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-31756b63/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-31756b63/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-31756b63/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-31756b63/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-31756b63/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-31756b63/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-31756b63/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-31756b63/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-31756b63/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-31756b63/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-31756b63/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-31756b63/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-31756b63/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-31756b63/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-31756b63/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-31756b63/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-31756b63/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-31756b63/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-31756b63/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-31756b63/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: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -688.909946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.909946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.909946 (E_RNA) where: Base-Base interactions energy: -245.746 where: short stacking energy: -240.552 Base-Backbone interact. energy: 5.463 local terms energy: -448.626696 where: bonds (distance) C4'-P energy: -129.755 bonds (distance) P-C4' energy: -126.386 flat angles C4'-P-C4' energy: -124.319 flat angles P-C4'-P energy: -71.809 tors. eta vs tors. theta energy: 3.643 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: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -624.046308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.046308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.046308 (E_RNA) where: Base-Base interactions energy: -210.621 where: short stacking energy: -175.522 Base-Backbone interact. energy: 2.304 local terms energy: -415.729491 where: bonds (distance) C4'-P energy: -131.885 bonds (distance) P-C4' energy: -143.697 flat angles C4'-P-C4' energy: -106.791 flat angles P-C4'-P energy: -59.308 tors. eta vs tors. theta energy: 25.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -699.878983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.878983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.878983 (E_RNA) where: Base-Base interactions energy: -240.275 where: short stacking energy: -226.910 Base-Backbone interact. energy: 2.140 local terms energy: -461.743751 where: bonds (distance) C4'-P energy: -133.331 bonds (distance) P-C4' energy: -131.792 flat angles C4'-P-C4' energy: -129.368 flat angles P-C4'-P energy: -76.345 tors. eta vs tors. theta energy: 9.092 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: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -607.830197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.830197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.830197 (E_RNA) where: Base-Base interactions energy: -215.131 where: short stacking energy: -187.172 Base-Backbone interact. energy: -0.232 local terms energy: -392.466713 where: bonds (distance) C4'-P energy: -132.200 bonds (distance) P-C4' energy: -136.470 flat angles C4'-P-C4' energy: -104.387 flat angles P-C4'-P energy: -39.832 tors. eta vs tors. theta energy: 20.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -658.324161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.324161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.324161 (E_RNA) where: Base-Base interactions energy: -245.083 where: short stacking energy: -218.288 Base-Backbone interact. energy: 1.327 local terms energy: -414.568832 where: bonds (distance) C4'-P energy: -119.330 bonds (distance) P-C4' energy: -129.944 flat angles C4'-P-C4' energy: -104.482 flat angles P-C4'-P energy: -71.621 tors. eta vs tors. theta energy: 10.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -634.717000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.717000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.717000 (E_RNA) where: Base-Base interactions energy: -205.246 where: short stacking energy: -188.268 Base-Backbone interact. energy: -1.262 local terms energy: -428.208609 where: bonds (distance) C4'-P energy: -132.898 bonds (distance) P-C4' energy: -123.137 flat angles C4'-P-C4' energy: -115.730 flat angles P-C4'-P energy: -76.688 tors. eta vs tors. theta energy: 20.245 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: 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: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1046.704767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.704767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.704767 (E_RNA) where: Base-Base interactions energy: -471.589 where: short stacking energy: -342.507 Base-Backbone interact. energy: 0.267 local terms energy: -575.382579 where: bonds (distance) C4'-P energy: -145.882 bonds (distance) P-C4' energy: -162.991 flat angles C4'-P-C4' energy: -132.428 flat angles P-C4'-P energy: -77.950 tors. eta vs tors. theta energy: -56.130 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: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -794.108759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.108759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.108759 (E_RNA) where: Base-Base interactions energy: -292.107 where: short stacking energy: -252.726 Base-Backbone interact. energy: -0.434 local terms energy: -501.567782 where: bonds (distance) C4'-P energy: -146.693 bonds (distance) P-C4' energy: -147.552 flat angles C4'-P-C4' energy: -117.814 flat angles P-C4'-P energy: -86.339 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 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: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -661.640146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.640146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.640146 (E_RNA) where: Base-Base interactions energy: -225.189 where: short stacking energy: -190.926 Base-Backbone interact. energy: -0.724 local terms energy: -435.726656 where: bonds (distance) C4'-P energy: -130.550 bonds (distance) P-C4' energy: -133.192 flat angles C4'-P-C4' energy: -108.819 flat angles P-C4'-P energy: -79.870 tors. eta vs tors. theta energy: 16.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -641.657447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.657447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.657447 (E_RNA) where: Base-Base interactions energy: -207.630 where: short stacking energy: -164.160 Base-Backbone interact. energy: 0.828 local terms energy: -434.855662 where: bonds (distance) C4'-P energy: -128.832 bonds (distance) P-C4' energy: -133.391 flat angles C4'-P-C4' energy: -115.288 flat angles P-C4'-P energy: -73.501 tors. eta vs tors. theta energy: 16.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 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: 8 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1038.953896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.953896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.953896 (E_RNA) where: Base-Base interactions energy: -498.931 where: short stacking energy: -332.044 Base-Backbone interact. energy: -3.011 local terms energy: -537.011749 where: bonds (distance) C4'-P energy: -160.703 bonds (distance) P-C4' energy: -146.517 flat angles C4'-P-C4' energy: -123.608 flat angles P-C4'-P energy: -76.800 tors. eta vs tors. theta energy: -29.384 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: 7, replica: 5 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -855.014102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.014102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.014102 (E_RNA) where: Base-Base interactions energy: -359.976 where: short stacking energy: -268.354 Base-Backbone interact. energy: 4.499 local terms energy: -499.536765 where: bonds (distance) C4'-P energy: -140.829 bonds (distance) P-C4' energy: -152.154 flat angles C4'-P-C4' energy: -124.950 flat angles P-C4'-P energy: -71.359 tors. eta vs tors. theta energy: -10.245 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: 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: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -674.114708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.114708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.114708 (E_RNA) where: Base-Base interactions energy: -209.263 where: short stacking energy: -170.799 Base-Backbone interact. energy: -0.457 local terms energy: -464.394213 where: bonds (distance) C4'-P energy: -134.660 bonds (distance) P-C4' energy: -147.366 flat angles C4'-P-C4' energy: -104.659 flat angles P-C4'-P energy: -92.993 tors. eta vs tors. theta energy: 15.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -686.220772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.220772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.220772 (E_RNA) where: Base-Base interactions energy: -254.679 where: short stacking energy: -193.065 Base-Backbone interact. energy: 10.176 local terms energy: -441.718023 where: bonds (distance) C4'-P energy: -132.879 bonds (distance) P-C4' energy: -149.670 flat angles C4'-P-C4' energy: -119.337 flat angles P-C4'-P energy: -67.123 tors. eta vs tors. theta energy: 27.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1029.204848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.204848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.204848 (E_RNA) where: Base-Base interactions energy: -494.202 where: short stacking energy: -325.794 Base-Backbone interact. energy: -0.523 local terms energy: -534.479762 where: bonds (distance) C4'-P energy: -125.959 bonds (distance) P-C4' energy: -155.196 flat angles C4'-P-C4' energy: -132.224 flat angles P-C4'-P energy: -92.756 tors. eta vs tors. theta energy: -28.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -817.590052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.590052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.590052 (E_RNA) where: Base-Base interactions energy: -291.961 where: short stacking energy: -222.124 Base-Backbone interact. energy: -2.095 local terms energy: -523.533444 where: bonds (distance) C4'-P energy: -146.380 bonds (distance) P-C4' energy: -174.560 flat angles C4'-P-C4' energy: -120.663 flat angles P-C4'-P energy: -74.592 tors. eta vs tors. theta energy: -7.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 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: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -719.727696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.727696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.727696 (E_RNA) where: Base-Base interactions energy: -298.444 where: short stacking energy: -236.448 Base-Backbone interact. energy: -0.700 local terms energy: -420.584161 where: bonds (distance) C4'-P energy: -131.620 bonds (distance) P-C4' energy: -134.951 flat angles C4'-P-C4' energy: -101.142 flat angles P-C4'-P energy: -65.854 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: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -671.252626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.252626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.252626 (E_RNA) where: Base-Base interactions energy: -259.507 where: short stacking energy: -185.862 Base-Backbone interact. energy: 7.155 local terms energy: -418.901013 where: bonds (distance) C4'-P energy: -136.447 bonds (distance) P-C4' energy: -145.171 flat angles C4'-P-C4' energy: -109.049 flat angles P-C4'-P energy: -46.856 tors. eta vs tors. theta energy: 18.621 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: 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: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1065.279818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.279818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.279818 (E_RNA) where: Base-Base interactions energy: -497.357 where: short stacking energy: -331.969 Base-Backbone interact. energy: -1.790 local terms energy: -566.133751 where: bonds (distance) C4'-P energy: -112.527 bonds (distance) P-C4' energy: -182.002 flat angles C4'-P-C4' energy: -146.902 flat angles P-C4'-P energy: -86.861 tors. eta vs tors. theta energy: -37.842 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: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -831.650771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.650771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.650771 (E_RNA) where: Base-Base interactions energy: -344.536 where: short stacking energy: -287.781 Base-Backbone interact. energy: -1.973 local terms energy: -485.141778 where: bonds (distance) C4'-P energy: -117.239 bonds (distance) P-C4' energy: -156.915 flat angles C4'-P-C4' energy: -128.752 flat angles P-C4'-P energy: -76.917 tors. eta vs tors. theta energy: -5.318 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: 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: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -680.104414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.104414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.104414 (E_RNA) where: Base-Base interactions energy: -215.586 where: short stacking energy: -195.184 Base-Backbone interact. energy: -2.010 local terms energy: -462.508148 where: bonds (distance) C4'-P energy: -153.781 bonds (distance) P-C4' energy: -146.848 flat angles C4'-P-C4' energy: -113.468 flat angles P-C4'-P energy: -76.321 tors. eta vs tors. theta energy: 27.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -667.817189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.817189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.817189 (E_RNA) where: Base-Base interactions energy: -240.464 where: short stacking energy: -166.224 Base-Backbone interact. energy: -2.134 local terms energy: -425.218621 where: bonds (distance) C4'-P energy: -137.552 bonds (distance) P-C4' energy: -145.364 flat angles C4'-P-C4' energy: -98.605 flat angles P-C4'-P energy: -67.132 tors. eta vs tors. theta energy: 23.435 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: 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: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1155.625190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.625190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.625190 (E_RNA) where: Base-Base interactions energy: -593.743 where: short stacking energy: -344.185 Base-Backbone interact. energy: -0.184 local terms energy: -561.698507 where: bonds (distance) C4'-P energy: -155.524 bonds (distance) P-C4' energy: -135.804 flat angles C4'-P-C4' energy: -151.126 flat angles P-C4'-P energy: -73.910 tors. eta vs tors. theta energy: -45.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -812.614964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.614964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.614964 (E_RNA) where: Base-Base interactions energy: -307.108 where: short stacking energy: -246.415 Base-Backbone interact. energy: -1.232 local terms energy: -504.275440 where: bonds (distance) C4'-P energy: -144.469 bonds (distance) P-C4' energy: -163.977 flat angles C4'-P-C4' energy: -129.139 flat angles P-C4'-P energy: -62.342 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: 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: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -690.226867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.226867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.226867 (E_RNA) where: Base-Base interactions energy: -230.342 where: short stacking energy: -178.382 Base-Backbone interact. energy: -1.030 local terms energy: -458.854350 where: bonds (distance) C4'-P energy: -148.759 bonds (distance) P-C4' energy: -164.853 flat angles C4'-P-C4' energy: -116.426 flat angles P-C4'-P energy: -55.368 tors. eta vs tors. theta energy: 26.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -629.193000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.193000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.193000 (E_RNA) where: Base-Base interactions energy: -199.736 where: short stacking energy: -178.296 Base-Backbone interact. energy: -1.963 local terms energy: -427.493693 where: bonds (distance) C4'-P energy: -139.689 bonds (distance) P-C4' energy: -143.063 flat angles C4'-P-C4' energy: -97.838 flat angles P-C4'-P energy: -63.180 tors. eta vs tors. theta energy: 16.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: 8 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1379.730324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.730324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.730324 (E_RNA) where: Base-Base interactions energy: -773.445 where: short stacking energy: -390.371 Base-Backbone interact. energy: -1.554 local terms energy: -604.731162 where: bonds (distance) C4'-P energy: -134.472 bonds (distance) P-C4' energy: -142.643 flat angles C4'-P-C4' energy: -158.429 flat angles P-C4'-P energy: -94.184 tors. eta vs tors. theta energy: -75.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1138.533606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.533606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.533606 (E_RNA) where: Base-Base interactions energy: -603.209 where: short stacking energy: -357.943 Base-Backbone interact. energy: 6.168 local terms energy: -541.492017 where: bonds (distance) C4'-P energy: -147.640 bonds (distance) P-C4' energy: -142.844 flat angles C4'-P-C4' energy: -117.021 flat angles P-C4'-P energy: -74.954 tors. eta vs tors. theta energy: -59.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 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: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -747.015468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.015468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.015468 (E_RNA) where: Base-Base interactions energy: -263.211 where: short stacking energy: -180.839 Base-Backbone interact. energy: -0.968 local terms energy: -482.836267 where: bonds (distance) C4'-P energy: -151.886 bonds (distance) P-C4' energy: -142.327 flat angles C4'-P-C4' energy: -108.132 flat angles P-C4'-P energy: -91.290 tors. eta vs tors. theta energy: 10.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -791.730849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.730849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.730849 (E_RNA) where: Base-Base interactions energy: -302.391 where: short stacking energy: -213.785 Base-Backbone interact. energy: 0.286 local terms energy: -489.625567 where: bonds (distance) C4'-P energy: -135.953 bonds (distance) P-C4' energy: -144.396 flat angles C4'-P-C4' energy: -127.807 flat angles P-C4'-P energy: -68.115 tors. eta vs tors. theta energy: -13.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -606.249015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.249015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.249015 (E_RNA) where: Base-Base interactions energy: -213.451 where: short stacking energy: -173.406 Base-Backbone interact. energy: 5.176 local terms energy: -397.974177 where: bonds (distance) C4'-P energy: -130.279 bonds (distance) P-C4' energy: -155.370 flat angles C4'-P-C4' energy: -106.612 flat angles P-C4'-P energy: -43.125 tors. eta vs tors. theta energy: 37.412 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: 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: 8 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1557.345280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.345280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.345280 (E_RNA) where: Base-Base interactions energy: -898.978 where: short stacking energy: -533.397 Base-Backbone interact. energy: 1.922 local terms energy: -660.289710 where: bonds (distance) C4'-P energy: -139.932 bonds (distance) P-C4' energy: -152.384 flat angles C4'-P-C4' energy: -165.871 flat angles P-C4'-P energy: -93.404 tors. eta vs tors. theta energy: -108.699 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: 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: 3 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1245.684895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.684895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.684895 (E_RNA) where: Base-Base interactions energy: -672.954 where: short stacking energy: -373.362 Base-Backbone interact. energy: -3.861 local terms energy: -568.870399 where: bonds (distance) C4'-P energy: -165.015 bonds (distance) P-C4' energy: -150.352 flat angles C4'-P-C4' energy: -150.343 flat angles P-C4'-P energy: -61.941 tors. eta vs tors. theta energy: -41.220 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: 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: 5 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -750.133379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.133379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.133379 (E_RNA) where: Base-Base interactions energy: -291.832 where: short stacking energy: -243.587 Base-Backbone interact. energy: 0.696 local terms energy: -458.997029 where: bonds (distance) C4'-P energy: -127.396 bonds (distance) P-C4' energy: -142.259 flat angles C4'-P-C4' energy: -129.740 flat angles P-C4'-P energy: -56.469 tors. eta vs tors. theta energy: -3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -709.135339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.135339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.135339 (E_RNA) where: Base-Base interactions energy: -284.418 where: short stacking energy: -203.114 Base-Backbone interact. energy: 1.872 local terms energy: -426.588767 where: bonds (distance) C4'-P energy: -125.319 bonds (distance) P-C4' energy: -144.600 flat angles C4'-P-C4' energy: -119.112 flat angles P-C4'-P energy: -56.109 tors. eta vs tors. theta energy: 18.551 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: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -596.669205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.669205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.669205 (E_RNA) where: Base-Base interactions energy: -202.864 where: short stacking energy: -143.953 Base-Backbone interact. energy: 0.126 local terms energy: -393.931433 where: bonds (distance) C4'-P energy: -131.203 bonds (distance) P-C4' energy: -141.048 flat angles C4'-P-C4' energy: -97.675 flat angles P-C4'-P energy: -53.188 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: 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: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1668.592320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.592320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.592320 (E_RNA) where: Base-Base interactions energy: -965.169 where: short stacking energy: -551.986 Base-Backbone interact. energy: -2.473 local terms energy: -700.950492 where: bonds (distance) C4'-P energy: -153.579 bonds (distance) P-C4' energy: -162.304 flat angles C4'-P-C4' energy: -167.867 flat angles P-C4'-P energy: -98.282 tors. eta vs tors. theta energy: -118.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1521.809723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.809723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.809723 (E_RNA) where: Base-Base interactions energy: -826.141 where: short stacking energy: -462.644 Base-Backbone interact. energy: -2.436 local terms energy: -693.232252 where: bonds (distance) C4'-P energy: -145.567 bonds (distance) P-C4' energy: -161.362 flat angles C4'-P-C4' energy: -161.177 flat angles P-C4'-P energy: -125.466 tors. eta vs tors. theta energy: -99.661 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: 5, replica: 3 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1501.114111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.114111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.114111 (E_RNA) where: Base-Base interactions energy: -873.914 where: short stacking energy: -477.744 Base-Backbone interact. energy: -0.534 local terms energy: -626.666607 where: bonds (distance) C4'-P energy: -151.091 bonds (distance) P-C4' energy: -142.247 flat angles C4'-P-C4' energy: -156.284 flat angles P-C4'-P energy: -86.530 tors. eta vs tors. theta energy: -90.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1013.035131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.035131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.035131 (E_RNA) where: Base-Base interactions energy: -458.231 where: short stacking energy: -335.304 Base-Backbone interact. energy: 1.857 local terms energy: -556.661651 where: bonds (distance) C4'-P energy: -149.938 bonds (distance) P-C4' energy: -123.323 flat angles C4'-P-C4' energy: -139.617 flat angles P-C4'-P energy: -87.634 tors. eta vs tors. theta energy: -56.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 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: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -747.523320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.523320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.523320 (E_RNA) where: Base-Base interactions energy: -255.450 where: short stacking energy: -219.960 Base-Backbone interact. energy: -2.263 local terms energy: -489.810293 where: bonds (distance) C4'-P energy: -144.974 bonds (distance) P-C4' energy: -137.473 flat angles C4'-P-C4' energy: -113.595 flat angles P-C4'-P energy: -81.407 tors. eta vs tors. theta energy: -12.360 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: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -787.651145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.651145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.651145 (E_RNA) where: Base-Base interactions energy: -350.829 where: short stacking energy: -227.999 Base-Backbone interact. energy: -0.436 local terms energy: -436.386479 where: bonds (distance) C4'-P energy: -114.600 bonds (distance) P-C4' energy: -137.431 flat angles C4'-P-C4' energy: -107.315 flat angles P-C4'-P energy: -84.925 tors. eta vs tors. theta energy: 7.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -601.275082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.275082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.275082 (E_RNA) where: Base-Base interactions energy: -207.019 where: short stacking energy: -127.649 Base-Backbone interact. energy: 2.762 local terms energy: -397.017802 where: bonds (distance) C4'-P energy: -115.705 bonds (distance) P-C4' energy: -138.929 flat angles C4'-P-C4' energy: -106.224 flat angles P-C4'-P energy: -78.924 tors. eta vs tors. theta energy: 42.764 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: 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: 7 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1865.829356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.829356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.829356 (E_RNA) where: Base-Base interactions energy: -1104.765 where: short stacking energy: -595.074 Base-Backbone interact. energy: -5.004 local terms energy: -756.059640 where: bonds (distance) C4'-P energy: -165.093 bonds (distance) P-C4' energy: -154.678 flat angles C4'-P-C4' energy: -173.982 flat angles P-C4'-P energy: -112.590 tors. eta vs tors. theta energy: -149.716 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: 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: 8 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1583.184662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.184662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.184662 (E_RNA) where: Base-Base interactions energy: -943.848 where: short stacking energy: -520.336 Base-Backbone interact. energy: -2.537 local terms energy: -636.799799 where: bonds (distance) C4'-P energy: -136.613 bonds (distance) P-C4' energy: -132.556 flat angles C4'-P-C4' energy: -169.626 flat angles P-C4'-P energy: -77.630 tors. eta vs tors. theta energy: -120.376 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: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1466.666384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.666384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.666384 (E_RNA) where: Base-Base interactions energy: -866.406 where: short stacking energy: -449.666 Base-Backbone interact. energy: -0.004 local terms energy: -600.256248 where: bonds (distance) C4'-P energy: -138.048 bonds (distance) P-C4' energy: -145.778 flat angles C4'-P-C4' energy: -140.498 flat angles P-C4'-P energy: -94.629 tors. eta vs tors. theta energy: -81.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -908.568056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.568056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.568056 (E_RNA) where: Base-Base interactions energy: -372.533 where: short stacking energy: -280.840 Base-Backbone interact. energy: -1.244 local terms energy: -534.791772 where: bonds (distance) C4'-P energy: -145.091 bonds (distance) P-C4' energy: -138.409 flat angles C4'-P-C4' energy: -130.865 flat angles P-C4'-P energy: -88.951 tors. eta vs tors. theta energy: -31.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -868.518717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.518717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.518717 (E_RNA) where: Base-Base interactions energy: -377.117 where: short stacking energy: -240.131 Base-Backbone interact. energy: 5.069 local terms energy: -496.470930 where: bonds (distance) C4'-P energy: -144.696 bonds (distance) P-C4' energy: -141.836 flat angles C4'-P-C4' energy: -112.288 flat angles P-C4'-P energy: -90.147 tors. eta vs tors. theta energy: -7.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -704.631801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.631801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.631801 (E_RNA) where: Base-Base interactions energy: -262.237 where: short stacking energy: -202.274 Base-Backbone interact. energy: -0.183 local terms energy: -442.212073 where: bonds (distance) C4'-P energy: -124.745 bonds (distance) P-C4' energy: -155.161 flat angles C4'-P-C4' energy: -106.205 flat angles P-C4'-P energy: -75.083 tors. eta vs tors. theta energy: 18.982 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: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -614.622574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.622574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.622574 (E_RNA) where: Base-Base interactions energy: -214.742 where: short stacking energy: -187.432 Base-Backbone interact. energy: 1.673 local terms energy: -401.553548 where: bonds (distance) C4'-P energy: -110.808 bonds (distance) P-C4' energy: -136.479 flat angles C4'-P-C4' energy: -89.896 flat angles P-C4'-P energy: -72.353 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: 1, replica: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1920.510378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.510378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.510378 (E_RNA) where: Base-Base interactions energy: -1120.049 where: short stacking energy: -657.520 Base-Backbone interact. energy: -4.248 local terms energy: -796.213669 where: bonds (distance) C4'-P energy: -144.721 bonds (distance) P-C4' energy: -177.580 flat angles C4'-P-C4' energy: -183.834 flat angles P-C4'-P energy: -99.443 tors. eta vs tors. theta energy: -190.635 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: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1860.130729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.130729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.130729 (E_RNA) where: Base-Base interactions energy: -1122.850 where: short stacking energy: -621.695 Base-Backbone interact. energy: -4.257 local terms energy: -733.024402 where: bonds (distance) C4'-P energy: -156.304 bonds (distance) P-C4' energy: -164.415 flat angles C4'-P-C4' energy: -165.891 flat angles P-C4'-P energy: -106.667 tors. eta vs tors. theta energy: -139.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1756.334228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.334228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.334228 (E_RNA) where: Base-Base interactions energy: -1036.954 where: short stacking energy: -540.960 Base-Backbone interact. energy: 2.179 local terms energy: -721.559080 where: bonds (distance) C4'-P energy: -161.978 bonds (distance) P-C4' energy: -166.966 flat angles C4'-P-C4' energy: -164.755 flat angles P-C4'-P energy: -117.625 tors. eta vs tors. theta energy: -110.235 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: 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: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1514.118810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.118810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.118810 (E_RNA) where: Base-Base interactions energy: -872.126 where: short stacking energy: -465.504 Base-Backbone interact. energy: -1.129 local terms energy: -640.863894 where: bonds (distance) C4'-P energy: -139.200 bonds (distance) P-C4' energy: -163.534 flat angles C4'-P-C4' energy: -137.656 flat angles P-C4'-P energy: -104.575 tors. eta vs tors. theta energy: -95.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -898.904080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.904080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.904080 (E_RNA) where: Base-Base interactions energy: -376.397 where: short stacking energy: -302.527 Base-Backbone interact. energy: -0.266 local terms energy: -522.241002 where: bonds (distance) C4'-P energy: -133.577 bonds (distance) P-C4' energy: -172.072 flat angles C4'-P-C4' energy: -124.820 flat angles P-C4'-P energy: -71.942 tors. eta vs tors. theta energy: -19.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 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: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -882.314284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.314284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.314284 (E_RNA) where: Base-Base interactions energy: -397.680 where: short stacking energy: -248.314 Base-Backbone interact. energy: -3.978 local terms energy: -480.655955 where: bonds (distance) C4'-P energy: -126.286 bonds (distance) P-C4' energy: -142.911 flat angles C4'-P-C4' energy: -118.023 flat angles P-C4'-P energy: -80.710 tors. eta vs tors. theta energy: -12.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -663.784360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.784360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.784360 (E_RNA) where: Base-Base interactions energy: -239.729 where: short stacking energy: -164.110 Base-Backbone interact. energy: 0.692 local terms energy: -424.747388 where: bonds (distance) C4'-P energy: -136.847 bonds (distance) P-C4' energy: -148.843 flat angles C4'-P-C4' energy: -118.813 flat angles P-C4'-P energy: -67.990 tors. eta vs tors. theta energy: 47.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -597.778439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.778439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.778439 (E_RNA) where: Base-Base interactions energy: -212.750 where: short stacking energy: -161.496 Base-Backbone interact. energy: 2.594 local terms energy: -387.622653 where: bonds (distance) C4'-P energy: -130.784 bonds (distance) P-C4' energy: -133.553 flat angles C4'-P-C4' energy: -112.185 flat angles P-C4'-P energy: -32.398 tors. eta vs tors. theta energy: 21.297 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: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1928.797202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.797202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.797202 (E_RNA) where: Base-Base interactions energy: -1137.576 where: short stacking energy: -665.946 Base-Backbone interact. energy: -1.807 local terms energy: -789.414718 where: bonds (distance) C4'-P energy: -162.519 bonds (distance) P-C4' energy: -162.026 flat angles C4'-P-C4' energy: -184.805 flat angles P-C4'-P energy: -97.566 tors. eta vs tors. theta energy: -182.499 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: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1940.586752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.586752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.586752 (E_RNA) where: Base-Base interactions energy: -1148.384 where: short stacking energy: -616.611 Base-Backbone interact. energy: -3.593 local terms energy: -788.610226 where: bonds (distance) C4'-P energy: -174.705 bonds (distance) P-C4' energy: -156.485 flat angles C4'-P-C4' energy: -177.782 flat angles P-C4'-P energy: -104.913 tors. eta vs tors. theta energy: -174.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1836.850763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.850763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.850763 (E_RNA) where: Base-Base interactions energy: -1088.035 where: short stacking energy: -580.855 Base-Backbone interact. energy: -2.679 local terms energy: -746.136628 where: bonds (distance) C4'-P energy: -144.455 bonds (distance) P-C4' energy: -153.106 flat angles C4'-P-C4' energy: -174.747 flat angles P-C4'-P energy: -114.064 tors. eta vs tors. theta energy: -159.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1702.388143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.388143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.388143 (E_RNA) where: Base-Base interactions energy: -1018.811 where: short stacking energy: -529.376 Base-Backbone interact. energy: -3.518 local terms energy: -680.059337 where: bonds (distance) C4'-P energy: -124.140 bonds (distance) P-C4' energy: -184.268 flat angles C4'-P-C4' energy: -158.516 flat angles P-C4'-P energy: -102.407 tors. eta vs tors. theta energy: -110.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1361.417831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.417831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.417831 (E_RNA) where: Base-Base interactions energy: -739.531 where: short stacking energy: -429.609 Base-Backbone interact. energy: -2.585 local terms energy: -619.301746 where: bonds (distance) C4'-P energy: -138.800 bonds (distance) P-C4' energy: -139.538 flat angles C4'-P-C4' energy: -165.667 flat angles P-C4'-P energy: -95.534 tors. eta vs tors. theta energy: -79.763 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: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -952.663566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.663566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.663566 (E_RNA) where: Base-Base interactions energy: -427.199 where: short stacking energy: -307.600 Base-Backbone interact. energy: 2.967 local terms energy: -528.432071 where: bonds (distance) C4'-P energy: -142.174 bonds (distance) P-C4' energy: -133.644 flat angles C4'-P-C4' energy: -127.623 flat angles P-C4'-P energy: -98.566 tors. eta vs tors. theta energy: -26.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -820.804832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.804832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.804832 (E_RNA) where: Base-Base interactions energy: -330.501 where: short stacking energy: -286.562 Base-Backbone interact. energy: -3.170 local terms energy: -487.133750 where: bonds (distance) C4'-P energy: -137.304 bonds (distance) P-C4' energy: -129.615 flat angles C4'-P-C4' energy: -152.732 flat angles P-C4'-P energy: -62.726 tors. eta vs tors. theta energy: -4.756 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: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -868.721004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.721004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.721004 (E_RNA) where: Base-Base interactions energy: -389.815 where: short stacking energy: -267.537 Base-Backbone interact. energy: -1.852 local terms energy: -477.054824 where: bonds (distance) C4'-P energy: -137.737 bonds (distance) P-C4' energy: -134.500 flat angles C4'-P-C4' energy: -117.046 flat angles P-C4'-P energy: -81.198 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: 9, replica: 5 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -699.930119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.930119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.930119 (E_RNA) where: Base-Base interactions energy: -287.098 where: short stacking energy: -196.295 Base-Backbone interact. energy: -3.838 local terms energy: -408.993861 where: bonds (distance) C4'-P energy: -111.593 bonds (distance) P-C4' energy: -139.901 flat angles C4'-P-C4' energy: -113.107 flat angles P-C4'-P energy: -80.101 tors. eta vs tors. theta energy: 35.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -625.860281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.860281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.860281 (E_RNA) where: Base-Base interactions energy: -212.497 where: short stacking energy: -156.364 Base-Backbone interact. energy: 2.442 local terms energy: -415.805422 where: bonds (distance) C4'-P energy: -127.605 bonds (distance) P-C4' energy: -140.069 flat angles C4'-P-C4' energy: -121.285 flat angles P-C4'-P energy: -57.249 tors. eta vs tors. theta energy: 30.402 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: 1, replica: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1971.964895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.964895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.964895 (E_RNA) where: Base-Base interactions energy: -1186.762 where: short stacking energy: -650.267 Base-Backbone interact. energy: -4.303 local terms energy: -780.900039 where: bonds (distance) C4'-P energy: -167.672 bonds (distance) P-C4' energy: -165.436 flat angles C4'-P-C4' energy: -169.917 flat angles P-C4'-P energy: -102.598 tors. eta vs tors. theta energy: -175.276 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: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1780.290470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.290470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.290470 (E_RNA) where: Base-Base interactions energy: -1041.645 where: short stacking energy: -578.863 Base-Backbone interact. energy: -0.426 local terms energy: -738.219403 where: bonds (distance) C4'-P energy: -165.125 bonds (distance) P-C4' energy: -157.649 flat angles C4'-P-C4' energy: -163.733 flat angles P-C4'-P energy: -105.314 tors. eta vs tors. theta energy: -146.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1837.361589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.361589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.361589 (E_RNA) where: Base-Base interactions energy: -1101.876 where: short stacking energy: -557.044 Base-Backbone interact. energy: -2.914 local terms energy: -732.571655 where: bonds (distance) C4'-P energy: -152.435 bonds (distance) P-C4' energy: -157.148 flat angles C4'-P-C4' energy: -182.846 flat angles P-C4'-P energy: -108.776 tors. eta vs tors. theta energy: -131.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1705.980768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.980768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.980768 (E_RNA) where: Base-Base interactions energy: -1061.681 where: short stacking energy: -489.433 Base-Backbone interact. energy: -4.301 local terms energy: -639.998896 where: bonds (distance) C4'-P energy: -143.469 bonds (distance) P-C4' energy: -157.841 flat angles C4'-P-C4' energy: -136.186 flat angles P-C4'-P energy: -104.250 tors. eta vs tors. theta energy: -98.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1317.695352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.695352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.695352 (E_RNA) where: Base-Base interactions energy: -707.730 where: short stacking energy: -384.439 Base-Backbone interact. energy: -0.896 local terms energy: -609.069564 where: bonds (distance) C4'-P energy: -148.549 bonds (distance) P-C4' energy: -156.065 flat angles C4'-P-C4' energy: -147.772 flat angles P-C4'-P energy: -93.232 tors. eta vs tors. theta energy: -63.452 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: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1009.248578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.248578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.248578 (E_RNA) where: Base-Base interactions energy: -438.572 where: short stacking energy: -315.336 Base-Backbone interact. energy: -0.839 local terms energy: -569.837555 where: bonds (distance) C4'-P energy: -154.133 bonds (distance) P-C4' energy: -149.992 flat angles C4'-P-C4' energy: -140.845 flat angles P-C4'-P energy: -100.325 tors. eta vs tors. theta energy: -24.543 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: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1050.993073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.993073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.993073 (E_RNA) where: Base-Base interactions energy: -567.455 where: short stacking energy: -318.034 Base-Backbone interact. energy: 2.163 local terms energy: -485.701596 where: bonds (distance) C4'-P energy: -139.681 bonds (distance) P-C4' energy: -144.107 flat angles C4'-P-C4' energy: -127.871 flat angles P-C4'-P energy: -45.596 tors. eta vs tors. theta energy: -28.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -778.362128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.362128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.362128 (E_RNA) where: Base-Base interactions energy: -290.413 where: short stacking energy: -235.529 Base-Backbone interact. energy: -2.358 local terms energy: -485.590905 where: bonds (distance) C4'-P energy: -136.249 bonds (distance) P-C4' energy: -139.053 flat angles C4'-P-C4' energy: -134.888 flat angles P-C4'-P energy: -74.254 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -743.523137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.523137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.523137 (E_RNA) where: Base-Base interactions energy: -270.259 where: short stacking energy: -189.427 Base-Backbone interact. energy: 3.352 local terms energy: -476.616192 where: bonds (distance) C4'-P energy: -126.648 bonds (distance) P-C4' energy: -139.656 flat angles C4'-P-C4' energy: -141.562 flat angles P-C4'-P energy: -76.892 tors. eta vs tors. theta energy: 8.140 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: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -680.542353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.542353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.542353 (E_RNA) where: Base-Base interactions energy: -276.757 where: short stacking energy: -193.075 Base-Backbone interact. energy: 2.271 local terms energy: -406.056249 where: bonds (distance) C4'-P energy: -122.802 bonds (distance) P-C4' energy: -139.871 flat angles C4'-P-C4' energy: -123.108 flat angles P-C4'-P energy: -36.469 tors. eta vs tors. theta energy: 16.193 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: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2062.088000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.088000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.088000 (E_RNA) where: Base-Base interactions energy: -1243.816 where: short stacking energy: -672.952 Base-Backbone interact. energy: -4.690 local terms energy: -813.581892 where: bonds (distance) C4'-P energy: -159.265 bonds (distance) P-C4' energy: -176.703 flat angles C4'-P-C4' energy: -171.749 flat angles P-C4'-P energy: -117.696 tors. eta vs tors. theta energy: -188.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1934.000057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.000057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.000057 (E_RNA) where: Base-Base interactions energy: -1202.298 where: short stacking energy: -589.167 Base-Backbone interact. energy: -1.782 local terms energy: -729.920288 where: bonds (distance) C4'-P energy: -154.056 bonds (distance) P-C4' energy: -155.833 flat angles C4'-P-C4' energy: -174.108 flat angles P-C4'-P energy: -112.621 tors. eta vs tors. theta energy: -133.303 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: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1678.853429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.853429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.853429 (E_RNA) where: Base-Base interactions energy: -964.482 where: short stacking energy: -546.899 Base-Backbone interact. energy: -1.314 local terms energy: -713.056676 where: bonds (distance) C4'-P energy: -155.212 bonds (distance) P-C4' energy: -148.996 flat angles C4'-P-C4' energy: -153.708 flat angles P-C4'-P energy: -105.351 tors. eta vs tors. theta energy: -149.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1737.878058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.878058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.878058 (E_RNA) where: Base-Base interactions energy: -1051.514 where: short stacking energy: -545.728 Base-Backbone interact. energy: -3.264 local terms energy: -683.100307 where: bonds (distance) C4'-P energy: -146.809 bonds (distance) P-C4' energy: -157.973 flat angles C4'-P-C4' energy: -152.302 flat angles P-C4'-P energy: -93.816 tors. eta vs tors. theta energy: -132.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1405.474259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.474259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.474259 (E_RNA) where: Base-Base interactions energy: -766.606 where: short stacking energy: -458.676 Base-Backbone interact. energy: -2.386 local terms energy: -636.482752 where: bonds (distance) C4'-P energy: -153.349 bonds (distance) P-C4' energy: -156.951 flat angles C4'-P-C4' energy: -153.878 flat angles P-C4'-P energy: -89.467 tors. eta vs tors. theta energy: -82.839 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: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1163.516002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.516002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.516002 (E_RNA) where: Base-Base interactions energy: -591.520 where: short stacking energy: -333.655 Base-Backbone interact. energy: -4.126 local terms energy: -567.870403 where: bonds (distance) C4'-P energy: -136.241 bonds (distance) P-C4' energy: -167.063 flat angles C4'-P-C4' energy: -134.637 flat angles P-C4'-P energy: -90.840 tors. eta vs tors. theta energy: -39.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -971.781216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.781216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.781216 (E_RNA) where: Base-Base interactions energy: -439.723 where: short stacking energy: -284.745 Base-Backbone interact. energy: -1.806 local terms energy: -530.252162 where: bonds (distance) C4'-P energy: -141.739 bonds (distance) P-C4' energy: -152.662 flat angles C4'-P-C4' energy: -139.774 flat angles P-C4'-P energy: -80.888 tors. eta vs tors. theta energy: -15.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -844.098168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.098168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.098168 (E_RNA) where: Base-Base interactions energy: -328.338 where: short stacking energy: -242.832 Base-Backbone interact. energy: -3.255 local terms energy: -512.505365 where: bonds (distance) C4'-P energy: -147.854 bonds (distance) P-C4' energy: -145.980 flat angles C4'-P-C4' energy: -107.887 flat angles P-C4'-P energy: -88.155 tors. eta vs tors. theta energy: -22.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -689.580208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.580208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.580208 (E_RNA) where: Base-Base interactions energy: -259.910 where: short stacking energy: -175.440 Base-Backbone interact. energy: -0.758 local terms energy: -428.913022 where: bonds (distance) C4'-P energy: -146.142 bonds (distance) P-C4' energy: -134.802 flat angles C4'-P-C4' energy: -108.766 flat angles P-C4'-P energy: -71.412 tors. eta vs tors. theta energy: 32.209 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: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -647.784156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.784156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.784156 (E_RNA) where: Base-Base interactions energy: -233.416 where: short stacking energy: -160.584 Base-Backbone interact. energy: -1.630 local terms energy: -412.738059 where: bonds (distance) C4'-P energy: -146.564 bonds (distance) P-C4' energy: -145.132 flat angles C4'-P-C4' energy: -113.155 flat angles P-C4'-P energy: -47.652 tors. eta vs tors. theta energy: 39.764 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: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2071.015299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.015299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.015299 (E_RNA) where: Base-Base interactions energy: -1290.918 where: short stacking energy: -693.347 Base-Backbone interact. energy: 2.133 local terms energy: -782.229679 where: bonds (distance) C4'-P energy: -161.021 bonds (distance) P-C4' energy: -158.407 flat angles C4'-P-C4' energy: -170.928 flat angles P-C4'-P energy: -122.773 tors. eta vs tors. theta energy: -169.101 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: 8 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2015.273507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.273507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.273507 (E_RNA) where: Base-Base interactions energy: -1257.771 where: short stacking energy: -607.990 Base-Backbone interact. energy: -6.690 local terms energy: -750.811808 where: bonds (distance) C4'-P energy: -158.174 bonds (distance) P-C4' energy: -169.811 flat angles C4'-P-C4' energy: -165.249 flat angles P-C4'-P energy: -101.182 tors. eta vs tors. theta energy: -156.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1845.569107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.569107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.569107 (E_RNA) where: Base-Base interactions energy: -1135.180 where: short stacking energy: -589.068 Base-Backbone interact. energy: 1.878 local terms energy: -712.266735 where: bonds (distance) C4'-P energy: -157.189 bonds (distance) P-C4' energy: -156.016 flat angles C4'-P-C4' energy: -150.947 flat angles P-C4'-P energy: -111.057 tors. eta vs tors. theta energy: -137.058 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: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1571.354510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.354510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.354510 (E_RNA) where: Base-Base interactions energy: -866.341 where: short stacking energy: -504.480 Base-Backbone interact. energy: -1.795 local terms energy: -703.218858 where: bonds (distance) C4'-P energy: -149.092 bonds (distance) P-C4' energy: -164.266 flat angles C4'-P-C4' energy: -166.882 flat angles P-C4'-P energy: -101.496 tors. eta vs tors. theta energy: -121.483 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: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1462.808181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.808181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.808181 (E_RNA) where: Base-Base interactions energy: -864.253 where: short stacking energy: -457.299 Base-Backbone interact. energy: -1.502 local terms energy: -597.053224 where: bonds (distance) C4'-P energy: -128.677 bonds (distance) P-C4' energy: -145.774 flat angles C4'-P-C4' energy: -130.556 flat angles P-C4'-P energy: -98.382 tors. eta vs tors. theta energy: -93.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1200.499080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.499080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.499080 (E_RNA) where: Base-Base interactions energy: -676.343 where: short stacking energy: -391.769 Base-Backbone interact. energy: 2.216 local terms energy: -526.372101 where: bonds (distance) C4'-P energy: -144.523 bonds (distance) P-C4' energy: -143.331 flat angles C4'-P-C4' energy: -126.422 flat angles P-C4'-P energy: -71.565 tors. eta vs tors. theta energy: -40.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1112.210551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.210551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.210551 (E_RNA) where: Base-Base interactions energy: -565.166 where: short stacking energy: -323.504 Base-Backbone interact. energy: -1.298 local terms energy: -545.746864 where: bonds (distance) C4'-P energy: -133.937 bonds (distance) P-C4' energy: -151.112 flat angles C4'-P-C4' energy: -138.621 flat angles P-C4'-P energy: -85.961 tors. eta vs tors. theta energy: -36.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -841.497429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.497429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.497429 (E_RNA) where: Base-Base interactions energy: -381.955 where: short stacking energy: -239.191 Base-Backbone interact. energy: -0.477 local terms energy: -459.064868 where: bonds (distance) C4'-P energy: -113.611 bonds (distance) P-C4' energy: -138.782 flat angles C4'-P-C4' energy: -128.548 flat angles P-C4'-P energy: -73.918 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -735.968139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.968139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.968139 (E_RNA) where: Base-Base interactions energy: -254.279 where: short stacking energy: -205.730 Base-Backbone interact. energy: 0.248 local terms energy: -481.937297 where: bonds (distance) C4'-P energy: -147.391 bonds (distance) P-C4' energy: -152.189 flat angles C4'-P-C4' energy: -116.170 flat angles P-C4'-P energy: -78.369 tors. eta vs tors. theta energy: 12.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -685.944533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.944533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.944533 (E_RNA) where: Base-Base interactions energy: -260.294 where: short stacking energy: -189.003 Base-Backbone interact. energy: -2.116 local terms energy: -423.534879 where: bonds (distance) C4'-P energy: -152.160 bonds (distance) P-C4' energy: -135.598 flat angles C4'-P-C4' energy: -92.828 flat angles P-C4'-P energy: -58.006 tors. eta vs tors. theta energy: 15.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2109.859321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.859321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.859321 (E_RNA) where: Base-Base interactions energy: -1308.824 where: short stacking energy: -654.850 Base-Backbone interact. energy: -0.287 local terms energy: -800.748759 where: bonds (distance) C4'-P energy: -163.921 bonds (distance) P-C4' energy: -173.457 flat angles C4'-P-C4' energy: -167.706 flat angles P-C4'-P energy: -123.240 tors. eta vs tors. theta energy: -172.425 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: 2, replica: 8 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2055.192890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.192890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.192890 (E_RNA) where: Base-Base interactions energy: -1283.377 where: short stacking energy: -624.330 Base-Backbone interact. energy: -0.424 local terms energy: -771.391621 where: bonds (distance) C4'-P energy: -156.649 bonds (distance) P-C4' energy: -174.459 flat angles C4'-P-C4' energy: -167.296 flat angles P-C4'-P energy: -109.976 tors. eta vs tors. theta energy: -163.012 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: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1927.269389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.269389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.269389 (E_RNA) where: Base-Base interactions energy: -1178.203 where: short stacking energy: -618.805 Base-Backbone interact. energy: -2.547 local terms energy: -746.519236 where: bonds (distance) C4'-P energy: -166.566 bonds (distance) P-C4' energy: -175.656 flat angles C4'-P-C4' energy: -150.508 flat angles P-C4'-P energy: -95.072 tors. eta vs tors. theta energy: -158.718 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: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1587.093439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.093439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.093439 (E_RNA) where: Base-Base interactions energy: -880.322 where: short stacking energy: -481.566 Base-Backbone interact. energy: -1.397 local terms energy: -705.374867 where: bonds (distance) C4'-P energy: -161.519 bonds (distance) P-C4' energy: -168.038 flat angles C4'-P-C4' energy: -155.215 flat angles P-C4'-P energy: -99.537 tors. eta vs tors. theta energy: -121.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1406.393138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.393138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.393138 (E_RNA) where: Base-Base interactions energy: -767.808 where: short stacking energy: -462.783 Base-Backbone interact. energy: -0.582 local terms energy: -638.003371 where: bonds (distance) C4'-P energy: -142.019 bonds (distance) P-C4' energy: -142.968 flat angles C4'-P-C4' energy: -159.942 flat angles P-C4'-P energy: -88.310 tors. eta vs tors. theta energy: -104.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1303.791647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.791647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.791647 (E_RNA) where: Base-Base interactions energy: -717.188 where: short stacking energy: -394.726 Base-Backbone interact. energy: 2.674 local terms energy: -589.278364 where: bonds (distance) C4'-P energy: -138.586 bonds (distance) P-C4' energy: -145.571 flat angles C4'-P-C4' energy: -161.011 flat angles P-C4'-P energy: -85.312 tors. eta vs tors. theta energy: -58.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1025.601120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.601120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.601120 (E_RNA) where: Base-Base interactions energy: -503.913 where: short stacking energy: -309.697 Base-Backbone interact. energy: -2.218 local terms energy: -519.469767 where: bonds (distance) C4'-P energy: -130.025 bonds (distance) P-C4' energy: -127.847 flat angles C4'-P-C4' energy: -145.494 flat angles P-C4'-P energy: -82.372 tors. eta vs tors. theta energy: -33.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -790.940526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.940526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.940526 (E_RNA) where: Base-Base interactions energy: -355.348 where: short stacking energy: -253.125 Base-Backbone interact. energy: 3.655 local terms energy: -439.247019 where: bonds (distance) C4'-P energy: -124.824 bonds (distance) P-C4' energy: -128.802 flat angles C4'-P-C4' energy: -109.770 flat angles P-C4'-P energy: -73.571 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -697.549930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.549930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.549930 (E_RNA) where: Base-Base interactions energy: -264.313 where: short stacking energy: -187.840 Base-Backbone interact. energy: 8.990 local terms energy: -442.227323 where: bonds (distance) C4'-P energy: -110.414 bonds (distance) P-C4' energy: -150.088 flat angles C4'-P-C4' energy: -106.993 flat angles P-C4'-P energy: -93.634 tors. eta vs tors. theta energy: 18.902 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: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -676.776437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.776437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.776437 (E_RNA) where: Base-Base interactions energy: -268.685 where: short stacking energy: -178.961 Base-Backbone interact. energy: 1.058 local terms energy: -409.149498 where: bonds (distance) C4'-P energy: -127.130 bonds (distance) P-C4' energy: -139.237 flat angles C4'-P-C4' energy: -103.216 flat angles P-C4'-P energy: -58.806 tors. eta vs tors. theta energy: 19.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2168.704764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.704764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.704764 (E_RNA) where: Base-Base interactions energy: -1346.981 where: short stacking energy: -686.689 Base-Backbone interact. energy: -2.206 local terms energy: -819.517943 where: bonds (distance) C4'-P energy: -164.868 bonds (distance) P-C4' energy: -174.118 flat angles C4'-P-C4' energy: -165.418 flat angles P-C4'-P energy: -132.243 tors. eta vs tors. theta energy: -182.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1997.120339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.120339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.120339 (E_RNA) where: Base-Base interactions energy: -1252.996 where: short stacking energy: -631.038 Base-Backbone interact. energy: -3.315 local terms energy: -740.809213 where: bonds (distance) C4'-P energy: -151.643 bonds (distance) P-C4' energy: -151.241 flat angles C4'-P-C4' energy: -170.578 flat angles P-C4'-P energy: -120.008 tors. eta vs tors. theta energy: -147.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1986.602324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.602324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.602324 (E_RNA) where: Base-Base interactions energy: -1251.795 where: short stacking energy: -596.720 Base-Backbone interact. energy: -2.825 local terms energy: -731.982119 where: bonds (distance) C4'-P energy: -155.625 bonds (distance) P-C4' energy: -162.913 flat angles C4'-P-C4' energy: -161.057 flat angles P-C4'-P energy: -119.155 tors. eta vs tors. theta energy: -133.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1622.698225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.698225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.698225 (E_RNA) where: Base-Base interactions energy: -977.236 where: short stacking energy: -476.206 Base-Backbone interact. energy: -0.498 local terms energy: -644.964244 where: bonds (distance) C4'-P energy: -144.668 bonds (distance) P-C4' energy: -163.028 flat angles C4'-P-C4' energy: -150.585 flat angles P-C4'-P energy: -83.663 tors. eta vs tors. theta energy: -103.020 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: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1357.747396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.747396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.747396 (E_RNA) where: Base-Base interactions energy: -730.394 where: short stacking energy: -424.861 Base-Backbone interact. energy: -1.747 local terms energy: -625.606012 where: bonds (distance) C4'-P energy: -153.494 bonds (distance) P-C4' energy: -158.524 flat angles C4'-P-C4' energy: -143.737 flat angles P-C4'-P energy: -89.061 tors. eta vs tors. theta energy: -80.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1378.963577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.963577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.963577 (E_RNA) where: Base-Base interactions energy: -786.718 where: short stacking energy: -404.382 Base-Backbone interact. energy: -4.194 local terms energy: -588.051257 where: bonds (distance) C4'-P energy: -150.356 bonds (distance) P-C4' energy: -151.295 flat angles C4'-P-C4' energy: -134.425 flat angles P-C4'-P energy: -76.579 tors. eta vs tors. theta energy: -75.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1069.249014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.249014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.249014 (E_RNA) where: Base-Base interactions energy: -525.536 where: short stacking energy: -338.709 Base-Backbone interact. energy: 4.905 local terms energy: -548.617683 where: bonds (distance) C4'-P energy: -143.540 bonds (distance) P-C4' energy: -154.398 flat angles C4'-P-C4' energy: -137.492 flat angles P-C4'-P energy: -76.592 tors. eta vs tors. theta energy: -36.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -818.973130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.973130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.973130 (E_RNA) where: Base-Base interactions energy: -354.577 where: short stacking energy: -237.867 Base-Backbone interact. energy: 5.179 local terms energy: -469.575194 where: bonds (distance) C4'-P energy: -134.759 bonds (distance) P-C4' energy: -131.757 flat angles C4'-P-C4' energy: -136.183 flat angles P-C4'-P energy: -59.376 tors. eta vs tors. theta energy: -7.501 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: 9, replica: 1 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -753.963147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.963147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.963147 (E_RNA) where: Base-Base interactions energy: -278.480 where: short stacking energy: -227.366 Base-Backbone interact. energy: -1.013 local terms energy: -474.470727 where: bonds (distance) C4'-P energy: -146.268 bonds (distance) P-C4' energy: -165.825 flat angles C4'-P-C4' energy: -123.579 flat angles P-C4'-P energy: -44.586 tors. eta vs tors. theta energy: 5.788 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: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -678.047835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.047835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.047835 (E_RNA) where: Base-Base interactions energy: -267.522 where: short stacking energy: -206.035 Base-Backbone interact. energy: 0.048 local terms energy: -410.573243 where: bonds (distance) C4'-P energy: -110.901 bonds (distance) P-C4' energy: -122.997 flat angles C4'-P-C4' energy: -115.233 flat angles P-C4'-P energy: -85.654 tors. eta vs tors. theta energy: 24.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2141.996715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.996715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.996715 (E_RNA) where: Base-Base interactions energy: -1326.760 where: short stacking energy: -662.877 Base-Backbone interact. energy: -2.107 local terms energy: -813.129614 where: bonds (distance) C4'-P energy: -163.128 bonds (distance) P-C4' energy: -166.297 flat angles C4'-P-C4' energy: -172.624 flat angles P-C4'-P energy: -124.717 tors. eta vs tors. theta energy: -186.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2142.236916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.236916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.236916 (E_RNA) where: Base-Base interactions energy: -1355.196 where: short stacking energy: -638.206 Base-Backbone interact. energy: -2.425 local terms energy: -784.615772 where: bonds (distance) C4'-P energy: -170.172 bonds (distance) P-C4' energy: -165.778 flat angles C4'-P-C4' energy: -174.290 flat angles P-C4'-P energy: -110.247 tors. eta vs tors. theta energy: -164.128 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: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1998.080336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.080336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.080336 (E_RNA) where: Base-Base interactions energy: -1228.697 where: short stacking energy: -584.239 Base-Backbone interact. energy: -4.418 local terms energy: -764.965733 where: bonds (distance) C4'-P energy: -167.629 bonds (distance) P-C4' energy: -165.963 flat angles C4'-P-C4' energy: -172.958 flat angles P-C4'-P energy: -104.258 tors. eta vs tors. theta energy: -154.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1635.094962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.094962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.094962 (E_RNA) where: Base-Base interactions energy: -976.170 where: short stacking energy: -494.135 Base-Backbone interact. energy: -0.752 local terms energy: -658.172700 where: bonds (distance) C4'-P energy: -157.855 bonds (distance) P-C4' energy: -147.755 flat angles C4'-P-C4' energy: -149.592 flat angles P-C4'-P energy: -83.969 tors. eta vs tors. theta energy: -119.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1340.303380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.303380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.303380 (E_RNA) where: Base-Base interactions energy: -741.608 where: short stacking energy: -391.005 Base-Backbone interact. energy: -4.583 local terms energy: -594.112722 where: bonds (distance) C4'-P energy: -137.890 bonds (distance) P-C4' energy: -161.245 flat angles C4'-P-C4' energy: -127.540 flat angles P-C4'-P energy: -88.993 tors. eta vs tors. theta energy: -78.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1392.487258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.487258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.487258 (E_RNA) where: Base-Base interactions energy: -799.685 where: short stacking energy: -430.899 Base-Backbone interact. energy: -1.668 local terms energy: -591.134853 where: bonds (distance) C4'-P energy: -133.414 bonds (distance) P-C4' energy: -144.143 flat angles C4'-P-C4' energy: -144.320 flat angles P-C4'-P energy: -95.565 tors. eta vs tors. theta energy: -73.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1044.853680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.853680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.853680 (E_RNA) where: Base-Base interactions energy: -504.289 where: short stacking energy: -320.095 Base-Backbone interact. energy: 2.085 local terms energy: -542.649653 where: bonds (distance) C4'-P energy: -134.689 bonds (distance) P-C4' energy: -142.659 flat angles C4'-P-C4' energy: -150.155 flat angles P-C4'-P energy: -87.221 tors. eta vs tors. theta energy: -27.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -826.784852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.784852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.784852 (E_RNA) where: Base-Base interactions energy: -331.419 where: short stacking energy: -237.448 Base-Backbone interact. energy: 0.393 local terms energy: -495.758901 where: bonds (distance) C4'-P energy: -124.637 bonds (distance) P-C4' energy: -155.548 flat angles C4'-P-C4' energy: -123.965 flat angles P-C4'-P energy: -88.443 tors. eta vs tors. theta energy: -3.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -838.905973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.905973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.905973 (E_RNA) where: Base-Base interactions energy: -387.560 where: short stacking energy: -272.640 Base-Backbone interact. energy: 1.501 local terms energy: -452.846840 where: bonds (distance) C4'-P energy: -130.941 bonds (distance) P-C4' energy: -132.750 flat angles C4'-P-C4' energy: -117.049 flat angles P-C4'-P energy: -59.941 tors. eta vs tors. theta energy: -12.166 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: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -622.849130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.849130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.849130 (E_RNA) where: Base-Base interactions energy: -227.570 where: short stacking energy: -167.749 Base-Backbone interact. energy: 11.089 local terms energy: -406.367835 where: bonds (distance) C4'-P energy: -135.784 bonds (distance) P-C4' energy: -144.153 flat angles C4'-P-C4' energy: -93.203 flat angles P-C4'-P energy: -77.810 tors. eta vs tors. theta energy: 44.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2176.200405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.200405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.200405 (E_RNA) where: Base-Base interactions energy: -1368.279 where: short stacking energy: -670.001 Base-Backbone interact. energy: -4.846 local terms energy: -803.076061 where: bonds (distance) C4'-P energy: -172.651 bonds (distance) P-C4' energy: -172.725 flat angles C4'-P-C4' energy: -170.490 flat angles P-C4'-P energy: -114.932 tors. eta vs tors. theta energy: -172.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2063.045588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.045588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.045588 (E_RNA) where: Base-Base interactions energy: -1279.842 where: short stacking energy: -602.808 Base-Backbone interact. energy: -1.636 local terms energy: -781.567684 where: bonds (distance) C4'-P energy: -168.053 bonds (distance) P-C4' energy: -156.722 flat angles C4'-P-C4' energy: -164.287 flat angles P-C4'-P energy: -123.530 tors. eta vs tors. theta energy: -168.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2033.079089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.079089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.079089 (E_RNA) where: Base-Base interactions energy: -1268.670 where: short stacking energy: -619.863 Base-Backbone interact. energy: 2.384 local terms energy: -766.793195 where: bonds (distance) C4'-P energy: -165.528 bonds (distance) P-C4' energy: -159.796 flat angles C4'-P-C4' energy: -174.696 flat angles P-C4'-P energy: -108.995 tors. eta vs tors. theta energy: -157.779 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: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1656.355094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.355094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.355094 (E_RNA) where: Base-Base interactions energy: -981.977 where: short stacking energy: -507.780 Base-Backbone interact. energy: -4.279 local terms energy: -670.099956 where: bonds (distance) C4'-P energy: -141.899 bonds (distance) P-C4' energy: -146.002 flat angles C4'-P-C4' energy: -158.644 flat angles P-C4'-P energy: -89.166 tors. eta vs tors. theta energy: -134.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1488.958570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.958570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.958570 (E_RNA) where: Base-Base interactions energy: -843.662 where: short stacking energy: -431.779 Base-Backbone interact. energy: 2.943 local terms energy: -648.239522 where: bonds (distance) C4'-P energy: -147.157 bonds (distance) P-C4' energy: -143.334 flat angles C4'-P-C4' energy: -157.677 flat angles P-C4'-P energy: -103.714 tors. eta vs tors. theta energy: -96.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1159.574246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.574246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.574246 (E_RNA) where: Base-Base interactions energy: -591.098 where: short stacking energy: -356.897 Base-Backbone interact. energy: -0.538 local terms energy: -567.938081 where: bonds (distance) C4'-P energy: -138.776 bonds (distance) P-C4' energy: -143.282 flat angles C4'-P-C4' energy: -137.247 flat angles P-C4'-P energy: -99.394 tors. eta vs tors. theta energy: -49.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1115.575304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.575304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.575304 (E_RNA) where: Base-Base interactions energy: -607.759 where: short stacking energy: -341.812 Base-Backbone interact. energy: -1.478 local terms energy: -506.338272 where: bonds (distance) C4'-P energy: -134.324 bonds (distance) P-C4' energy: -139.116 flat angles C4'-P-C4' energy: -105.657 flat angles P-C4'-P energy: -86.707 tors. eta vs tors. theta energy: -40.534 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: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -883.079824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.079824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.079824 (E_RNA) where: Base-Base interactions energy: -391.059 where: short stacking energy: -251.546 Base-Backbone interact. energy: 3.318 local terms energy: -495.338656 where: bonds (distance) C4'-P energy: -152.979 bonds (distance) P-C4' energy: -126.624 flat angles C4'-P-C4' energy: -120.365 flat angles P-C4'-P energy: -81.982 tors. eta vs tors. theta energy: -13.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -863.300467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.300467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.300467 (E_RNA) where: Base-Base interactions energy: -392.740 where: short stacking energy: -228.564 Base-Backbone interact. energy: -3.456 local terms energy: -467.104025 where: bonds (distance) C4'-P energy: -134.522 bonds (distance) P-C4' energy: -141.393 flat angles C4'-P-C4' energy: -93.034 flat angles P-C4'-P energy: -87.268 tors. eta vs tors. theta energy: -10.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -639.025149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.025149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.025149 (E_RNA) where: Base-Base interactions energy: -241.052 where: short stacking energy: -171.917 Base-Backbone interact. energy: 1.214 local terms energy: -399.187281 where: bonds (distance) C4'-P energy: -137.082 bonds (distance) P-C4' energy: -139.780 flat angles C4'-P-C4' energy: -128.085 flat angles P-C4'-P energy: -42.283 tors. eta vs tors. theta energy: 48.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2308.892047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.892047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.892047 (E_RNA) where: Base-Base interactions energy: -1501.840 where: short stacking energy: -700.234 Base-Backbone interact. energy: -7.131 local terms energy: -799.921007 where: bonds (distance) C4'-P energy: -165.153 bonds (distance) P-C4' energy: -159.480 flat angles C4'-P-C4' energy: -174.030 flat angles P-C4'-P energy: -126.070 tors. eta vs tors. theta energy: -175.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2068.584397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.584397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.584397 (E_RNA) where: Base-Base interactions energy: -1331.907 where: short stacking energy: -635.036 Base-Backbone interact. energy: 0.146 local terms energy: -736.823260 where: bonds (distance) C4'-P energy: -146.199 bonds (distance) P-C4' energy: -143.835 flat angles C4'-P-C4' energy: -173.025 flat angles P-C4'-P energy: -114.001 tors. eta vs tors. theta energy: -159.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2037.328786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.328786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.328786 (E_RNA) where: Base-Base interactions energy: -1344.085 where: short stacking energy: -653.680 Base-Backbone interact. energy: 1.491 local terms energy: -694.735154 where: bonds (distance) C4'-P energy: -142.206 bonds (distance) P-C4' energy: -157.997 flat angles C4'-P-C4' energy: -159.681 flat angles P-C4'-P energy: -83.091 tors. eta vs tors. theta energy: -151.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1711.148286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.148286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.148286 (E_RNA) where: Base-Base interactions energy: -1030.146 where: short stacking energy: -506.608 Base-Backbone interact. energy: -2.788 local terms energy: -678.214413 where: bonds (distance) C4'-P energy: -156.818 bonds (distance) P-C4' energy: -142.627 flat angles C4'-P-C4' energy: -175.075 flat angles P-C4'-P energy: -89.614 tors. eta vs tors. theta energy: -114.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1530.348039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.348039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.348039 (E_RNA) where: Base-Base interactions energy: -887.824 where: short stacking energy: -466.257 Base-Backbone interact. energy: 2.190 local terms energy: -644.713247 where: bonds (distance) C4'-P energy: -138.933 bonds (distance) P-C4' energy: -159.263 flat angles C4'-P-C4' energy: -149.585 flat angles P-C4'-P energy: -98.999 tors. eta vs tors. theta energy: -97.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1248.767062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.767062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.767062 (E_RNA) where: Base-Base interactions energy: -700.397 where: short stacking energy: -374.836 Base-Backbone interact. energy: -2.185 local terms energy: -546.185011 where: bonds (distance) C4'-P energy: -131.969 bonds (distance) P-C4' energy: -121.129 flat angles C4'-P-C4' energy: -157.144 flat angles P-C4'-P energy: -85.341 tors. eta vs tors. theta energy: -50.603 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: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1061.192796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.192796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.192796 (E_RNA) where: Base-Base interactions energy: -544.437 where: short stacking energy: -334.929 Base-Backbone interact. energy: 2.480 local terms energy: -519.235862 where: bonds (distance) C4'-P energy: -137.145 bonds (distance) P-C4' energy: -132.347 flat angles C4'-P-C4' energy: -128.601 flat angles P-C4'-P energy: -75.262 tors. eta vs tors. theta energy: -45.880 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: 5 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1017.661290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.661290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.661290 (E_RNA) where: Base-Base interactions energy: -526.512 where: short stacking energy: -299.971 Base-Backbone interact. energy: 2.180 local terms energy: -493.329017 where: bonds (distance) C4'-P energy: -132.300 bonds (distance) P-C4' energy: -154.686 flat angles C4'-P-C4' energy: -125.167 flat angles P-C4'-P energy: -63.441 tors. eta vs tors. theta energy: -17.735 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: 1 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -770.909607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.909607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.909607 (E_RNA) where: Base-Base interactions energy: -316.047 where: short stacking energy: -218.088 Base-Backbone interact. energy: 3.378 local terms energy: -458.240060 where: bonds (distance) C4'-P energy: -131.940 bonds (distance) P-C4' energy: -141.384 flat angles C4'-P-C4' energy: -107.262 flat angles P-C4'-P energy: -71.640 tors. eta vs tors. theta energy: -6.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -612.144090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.144090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.144090 (E_RNA) where: Base-Base interactions energy: -210.882 where: short stacking energy: -185.519 Base-Backbone interact. energy: 2.205 local terms energy: -403.467278 where: bonds (distance) C4'-P energy: -125.065 bonds (distance) P-C4' energy: -136.712 flat angles C4'-P-C4' energy: -100.162 flat angles P-C4'-P energy: -67.341 tors. eta vs tors. theta energy: 25.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2339.240427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.240427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.240427 (E_RNA) where: Base-Base interactions energy: -1528.961 where: short stacking energy: -733.466 Base-Backbone interact. energy: -2.524 local terms energy: -807.755496 where: bonds (distance) C4'-P energy: -160.372 bonds (distance) P-C4' energy: -164.905 flat angles C4'-P-C4' energy: -175.781 flat angles P-C4'-P energy: -113.029 tors. eta vs tors. theta energy: -193.667 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: 7 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2101.182140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.182140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.182140 (E_RNA) where: Base-Base interactions energy: -1344.275 where: short stacking energy: -641.443 Base-Backbone interact. energy: -3.170 local terms energy: -753.737133 where: bonds (distance) C4'-P energy: -140.133 bonds (distance) P-C4' energy: -165.207 flat angles C4'-P-C4' energy: -172.615 flat angles P-C4'-P energy: -112.977 tors. eta vs tors. theta energy: -162.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2056.813751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.813751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.813751 (E_RNA) where: Base-Base interactions energy: -1309.936 where: short stacking energy: -623.539 Base-Backbone interact. energy: -6.944 local terms energy: -739.934152 where: bonds (distance) C4'-P energy: -167.476 bonds (distance) P-C4' energy: -165.432 flat angles C4'-P-C4' energy: -160.867 flat angles P-C4'-P energy: -103.162 tors. eta vs tors. theta energy: -142.998 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: 9 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1736.654365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.654365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.654365 (E_RNA) where: Base-Base interactions energy: -1038.867 where: short stacking energy: -519.914 Base-Backbone interact. energy: -4.285 local terms energy: -693.502445 where: bonds (distance) C4'-P energy: -146.203 bonds (distance) P-C4' energy: -157.445 flat angles C4'-P-C4' energy: -170.918 flat angles P-C4'-P energy: -98.253 tors. eta vs tors. theta energy: -120.684 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: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1530.887616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.887616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.887616 (E_RNA) where: Base-Base interactions energy: -923.488 where: short stacking energy: -481.826 Base-Backbone interact. energy: -1.326 local terms energy: -606.073018 where: bonds (distance) C4'-P energy: -128.623 bonds (distance) P-C4' energy: -139.331 flat angles C4'-P-C4' energy: -163.041 flat angles P-C4'-P energy: -89.678 tors. eta vs tors. theta energy: -85.400 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: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1343.190846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.190846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.190846 (E_RNA) where: Base-Base interactions energy: -785.887 where: short stacking energy: -384.167 Base-Backbone interact. energy: -3.658 local terms energy: -553.645850 where: bonds (distance) C4'-P energy: -129.295 bonds (distance) P-C4' energy: -148.566 flat angles C4'-P-C4' energy: -150.262 flat angles P-C4'-P energy: -73.442 tors. eta vs tors. theta energy: -52.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1060.046935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.046935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.046935 (E_RNA) where: Base-Base interactions energy: -530.342 where: short stacking energy: -317.156 Base-Backbone interact. energy: -1.153 local terms energy: -528.552261 where: bonds (distance) C4'-P energy: -135.092 bonds (distance) P-C4' energy: -156.568 flat angles C4'-P-C4' energy: -138.691 flat angles P-C4'-P energy: -68.095 tors. eta vs tors. theta energy: -30.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1028.578419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.578419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.578419 (E_RNA) where: Base-Base interactions energy: -485.085 where: short stacking energy: -291.769 Base-Backbone interact. energy: -0.703 local terms energy: -542.790265 where: bonds (distance) C4'-P energy: -141.274 bonds (distance) P-C4' energy: -142.703 flat angles C4'-P-C4' energy: -149.871 flat angles P-C4'-P energy: -71.518 tors. eta vs tors. theta energy: -37.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -799.893257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.893257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.893257 (E_RNA) where: Base-Base interactions energy: -338.984 where: short stacking energy: -211.963 Base-Backbone interact. energy: 0.090 local terms energy: -460.999320 where: bonds (distance) C4'-P energy: -137.370 bonds (distance) P-C4' energy: -139.312 flat angles C4'-P-C4' energy: -103.035 flat angles P-C4'-P energy: -81.976 tors. eta vs tors. theta energy: 0.694 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: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -615.609192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.609192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.609192 (E_RNA) where: Base-Base interactions energy: -247.566 where: short stacking energy: -154.535 Base-Backbone interact. energy: -3.452 local terms energy: -364.590980 where: bonds (distance) C4'-P energy: -121.235 bonds (distance) P-C4' energy: -138.099 flat angles C4'-P-C4' energy: -116.873 flat angles P-C4'-P energy: -38.092 tors. eta vs tors. theta energy: 49.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2271.017240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.017240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.017240 (E_RNA) where: Base-Base interactions energy: -1480.888 where: short stacking energy: -699.540 Base-Backbone interact. energy: -3.180 local terms energy: -786.949352 where: bonds (distance) C4'-P energy: -153.169 bonds (distance) P-C4' energy: -158.931 flat angles C4'-P-C4' energy: -175.851 flat angles P-C4'-P energy: -125.734 tors. eta vs tors. theta energy: -173.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2188.068204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.068204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.068204 (E_RNA) where: Base-Base interactions energy: -1404.435 where: short stacking energy: -713.918 Base-Backbone interact. energy: -3.393 local terms energy: -780.239651 where: bonds (distance) C4'-P energy: -143.510 bonds (distance) P-C4' energy: -158.696 flat angles C4'-P-C4' energy: -172.020 flat angles P-C4'-P energy: -107.186 tors. eta vs tors. theta energy: -198.828 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: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2120.151760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.151760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.151760 (E_RNA) where: Base-Base interactions energy: -1350.093 where: short stacking energy: -638.016 Base-Backbone interact. energy: 0.679 local terms energy: -770.737462 where: bonds (distance) C4'-P energy: -157.864 bonds (distance) P-C4' energy: -164.226 flat angles C4'-P-C4' energy: -159.927 flat angles P-C4'-P energy: -118.586 tors. eta vs tors. theta energy: -170.135 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: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1790.773922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.773922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.773922 (E_RNA) where: Base-Base interactions energy: -1126.449 where: short stacking energy: -564.830 Base-Backbone interact. energy: 3.665 local terms energy: -667.989872 where: bonds (distance) C4'-P energy: -155.734 bonds (distance) P-C4' energy: -153.522 flat angles C4'-P-C4' energy: -146.254 flat angles P-C4'-P energy: -80.694 tors. eta vs tors. theta energy: -131.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1529.804868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.804868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.804868 (E_RNA) where: Base-Base interactions energy: -899.771 where: short stacking energy: -433.279 Base-Backbone interact. energy: -1.351 local terms energy: -628.682754 where: bonds (distance) C4'-P energy: -150.793 bonds (distance) P-C4' energy: -149.473 flat angles C4'-P-C4' energy: -149.160 flat angles P-C4'-P energy: -94.062 tors. eta vs tors. theta energy: -85.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1398.826109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.826109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.826109 (E_RNA) where: Base-Base interactions energy: -830.761 where: short stacking energy: -433.146 Base-Backbone interact. energy: -0.504 local terms energy: -567.561161 where: bonds (distance) C4'-P energy: -147.517 bonds (distance) P-C4' energy: -132.041 flat angles C4'-P-C4' energy: -146.711 flat angles P-C4'-P energy: -65.984 tors. eta vs tors. theta energy: -75.308 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: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1116.424301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.424301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.424301 (E_RNA) where: Base-Base interactions energy: -575.472 where: short stacking energy: -316.167 Base-Backbone interact. energy: 0.663 local terms energy: -541.614840 where: bonds (distance) C4'-P energy: -138.655 bonds (distance) P-C4' energy: -145.482 flat angles C4'-P-C4' energy: -118.644 flat angles P-C4'-P energy: -102.302 tors. eta vs tors. theta energy: -36.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -971.941708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.941708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.941708 (E_RNA) where: Base-Base interactions energy: -490.074 where: short stacking energy: -322.479 Base-Backbone interact. energy: 3.760 local terms energy: -485.627751 where: bonds (distance) C4'-P energy: -128.942 bonds (distance) P-C4' energy: -118.334 flat angles C4'-P-C4' energy: -146.430 flat angles P-C4'-P energy: -70.151 tors. eta vs tors. theta energy: -21.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -696.491381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.491381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.491381 (E_RNA) where: Base-Base interactions energy: -256.671 where: short stacking energy: -191.050 Base-Backbone interact. energy: 0.255 local terms energy: -440.075945 where: bonds (distance) C4'-P energy: -133.299 bonds (distance) P-C4' energy: -147.533 flat angles C4'-P-C4' energy: -115.387 flat angles P-C4'-P energy: -65.777 tors. eta vs tors. theta energy: 21.920 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: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -622.904128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.904128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.904128 (E_RNA) where: Base-Base interactions energy: -246.506 where: short stacking energy: -174.845 Base-Backbone interact. energy: 3.045 local terms energy: -379.443349 where: bonds (distance) C4'-P energy: -132.154 bonds (distance) P-C4' energy: -120.804 flat angles C4'-P-C4' energy: -89.453 flat angles P-C4'-P energy: -74.249 tors. eta vs tors. theta energy: 37.216 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: 28 Temperature: 0.900000 Total energy: -2293.399801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.399801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.399801 (E_RNA) where: Base-Base interactions energy: -1459.409 where: short stacking energy: -702.868 Base-Backbone interact. energy: -4.410 local terms energy: -829.580370 where: bonds (distance) C4'-P energy: -165.161 bonds (distance) P-C4' energy: -182.070 flat angles C4'-P-C4' energy: -181.934 flat angles P-C4'-P energy: -113.458 tors. eta vs tors. theta energy: -186.957 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: 7 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2143.386307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.386307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.386307 (E_RNA) where: Base-Base interactions energy: -1360.229 where: short stacking energy: -671.475 Base-Backbone interact. energy: -1.545 local terms energy: -781.612338 where: bonds (distance) C4'-P energy: -168.745 bonds (distance) P-C4' energy: -156.596 flat angles C4'-P-C4' energy: -171.027 flat angles P-C4'-P energy: -110.293 tors. eta vs tors. theta energy: -174.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2159.228882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.228882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.228882 (E_RNA) where: Base-Base interactions energy: -1385.430 where: short stacking energy: -659.109 Base-Backbone interact. energy: -2.193 local terms energy: -771.606457 where: bonds (distance) C4'-P energy: -166.257 bonds (distance) P-C4' energy: -157.550 flat angles C4'-P-C4' energy: -172.593 flat angles P-C4'-P energy: -109.977 tors. eta vs tors. theta energy: -165.229 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: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1747.463597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.463597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.463597 (E_RNA) where: Base-Base interactions energy: -1054.966 where: short stacking energy: -558.236 Base-Backbone interact. energy: 1.046 local terms energy: -693.542803 where: bonds (distance) C4'-P energy: -156.866 bonds (distance) P-C4' energy: -160.594 flat angles C4'-P-C4' energy: -145.831 flat angles P-C4'-P energy: -100.853 tors. eta vs tors. theta energy: -129.399 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: 28 Temperature: 1.100000 Total energy: -1580.575653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.575653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.575653 (E_RNA) where: Base-Base interactions energy: -949.014 where: short stacking energy: -461.584 Base-Backbone interact. energy: -1.752 local terms energy: -629.809579 where: bonds (distance) C4'-P energy: -128.811 bonds (distance) P-C4' energy: -156.403 flat angles C4'-P-C4' energy: -139.682 flat angles P-C4'-P energy: -107.122 tors. eta vs tors. theta energy: -97.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1487.659624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.659624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.659624 (E_RNA) where: Base-Base interactions energy: -882.943 where: short stacking energy: -442.977 Base-Backbone interact. energy: 2.989 local terms energy: -607.705501 where: bonds (distance) C4'-P energy: -157.880 bonds (distance) P-C4' energy: -151.539 flat angles C4'-P-C4' energy: -147.530 flat angles P-C4'-P energy: -78.981 tors. eta vs tors. theta energy: -71.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1145.197366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.197366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.197366 (E_RNA) where: Base-Base interactions energy: -592.738 where: short stacking energy: -334.596 Base-Backbone interact. energy: -2.605 local terms energy: -549.854305 where: bonds (distance) C4'-P energy: -145.628 bonds (distance) P-C4' energy: -125.258 flat angles C4'-P-C4' energy: -140.749 flat angles P-C4'-P energy: -108.160 tors. eta vs tors. theta energy: -30.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1093.684668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.684668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.684668 (E_RNA) where: Base-Base interactions energy: -587.874 where: short stacking energy: -339.168 Base-Backbone interact. energy: -2.474 local terms energy: -503.336706 where: bonds (distance) C4'-P energy: -114.791 bonds (distance) P-C4' energy: -138.934 flat angles C4'-P-C4' energy: -133.693 flat angles P-C4'-P energy: -64.381 tors. eta vs tors. theta energy: -51.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -704.734672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.734672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.734672 (E_RNA) where: Base-Base interactions energy: -276.403 where: short stacking energy: -189.475 Base-Backbone interact. energy: -0.866 local terms energy: -427.465666 where: bonds (distance) C4'-P energy: -134.508 bonds (distance) P-C4' energy: -142.672 flat angles C4'-P-C4' energy: -104.910 flat angles P-C4'-P energy: -65.880 tors. eta vs tors. theta energy: 20.504 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: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -627.814218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.814218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.814218 (E_RNA) where: Base-Base interactions energy: -251.869 where: short stacking energy: -184.275 Base-Backbone interact. energy: 4.870 local terms energy: -380.814832 where: bonds (distance) C4'-P energy: -125.873 bonds (distance) P-C4' energy: -150.397 flat angles C4'-P-C4' energy: -106.174 flat angles P-C4'-P energy: -33.902 tors. eta vs tors. theta energy: 35.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2340.973980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.973980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.973980 (E_RNA) where: Base-Base interactions energy: -1538.261 where: short stacking energy: -685.408 Base-Backbone interact. energy: -5.877 local terms energy: -796.835693 where: bonds (distance) C4'-P energy: -165.733 bonds (distance) P-C4' energy: -177.424 flat angles C4'-P-C4' energy: -165.975 flat angles P-C4'-P energy: -116.606 tors. eta vs tors. theta energy: -171.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2078.065375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.065375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.065375 (E_RNA) where: Base-Base interactions energy: -1312.730 where: short stacking energy: -632.331 Base-Backbone interact. energy: -1.976 local terms energy: -763.359724 where: bonds (distance) C4'-P energy: -153.304 bonds (distance) P-C4' energy: -181.719 flat angles C4'-P-C4' energy: -157.764 flat angles P-C4'-P energy: -105.225 tors. eta vs tors. theta energy: -165.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2162.694678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.694678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.694678 (E_RNA) where: Base-Base interactions energy: -1440.128 where: short stacking energy: -623.132 Base-Backbone interact. energy: -2.123 local terms energy: -720.443995 where: bonds (distance) C4'-P energy: -158.631 bonds (distance) P-C4' energy: -160.135 flat angles C4'-P-C4' energy: -166.054 flat angles P-C4'-P energy: -95.898 tors. eta vs tors. theta energy: -139.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1723.721629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.721629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.721629 (E_RNA) where: Base-Base interactions energy: -1037.454 where: short stacking energy: -523.840 Base-Backbone interact. energy: 1.600 local terms energy: -687.866930 where: bonds (distance) C4'-P energy: -139.293 bonds (distance) P-C4' energy: -152.377 flat angles C4'-P-C4' energy: -153.625 flat angles P-C4'-P energy: -109.231 tors. eta vs tors. theta energy: -133.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1587.061475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.061475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.061475 (E_RNA) where: Base-Base interactions energy: -974.946 where: short stacking energy: -509.074 Base-Backbone interact. energy: -3.087 local terms energy: -609.028282 where: bonds (distance) C4'-P energy: -142.566 bonds (distance) P-C4' energy: -160.923 flat angles C4'-P-C4' energy: -146.057 flat angles P-C4'-P energy: -73.159 tors. eta vs tors. theta energy: -86.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1441.211065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.211065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.211065 (E_RNA) where: Base-Base interactions energy: -836.412 where: short stacking energy: -415.883 Base-Backbone interact. energy: -2.433 local terms energy: -602.366222 where: bonds (distance) C4'-P energy: -145.439 bonds (distance) P-C4' energy: -146.923 flat angles C4'-P-C4' energy: -163.508 flat angles P-C4'-P energy: -74.807 tors. eta vs tors. theta energy: -71.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1170.526843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.526843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.526843 (E_RNA) where: Base-Base interactions energy: -608.931 where: short stacking energy: -349.327 Base-Backbone interact. energy: 0.286 local terms energy: -561.882235 where: bonds (distance) C4'-P energy: -138.338 bonds (distance) P-C4' energy: -143.418 flat angles C4'-P-C4' energy: -137.974 flat angles P-C4'-P energy: -95.542 tors. eta vs tors. theta energy: -46.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1103.591225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.591225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.591225 (E_RNA) where: Base-Base interactions energy: -601.569 where: short stacking energy: -332.179 Base-Backbone interact. energy: 2.018 local terms energy: -504.040791 where: bonds (distance) C4'-P energy: -130.599 bonds (distance) P-C4' energy: -140.440 flat angles C4'-P-C4' energy: -121.079 flat angles P-C4'-P energy: -69.022 tors. eta vs tors. theta energy: -42.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -725.418146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.418146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.418146 (E_RNA) where: Base-Base interactions energy: -286.209 where: short stacking energy: -198.947 Base-Backbone interact. energy: 1.027 local terms energy: -440.235346 where: bonds (distance) C4'-P energy: -145.008 bonds (distance) P-C4' energy: -120.035 flat angles C4'-P-C4' energy: -140.570 flat angles P-C4'-P energy: -50.738 tors. eta vs tors. theta energy: 16.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -623.990793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.990793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.990793 (E_RNA) where: Base-Base interactions energy: -213.731 where: short stacking energy: -148.975 Base-Backbone interact. energy: 1.350 local terms energy: -411.610308 where: bonds (distance) C4'-P energy: -127.121 bonds (distance) P-C4' energy: -136.065 flat angles C4'-P-C4' energy: -131.097 flat angles P-C4'-P energy: -49.359 tors. eta vs tors. theta energy: 32.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2355.319035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.319035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.319035 (E_RNA) where: Base-Base interactions energy: -1534.504 where: short stacking energy: -725.064 Base-Backbone interact. energy: -0.605 local terms energy: -820.210500 where: bonds (distance) C4'-P energy: -176.117 bonds (distance) P-C4' energy: -179.855 flat angles C4'-P-C4' energy: -178.999 flat angles P-C4'-P energy: -100.839 tors. eta vs tors. theta energy: -184.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2083.789674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.789674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.789674 (E_RNA) where: Base-Base interactions energy: -1346.112 where: short stacking energy: -647.728 Base-Backbone interact. energy: -2.463 local terms energy: -735.214619 where: bonds (distance) C4'-P energy: -147.751 bonds (distance) P-C4' energy: -165.106 flat angles C4'-P-C4' energy: -161.769 flat angles P-C4'-P energy: -100.642 tors. eta vs tors. theta energy: -159.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2242.517404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.517404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.517404 (E_RNA) where: Base-Base interactions energy: -1472.291 where: short stacking energy: -652.736 Base-Backbone interact. energy: -4.285 local terms energy: -765.941911 where: bonds (distance) C4'-P energy: -165.022 bonds (distance) P-C4' energy: -165.215 flat angles C4'-P-C4' energy: -161.722 flat angles P-C4'-P energy: -98.174 tors. eta vs tors. theta energy: -175.808 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: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1804.784344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.784344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.784344 (E_RNA) where: Base-Base interactions energy: -1084.779 where: short stacking energy: -543.360 Base-Backbone interact. energy: -5.821 local terms energy: -714.184287 where: bonds (distance) C4'-P energy: -144.682 bonds (distance) P-C4' energy: -160.968 flat angles C4'-P-C4' energy: -149.393 flat angles P-C4'-P energy: -114.516 tors. eta vs tors. theta energy: -144.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1598.125124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.125124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.125124 (E_RNA) where: Base-Base interactions energy: -976.299 where: short stacking energy: -460.082 Base-Backbone interact. energy: -1.823 local terms energy: -620.003134 where: bonds (distance) C4'-P energy: -141.607 bonds (distance) P-C4' energy: -151.762 flat angles C4'-P-C4' energy: -153.940 flat angles P-C4'-P energy: -83.371 tors. eta vs tors. theta energy: -89.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1524.400677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.400677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.400677 (E_RNA) where: Base-Base interactions energy: -887.101 where: short stacking energy: -430.202 Base-Backbone interact. energy: -2.404 local terms energy: -634.895729 where: bonds (distance) C4'-P energy: -159.192 bonds (distance) P-C4' energy: -146.868 flat angles C4'-P-C4' energy: -151.583 flat angles P-C4'-P energy: -92.003 tors. eta vs tors. theta energy: -85.250 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: 7, replica: 5 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1121.464952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.464952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.464952 (E_RNA) where: Base-Base interactions energy: -594.503 where: short stacking energy: -295.476 Base-Backbone interact. energy: 1.010 local terms energy: -527.972342 where: bonds (distance) C4'-P energy: -166.480 bonds (distance) P-C4' energy: -126.880 flat angles C4'-P-C4' energy: -133.336 flat angles P-C4'-P energy: -88.828 tors. eta vs tors. theta energy: -12.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1060.324591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.324591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.324591 (E_RNA) where: Base-Base interactions energy: -562.749 where: short stacking energy: -328.993 Base-Backbone interact. energy: 3.524 local terms energy: -501.099277 where: bonds (distance) C4'-P energy: -134.490 bonds (distance) P-C4' energy: -135.891 flat angles C4'-P-C4' energy: -116.358 flat angles P-C4'-P energy: -74.518 tors. eta vs tors. theta energy: -39.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -757.244476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.244476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.244476 (E_RNA) where: Base-Base interactions energy: -286.537 where: short stacking energy: -204.036 Base-Backbone interact. energy: 1.652 local terms energy: -472.359275 where: bonds (distance) C4'-P energy: -131.579 bonds (distance) P-C4' energy: -136.558 flat angles C4'-P-C4' energy: -131.448 flat angles P-C4'-P energy: -66.483 tors. eta vs tors. theta energy: -6.290 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: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -658.981883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.981883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.981883 (E_RNA) where: Base-Base interactions energy: -230.440 where: short stacking energy: -159.626 Base-Backbone interact. energy: -1.250 local terms energy: -427.291474 where: bonds (distance) C4'-P energy: -149.548 bonds (distance) P-C4' energy: -116.917 flat angles C4'-P-C4' energy: -115.762 flat angles P-C4'-P energy: -76.216 tors. eta vs tors. theta energy: 31.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2342.896951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.896951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.896951 (E_RNA) where: Base-Base interactions energy: -1539.716 where: short stacking energy: -740.409 Base-Backbone interact. energy: -7.495 local terms energy: -795.685576 where: bonds (distance) C4'-P energy: -154.308 bonds (distance) P-C4' energy: -157.382 flat angles C4'-P-C4' energy: -176.071 flat angles P-C4'-P energy: -110.546 tors. eta vs tors. theta energy: -197.379 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: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2322.694630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.694630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.694630 (E_RNA) where: Base-Base interactions energy: -1563.368 where: short stacking energy: -704.209 Base-Backbone interact. energy: -1.329 local terms energy: -757.997256 where: bonds (distance) C4'-P energy: -140.705 bonds (distance) P-C4' energy: -156.238 flat angles C4'-P-C4' energy: -172.061 flat angles P-C4'-P energy: -113.666 tors. eta vs tors. theta energy: -175.328 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: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2037.491634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.491634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.491634 (E_RNA) where: Base-Base interactions energy: -1271.742 where: short stacking energy: -624.977 Base-Backbone interact. energy: -0.172 local terms energy: -765.577441 where: bonds (distance) C4'-P energy: -163.946 bonds (distance) P-C4' energy: -156.784 flat angles C4'-P-C4' energy: -183.483 flat angles P-C4'-P energy: -99.227 tors. eta vs tors. theta energy: -162.138 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: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1814.369509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.369509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.369509 (E_RNA) where: Base-Base interactions energy: -1118.032 where: short stacking energy: -547.332 Base-Backbone interact. energy: -0.877 local terms energy: -695.459922 where: bonds (distance) C4'-P energy: -145.862 bonds (distance) P-C4' energy: -142.809 flat angles C4'-P-C4' energy: -165.337 flat angles P-C4'-P energy: -108.672 tors. eta vs tors. theta energy: -132.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1602.610205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.610205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.610205 (E_RNA) where: Base-Base interactions energy: -975.047 where: short stacking energy: -473.612 Base-Backbone interact. energy: -1.845 local terms energy: -625.718116 where: bonds (distance) C4'-P energy: -157.909 bonds (distance) P-C4' energy: -139.829 flat angles C4'-P-C4' energy: -149.056 flat angles P-C4'-P energy: -88.765 tors. eta vs tors. theta energy: -90.158 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: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1560.503823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.503823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.503823 (E_RNA) where: Base-Base interactions energy: -949.537 where: short stacking energy: -440.300 Base-Backbone interact. energy: -1.688 local terms energy: -609.278588 where: bonds (distance) C4'-P energy: -144.636 bonds (distance) P-C4' energy: -131.105 flat angles C4'-P-C4' energy: -145.636 flat angles P-C4'-P energy: -106.693 tors. eta vs tors. theta energy: -81.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1179.535876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.535876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.535876 (E_RNA) where: Base-Base interactions energy: -638.326 where: short stacking energy: -347.334 Base-Backbone interact. energy: -1.321 local terms energy: -539.888806 where: bonds (distance) C4'-P energy: -129.931 bonds (distance) P-C4' energy: -135.319 flat angles C4'-P-C4' energy: -141.931 flat angles P-C4'-P energy: -74.870 tors. eta vs tors. theta energy: -57.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1015.231292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.231292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.231292 (E_RNA) where: Base-Base interactions energy: -485.415 where: short stacking energy: -284.242 Base-Backbone interact. energy: -4.651 local terms energy: -525.165339 where: bonds (distance) C4'-P energy: -140.393 bonds (distance) P-C4' energy: -175.979 flat angles C4'-P-C4' energy: -112.793 flat angles P-C4'-P energy: -62.313 tors. eta vs tors. theta energy: -33.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -704.023239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.023239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.023239 (E_RNA) where: Base-Base interactions energy: -285.513 where: short stacking energy: -215.777 Base-Backbone interact. energy: -2.469 local terms energy: -416.040751 where: bonds (distance) C4'-P energy: -125.829 bonds (distance) P-C4' energy: -152.173 flat angles C4'-P-C4' energy: -87.278 flat angles P-C4'-P energy: -69.108 tors. eta vs tors. theta energy: 18.347 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: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -621.888679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.888679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.888679 (E_RNA) where: Base-Base interactions energy: -189.288 where: short stacking energy: -164.589 Base-Backbone interact. energy: -2.425 local terms energy: -430.175187 where: bonds (distance) C4'-P energy: -132.664 bonds (distance) P-C4' energy: -134.427 flat angles C4'-P-C4' energy: -115.993 flat angles P-C4'-P energy: -83.480 tors. eta vs tors. theta energy: 36.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2462.315618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.315618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.315618 (E_RNA) where: Base-Base interactions energy: -1634.481 where: short stacking energy: -714.110 Base-Backbone interact. energy: -6.035 local terms energy: -821.799429 where: bonds (distance) C4'-P energy: -153.375 bonds (distance) P-C4' energy: -164.914 flat angles C4'-P-C4' energy: -183.111 flat angles P-C4'-P energy: -117.906 tors. eta vs tors. theta energy: -202.493 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: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2283.634333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.634333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.634333 (E_RNA) where: Base-Base interactions energy: -1464.027 where: short stacking energy: -678.330 Base-Backbone interact. energy: -6.402 local terms energy: -813.205510 where: bonds (distance) C4'-P energy: -161.588 bonds (distance) P-C4' energy: -170.240 flat angles C4'-P-C4' energy: -191.228 flat angles P-C4'-P energy: -110.997 tors. eta vs tors. theta energy: -179.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2017.814847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.814847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.814847 (E_RNA) where: Base-Base interactions energy: -1286.260 where: short stacking energy: -635.287 Base-Backbone interact. energy: -2.689 local terms energy: -728.865284 where: bonds (distance) C4'-P energy: -154.229 bonds (distance) P-C4' energy: -146.777 flat angles C4'-P-C4' energy: -171.503 flat angles P-C4'-P energy: -99.312 tors. eta vs tors. theta energy: -157.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1862.685076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.685076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.685076 (E_RNA) where: Base-Base interactions energy: -1181.564 where: short stacking energy: -580.880 Base-Backbone interact. energy: -0.859 local terms energy: -680.262678 where: bonds (distance) C4'-P energy: -132.105 bonds (distance) P-C4' energy: -140.492 flat angles C4'-P-C4' energy: -151.753 flat angles P-C4'-P energy: -116.839 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: 5, replica: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1655.316723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.316723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.316723 (E_RNA) where: Base-Base interactions energy: -1041.489 where: short stacking energy: -497.159 Base-Backbone interact. energy: -4.218 local terms energy: -609.609920 where: bonds (distance) C4'-P energy: -129.034 bonds (distance) P-C4' energy: -149.636 flat angles C4'-P-C4' energy: -147.277 flat angles P-C4'-P energy: -81.557 tors. eta vs tors. theta energy: -102.105 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: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1523.759294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.759294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.759294 (E_RNA) where: Base-Base interactions energy: -910.315 where: short stacking energy: -430.866 Base-Backbone interact. energy: -1.633 local terms energy: -611.811365 where: bonds (distance) C4'-P energy: -136.924 bonds (distance) P-C4' energy: -158.068 flat angles C4'-P-C4' energy: -143.357 flat angles P-C4'-P energy: -90.343 tors. eta vs tors. theta energy: -83.119 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: 5 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1227.732872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.732872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.732872 (E_RNA) where: Base-Base interactions energy: -689.205 where: short stacking energy: -364.784 Base-Backbone interact. energy: -1.640 local terms energy: -536.888420 where: bonds (distance) C4'-P energy: -138.459 bonds (distance) P-C4' energy: -132.032 flat angles C4'-P-C4' energy: -127.711 flat angles P-C4'-P energy: -98.812 tors. eta vs tors. theta energy: -39.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -974.838271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.838271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.838271 (E_RNA) where: Base-Base interactions energy: -465.811 where: short stacking energy: -288.140 Base-Backbone interact. energy: 1.406 local terms energy: -510.432908 where: bonds (distance) C4'-P energy: -141.999 bonds (distance) P-C4' energy: -127.435 flat angles C4'-P-C4' energy: -132.132 flat angles P-C4'-P energy: -93.528 tors. eta vs tors. theta energy: -15.339 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: 1 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -706.726641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.726641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.726641 (E_RNA) where: Base-Base interactions energy: -281.509 where: short stacking energy: -205.292 Base-Backbone interact. energy: 4.568 local terms energy: -429.786086 where: bonds (distance) C4'-P energy: -152.964 bonds (distance) P-C4' energy: -125.577 flat angles C4'-P-C4' energy: -103.884 flat angles P-C4'-P energy: -73.171 tors. eta vs tors. theta energy: 25.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -612.873034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.873034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.873034 (E_RNA) where: Base-Base interactions energy: -208.566 where: short stacking energy: -173.418 Base-Backbone interact. energy: 2.246 local terms energy: -406.553342 where: bonds (distance) C4'-P energy: -136.297 bonds (distance) P-C4' energy: -139.745 flat angles C4'-P-C4' energy: -104.156 flat angles P-C4'-P energy: -46.634 tors. eta vs tors. theta energy: 20.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2428.401985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.401985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.401985 (E_RNA) where: Base-Base interactions energy: -1613.496 where: short stacking energy: -719.929 Base-Backbone interact. energy: 1.218 local terms energy: -816.124132 where: bonds (distance) C4'-P energy: -164.362 bonds (distance) P-C4' energy: -150.241 flat angles C4'-P-C4' energy: -187.592 flat angles P-C4'-P energy: -123.945 tors. eta vs tors. theta energy: -189.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2253.873969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.873969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.873969 (E_RNA) where: Base-Base interactions energy: -1475.966 where: short stacking energy: -667.459 Base-Backbone interact. energy: -4.058 local terms energy: -773.850309 where: bonds (distance) C4'-P energy: -145.780 bonds (distance) P-C4' energy: -172.866 flat angles C4'-P-C4' energy: -178.291 flat angles P-C4'-P energy: -101.655 tors. eta vs tors. theta energy: -175.257 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: 3, replica: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2048.809568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.809568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.809568 (E_RNA) where: Base-Base interactions energy: -1281.823 where: short stacking energy: -613.232 Base-Backbone interact. energy: -3.195 local terms energy: -763.791313 where: bonds (distance) C4'-P energy: -165.399 bonds (distance) P-C4' energy: -176.224 flat angles C4'-P-C4' energy: -154.355 flat angles P-C4'-P energy: -111.377 tors. eta vs tors. theta energy: -156.437 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: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1820.428698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.428698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.428698 (E_RNA) where: Base-Base interactions energy: -1132.976 where: short stacking energy: -559.207 Base-Backbone interact. energy: 2.075 local terms energy: -689.528039 where: bonds (distance) C4'-P energy: -129.234 bonds (distance) P-C4' energy: -153.055 flat angles C4'-P-C4' energy: -163.316 flat angles P-C4'-P energy: -101.524 tors. eta vs tors. theta energy: -142.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1700.868663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.868663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.868663 (E_RNA) where: Base-Base interactions energy: -1042.951 where: short stacking energy: -481.784 Base-Backbone interact. energy: -2.311 local terms energy: -655.607055 where: bonds (distance) C4'-P energy: -143.489 bonds (distance) P-C4' energy: -159.384 flat angles C4'-P-C4' energy: -163.899 flat angles P-C4'-P energy: -85.208 tors. eta vs tors. theta energy: -103.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1569.756837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.756837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.756837 (E_RNA) where: Base-Base interactions energy: -949.627 where: short stacking energy: -463.570 Base-Backbone interact. energy: 0.911 local terms energy: -621.040110 where: bonds (distance) C4'-P energy: -139.921 bonds (distance) P-C4' energy: -149.055 flat angles C4'-P-C4' energy: -147.491 flat angles P-C4'-P energy: -82.691 tors. eta vs tors. theta energy: -101.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1285.098438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.098438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.098438 (E_RNA) where: Base-Base interactions energy: -735.771 where: short stacking energy: -384.657 Base-Backbone interact. energy: 0.340 local terms energy: -549.667427 where: bonds (distance) C4'-P energy: -130.946 bonds (distance) P-C4' energy: -146.176 flat angles C4'-P-C4' energy: -126.779 flat angles P-C4'-P energy: -88.891 tors. eta vs tors. theta energy: -56.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -996.014995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.014995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.014995 (E_RNA) where: Base-Base interactions energy: -485.340 where: short stacking energy: -312.297 Base-Backbone interact. energy: 2.780 local terms energy: -513.455489 where: bonds (distance) C4'-P energy: -128.974 bonds (distance) P-C4' energy: -155.760 flat angles C4'-P-C4' energy: -129.814 flat angles P-C4'-P energy: -90.182 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -692.190526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.190526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.190526 (E_RNA) where: Base-Base interactions energy: -263.778 where: short stacking energy: -184.278 Base-Backbone interact. energy: -0.061 local terms energy: -428.352092 where: bonds (distance) C4'-P energy: -117.059 bonds (distance) P-C4' energy: -144.564 flat angles C4'-P-C4' energy: -107.408 flat angles P-C4'-P energy: -60.140 tors. eta vs tors. theta energy: 0.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -618.216048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.216048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.216048 (E_RNA) where: Base-Base interactions energy: -186.674 where: short stacking energy: -162.772 Base-Backbone interact. energy: -1.765 local terms energy: -429.776536 where: bonds (distance) C4'-P energy: -133.327 bonds (distance) P-C4' energy: -149.468 flat angles C4'-P-C4' energy: -115.244 flat angles P-C4'-P energy: -53.419 tors. eta vs tors. theta energy: 21.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2454.278657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.278657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.278657 (E_RNA) where: Base-Base interactions energy: -1632.058 where: short stacking energy: -735.804 Base-Backbone interact. energy: -2.566 local terms energy: -819.654967 where: bonds (distance) C4'-P energy: -162.084 bonds (distance) P-C4' energy: -154.202 flat angles C4'-P-C4' energy: -189.685 flat angles P-C4'-P energy: -121.187 tors. eta vs tors. theta energy: -192.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2283.721991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.721991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.721991 (E_RNA) where: Base-Base interactions energy: -1509.648 where: short stacking energy: -679.836 Base-Backbone interact. energy: -3.472 local terms energy: -770.602602 where: bonds (distance) C4'-P energy: -150.465 bonds (distance) P-C4' energy: -158.907 flat angles C4'-P-C4' energy: -177.693 flat angles P-C4'-P energy: -119.007 tors. eta vs tors. theta energy: -164.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1992.929985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.929985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.929985 (E_RNA) where: Base-Base interactions energy: -1282.058 where: short stacking energy: -579.397 Base-Backbone interact. energy: 3.289 local terms energy: -714.160731 where: bonds (distance) C4'-P energy: -166.408 bonds (distance) P-C4' energy: -147.199 flat angles C4'-P-C4' energy: -159.692 flat angles P-C4'-P energy: -105.586 tors. eta vs tors. theta energy: -135.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1825.610699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.610699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.610699 (E_RNA) where: Base-Base interactions energy: -1111.172 where: short stacking energy: -595.377 Base-Backbone interact. energy: -1.971 local terms energy: -712.468217 where: bonds (distance) C4'-P energy: -170.485 bonds (distance) P-C4' energy: -145.741 flat angles C4'-P-C4' energy: -155.233 flat angles P-C4'-P energy: -105.793 tors. eta vs tors. theta energy: -135.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1686.102121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.102121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.102121 (E_RNA) where: Base-Base interactions energy: -999.809 where: short stacking energy: -491.267 Base-Backbone interact. energy: 2.967 local terms energy: -689.260781 where: bonds (distance) C4'-P energy: -143.784 bonds (distance) P-C4' energy: -147.768 flat angles C4'-P-C4' energy: -167.461 flat angles P-C4'-P energy: -105.424 tors. eta vs tors. theta energy: -124.824 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: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1591.434831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.434831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.434831 (E_RNA) where: Base-Base interactions energy: -970.527 where: short stacking energy: -472.208 Base-Backbone interact. energy: 1.703 local terms energy: -622.610286 where: bonds (distance) C4'-P energy: -164.525 bonds (distance) P-C4' energy: -150.228 flat angles C4'-P-C4' energy: -151.301 flat angles P-C4'-P energy: -69.385 tors. eta vs tors. theta energy: -87.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1368.449129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.449129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.449129 (E_RNA) where: Base-Base interactions energy: -802.261 where: short stacking energy: -403.482 Base-Backbone interact. energy: -1.838 local terms energy: -564.350290 where: bonds (distance) C4'-P energy: -119.917 bonds (distance) P-C4' energy: -148.939 flat angles C4'-P-C4' energy: -126.223 flat angles P-C4'-P energy: -100.253 tors. eta vs tors. theta energy: -69.018 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: 4 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1034.437869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.437869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.437869 (E_RNA) where: Base-Base interactions energy: -533.831 where: short stacking energy: -290.210 Base-Backbone interact. energy: -1.278 local terms energy: -499.328859 where: bonds (distance) C4'-P energy: -128.776 bonds (distance) P-C4' energy: -156.012 flat angles C4'-P-C4' energy: -142.115 flat angles P-C4'-P energy: -76.388 tors. eta vs tors. theta energy: 3.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -654.256739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.256739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.256739 (E_RNA) where: Base-Base interactions energy: -242.742 where: short stacking energy: -179.552 Base-Backbone interact. energy: 5.971 local terms energy: -417.486408 where: bonds (distance) C4'-P energy: -120.612 bonds (distance) P-C4' energy: -154.647 flat angles C4'-P-C4' energy: -123.293 flat angles P-C4'-P energy: -54.687 tors. eta vs tors. theta energy: 35.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -611.897648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.897648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.897648 (E_RNA) where: Base-Base interactions energy: -173.470 where: short stacking energy: -122.322 Base-Backbone interact. energy: -1.610 local terms energy: -436.818383 where: bonds (distance) C4'-P energy: -142.894 bonds (distance) P-C4' energy: -145.838 flat angles C4'-P-C4' energy: -116.876 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: 46.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2427.517922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.517922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.517922 (E_RNA) where: Base-Base interactions energy: -1609.036 where: short stacking energy: -696.748 Base-Backbone interact. energy: -1.462 local terms energy: -817.020496 where: bonds (distance) C4'-P energy: -156.578 bonds (distance) P-C4' energy: -168.715 flat angles C4'-P-C4' energy: -180.511 flat angles P-C4'-P energy: -127.646 tors. eta vs tors. theta energy: -183.571 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: 35 Temperature: 0.950000 Total energy: -2318.485319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.485319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.485319 (E_RNA) where: Base-Base interactions energy: -1518.390 where: short stacking energy: -664.692 Base-Backbone interact. energy: -2.216 local terms energy: -797.879373 where: bonds (distance) C4'-P energy: -173.120 bonds (distance) P-C4' energy: -164.511 flat angles C4'-P-C4' energy: -168.826 flat angles P-C4'-P energy: -110.877 tors. eta vs tors. theta energy: -180.544 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: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2081.776677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.776677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.776677 (E_RNA) where: Base-Base interactions energy: -1332.974 where: short stacking energy: -615.185 Base-Backbone interact. energy: -3.301 local terms energy: -745.501666 where: bonds (distance) C4'-P energy: -149.324 bonds (distance) P-C4' energy: -144.935 flat angles C4'-P-C4' energy: -159.326 flat angles P-C4'-P energy: -117.991 tors. eta vs tors. theta energy: -173.925 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: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1812.275481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.275481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.275481 (E_RNA) where: Base-Base interactions energy: -1116.891 where: short stacking energy: -553.349 Base-Backbone interact. energy: 2.393 local terms energy: -697.777320 where: bonds (distance) C4'-P energy: -135.649 bonds (distance) P-C4' energy: -154.323 flat angles C4'-P-C4' energy: -175.161 flat angles P-C4'-P energy: -106.369 tors. eta vs tors. theta energy: -126.275 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: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1666.684906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.684906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.684906 (E_RNA) where: Base-Base interactions energy: -1036.163 where: short stacking energy: -499.703 Base-Backbone interact. energy: -4.357 local terms energy: -626.165038 where: bonds (distance) C4'-P energy: -141.988 bonds (distance) P-C4' energy: -132.295 flat angles C4'-P-C4' energy: -151.790 flat angles P-C4'-P energy: -101.065 tors. eta vs tors. theta energy: -99.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1623.730650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.730650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.730650 (E_RNA) where: Base-Base interactions energy: -1008.436 where: short stacking energy: -468.580 Base-Backbone interact. energy: -3.997 local terms energy: -611.296932 where: bonds (distance) C4'-P energy: -147.583 bonds (distance) P-C4' energy: -145.393 flat angles C4'-P-C4' energy: -142.520 flat angles P-C4'-P energy: -81.259 tors. eta vs tors. theta energy: -94.542 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: 5 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1376.683654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.683654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.683654 (E_RNA) where: Base-Base interactions energy: -819.746 where: short stacking energy: -419.288 Base-Backbone interact. energy: -0.088 local terms energy: -556.849944 where: bonds (distance) C4'-P energy: -129.081 bonds (distance) P-C4' energy: -133.918 flat angles C4'-P-C4' energy: -131.690 flat angles P-C4'-P energy: -83.989 tors. eta vs tors. theta energy: -78.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -969.743388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.743388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.743388 (E_RNA) where: Base-Base interactions energy: -495.873 where: short stacking energy: -263.648 Base-Backbone interact. energy: 3.667 local terms energy: -477.537759 where: bonds (distance) C4'-P energy: -129.305 bonds (distance) P-C4' energy: -141.685 flat angles C4'-P-C4' energy: -128.324 flat angles P-C4'-P energy: -76.356 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -654.412151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.412151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.412151 (E_RNA) where: Base-Base interactions energy: -238.433 where: short stacking energy: -202.073 Base-Backbone interact. energy: 5.991 local terms energy: -421.969540 where: bonds (distance) C4'-P energy: -142.865 bonds (distance) P-C4' energy: -124.477 flat angles C4'-P-C4' energy: -99.513 flat angles P-C4'-P energy: -66.017 tors. eta vs tors. theta energy: 10.902 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: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -652.820757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.820757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.820757 (E_RNA) where: Base-Base interactions energy: -214.471 where: short stacking energy: -205.900 Base-Backbone interact. energy: -1.551 local terms energy: -436.798505 where: bonds (distance) C4'-P energy: -127.607 bonds (distance) P-C4' energy: -128.021 flat angles C4'-P-C4' energy: -128.843 flat angles P-C4'-P energy: -72.702 tors. eta vs tors. theta energy: 20.374 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: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2466.566177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.566177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.566177 (E_RNA) where: Base-Base interactions energy: -1670.295 where: short stacking energy: -719.396 Base-Backbone interact. energy: -4.710 local terms energy: -791.562122 where: bonds (distance) C4'-P energy: -163.238 bonds (distance) P-C4' energy: -164.999 flat angles C4'-P-C4' energy: -171.703 flat angles P-C4'-P energy: -115.800 tors. eta vs tors. theta energy: -175.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2347.905539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.905539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.905539 (E_RNA) where: Base-Base interactions energy: -1538.191 where: short stacking energy: -668.885 Base-Backbone interact. energy: -3.823 local terms energy: -805.891697 where: bonds (distance) C4'-P energy: -168.390 bonds (distance) P-C4' energy: -154.062 flat angles C4'-P-C4' energy: -169.929 flat angles P-C4'-P energy: -123.466 tors. eta vs tors. theta energy: -190.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2134.210074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.210074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.210074 (E_RNA) where: Base-Base interactions energy: -1388.412 where: short stacking energy: -639.166 Base-Backbone interact. energy: -4.814 local terms energy: -740.984020 where: bonds (distance) C4'-P energy: -145.583 bonds (distance) P-C4' energy: -168.769 flat angles C4'-P-C4' energy: -163.043 flat angles P-C4'-P energy: -97.417 tors. eta vs tors. theta energy: -166.171 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: 9 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1893.856331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.856331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.856331 (E_RNA) where: Base-Base interactions energy: -1164.744 where: short stacking energy: -610.832 Base-Backbone interact. energy: -1.736 local terms energy: -727.375826 where: bonds (distance) C4'-P energy: -137.889 bonds (distance) P-C4' energy: -150.133 flat angles C4'-P-C4' energy: -167.607 flat angles P-C4'-P energy: -103.734 tors. eta vs tors. theta energy: -168.012 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: 36 Temperature: 1.100000 Total energy: -1710.231928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.231928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.231928 (E_RNA) where: Base-Base interactions energy: -1059.372 where: short stacking energy: -494.004 Base-Backbone interact. energy: 0.987 local terms energy: -651.846938 where: bonds (distance) C4'-P energy: -149.815 bonds (distance) P-C4' energy: -142.009 flat angles C4'-P-C4' energy: -154.551 flat angles P-C4'-P energy: -80.771 tors. eta vs tors. theta energy: -124.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1624.657619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.657619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.657619 (E_RNA) where: Base-Base interactions energy: -1011.518 where: short stacking energy: -495.850 Base-Backbone interact. energy: 2.344 local terms energy: -615.483454 where: bonds (distance) C4'-P energy: -122.477 bonds (distance) P-C4' energy: -140.939 flat angles C4'-P-C4' energy: -139.557 flat angles P-C4'-P energy: -96.886 tors. eta vs tors. theta energy: -115.625 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: 7, replica: 5 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1354.002389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.002389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.002389 (E_RNA) where: Base-Base interactions energy: -810.964 where: short stacking energy: -367.057 Base-Backbone interact. energy: -1.260 local terms energy: -541.777851 where: bonds (distance) C4'-P energy: -144.007 bonds (distance) P-C4' energy: -140.561 flat angles C4'-P-C4' energy: -140.588 flat angles P-C4'-P energy: -61.076 tors. eta vs tors. theta energy: -55.546 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: 4 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1001.293918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.293918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.293918 (E_RNA) where: Base-Base interactions energy: -486.761 where: short stacking energy: -288.413 Base-Backbone interact. energy: -4.665 local terms energy: -509.868205 where: bonds (distance) C4'-P energy: -143.373 bonds (distance) P-C4' energy: -129.967 flat angles C4'-P-C4' energy: -116.244 flat angles P-C4'-P energy: -85.992 tors. eta vs tors. theta energy: -34.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -699.501402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.501402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.501402 (E_RNA) where: Base-Base interactions energy: -255.169 where: short stacking energy: -165.088 Base-Backbone interact. energy: 3.101 local terms energy: -447.433397 where: bonds (distance) C4'-P energy: -146.235 bonds (distance) P-C4' energy: -146.642 flat angles C4'-P-C4' energy: -115.657 flat angles P-C4'-P energy: -72.969 tors. eta vs tors. theta energy: 34.070 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: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -603.864611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.864611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.864611 (E_RNA) where: Base-Base interactions energy: -244.470 where: short stacking energy: -173.433 Base-Backbone interact. energy: 1.726 local terms energy: -361.119747 where: bonds (distance) C4'-P energy: -148.372 bonds (distance) P-C4' energy: -113.182 flat angles C4'-P-C4' energy: -83.484 flat angles P-C4'-P energy: -51.778 tors. eta vs tors. theta energy: 35.697 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: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2481.897461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.897461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.897461 (E_RNA) where: Base-Base interactions energy: -1673.096 where: short stacking energy: -724.010 Base-Backbone interact. energy: -3.818 local terms energy: -804.982964 where: bonds (distance) C4'-P energy: -165.518 bonds (distance) P-C4' energy: -159.698 flat angles C4'-P-C4' energy: -177.334 flat angles P-C4'-P energy: -104.234 tors. eta vs tors. theta energy: -198.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2351.681390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.681390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.681390 (E_RNA) where: Base-Base interactions energy: -1551.719 where: short stacking energy: -688.258 Base-Backbone interact. energy: -2.955 local terms energy: -797.007666 where: bonds (distance) C4'-P energy: -166.746 bonds (distance) P-C4' energy: -155.119 flat angles C4'-P-C4' energy: -183.750 flat angles P-C4'-P energy: -109.775 tors. eta vs tors. theta energy: -181.618 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: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2145.514267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.514267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.514267 (E_RNA) where: Base-Base interactions energy: -1359.086 where: short stacking energy: -642.674 Base-Backbone interact. energy: -0.885 local terms energy: -785.542587 where: bonds (distance) C4'-P energy: -144.297 bonds (distance) P-C4' energy: -164.533 flat angles C4'-P-C4' energy: -167.264 flat angles P-C4'-P energy: -118.826 tors. eta vs tors. theta energy: -190.623 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: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1893.963336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.963336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.963336 (E_RNA) where: Base-Base interactions energy: -1191.840 where: short stacking energy: -608.999 Base-Backbone interact. energy: -1.421 local terms energy: -700.702784 where: bonds (distance) C4'-P energy: -142.017 bonds (distance) P-C4' energy: -150.570 flat angles C4'-P-C4' energy: -149.364 flat angles P-C4'-P energy: -107.339 tors. eta vs tors. theta energy: -151.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1716.995443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.995443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.995443 (E_RNA) where: Base-Base interactions energy: -1079.086 where: short stacking energy: -517.367 Base-Backbone interact. energy: 0.341 local terms energy: -638.250428 where: bonds (distance) C4'-P energy: -133.503 bonds (distance) P-C4' energy: -141.291 flat angles C4'-P-C4' energy: -154.510 flat angles P-C4'-P energy: -95.828 tors. eta vs tors. theta energy: -113.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1557.295003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.295003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.295003 (E_RNA) where: Base-Base interactions energy: -953.169 where: short stacking energy: -463.260 Base-Backbone interact. energy: -0.773 local terms energy: -603.352525 where: bonds (distance) C4'-P energy: -117.018 bonds (distance) P-C4' energy: -151.487 flat angles C4'-P-C4' energy: -143.658 flat angles P-C4'-P energy: -100.165 tors. eta vs tors. theta energy: -91.024 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: 37 Temperature: 1.200000 Total energy: -1369.422502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.422502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.422502 (E_RNA) where: Base-Base interactions energy: -795.392 where: short stacking energy: -376.304 Base-Backbone interact. energy: 3.446 local terms energy: -577.475908 where: bonds (distance) C4'-P energy: -134.975 bonds (distance) P-C4' energy: -152.078 flat angles C4'-P-C4' energy: -147.350 flat angles P-C4'-P energy: -87.367 tors. eta vs tors. theta energy: -55.705 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: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -986.716857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.716857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.716857 (E_RNA) where: Base-Base interactions energy: -511.484 where: short stacking energy: -306.925 Base-Backbone interact. energy: -3.414 local terms energy: -471.818867 where: bonds (distance) C4'-P energy: -136.901 bonds (distance) P-C4' energy: -140.875 flat angles C4'-P-C4' energy: -127.792 flat angles P-C4'-P energy: -62.303 tors. eta vs tors. theta energy: -3.949 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: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -677.690668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.690668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.690668 (E_RNA) where: Base-Base interactions energy: -235.615 where: short stacking energy: -161.045 Base-Backbone interact. energy: -1.237 local terms energy: -440.838363 where: bonds (distance) C4'-P energy: -129.189 bonds (distance) P-C4' energy: -152.929 flat angles C4'-P-C4' energy: -136.413 flat angles P-C4'-P energy: -55.882 tors. eta vs tors. theta energy: 33.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -623.655294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.655294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.655294 (E_RNA) where: Base-Base interactions energy: -223.451 where: short stacking energy: -157.771 Base-Backbone interact. energy: -0.259 local terms energy: -399.945383 where: bonds (distance) C4'-P energy: -156.195 bonds (distance) P-C4' energy: -143.200 flat angles C4'-P-C4' energy: -97.256 flat angles P-C4'-P energy: -50.035 tors. eta vs tors. theta energy: 46.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2476.266845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.266845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.266845 (E_RNA) where: Base-Base interactions energy: -1673.944 where: short stacking energy: -728.492 Base-Backbone interact. energy: 0.101 local terms energy: -802.424653 where: bonds (distance) C4'-P energy: -161.563 bonds (distance) P-C4' energy: -153.006 flat angles C4'-P-C4' energy: -172.716 flat angles P-C4'-P energy: -117.934 tors. eta vs tors. theta energy: -197.206 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: 38 Temperature: 0.950000 Total energy: -2373.463841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.463841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.463841 (E_RNA) where: Base-Base interactions energy: -1604.119 where: short stacking energy: -702.872 Base-Backbone interact. energy: -4.837 local terms energy: -764.508318 where: bonds (distance) C4'-P energy: -135.351 bonds (distance) P-C4' energy: -157.341 flat angles C4'-P-C4' energy: -181.030 flat angles P-C4'-P energy: -106.235 tors. eta vs tors. theta energy: -184.553 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: 7 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2092.142652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.142652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.142652 (E_RNA) where: Base-Base interactions energy: -1311.881 where: short stacking energy: -646.206 Base-Backbone interact. energy: -0.620 local terms energy: -779.641135 where: bonds (distance) C4'-P energy: -155.860 bonds (distance) P-C4' energy: -161.895 flat angles C4'-P-C4' energy: -155.623 flat angles P-C4'-P energy: -112.423 tors. eta vs tors. theta energy: -193.841 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: 9 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1918.221406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.221406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.221406 (E_RNA) where: Base-Base interactions energy: -1196.859 where: short stacking energy: -572.367 Base-Backbone interact. energy: -3.649 local terms energy: -717.713324 where: bonds (distance) C4'-P energy: -157.406 bonds (distance) P-C4' energy: -164.227 flat angles C4'-P-C4' energy: -144.713 flat angles P-C4'-P energy: -96.972 tors. eta vs tors. theta energy: -154.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1780.392996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.392996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.392996 (E_RNA) where: Base-Base interactions energy: -1101.265 where: short stacking energy: -529.833 Base-Backbone interact. energy: -1.311 local terms energy: -677.817061 where: bonds (distance) C4'-P energy: -143.385 bonds (distance) P-C4' energy: -150.054 flat angles C4'-P-C4' energy: -155.681 flat angles P-C4'-P energy: -96.858 tors. eta vs tors. theta energy: -131.839 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: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1526.435834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.435834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.435834 (E_RNA) where: Base-Base interactions energy: -966.970 where: short stacking energy: -415.500 Base-Backbone interact. energy: -2.621 local terms energy: -556.844988 where: bonds (distance) C4'-P energy: -127.825 bonds (distance) P-C4' energy: -157.389 flat angles C4'-P-C4' energy: -140.670 flat angles P-C4'-P energy: -69.675 tors. eta vs tors. theta energy: -61.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1363.096413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.096413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.096413 (E_RNA) where: Base-Base interactions energy: -810.921 where: short stacking energy: -422.014 Base-Backbone interact. energy: 6.036 local terms energy: -558.211496 where: bonds (distance) C4'-P energy: -143.840 bonds (distance) P-C4' energy: -126.523 flat angles C4'-P-C4' energy: -134.436 flat angles P-C4'-P energy: -81.071 tors. eta vs tors. theta energy: -72.341 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: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1092.480609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.480609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.480609 (E_RNA) where: Base-Base interactions energy: -576.086 where: short stacking energy: -298.182 Base-Backbone interact. energy: -1.097 local terms energy: -515.297923 where: bonds (distance) C4'-P energy: -146.327 bonds (distance) P-C4' energy: -150.213 flat angles C4'-P-C4' energy: -130.515 flat angles P-C4'-P energy: -69.627 tors. eta vs tors. theta energy: -18.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -730.623304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.623304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.623304 (E_RNA) where: Base-Base interactions energy: -280.509 where: short stacking energy: -223.594 Base-Backbone interact. energy: 5.044 local terms energy: -455.158033 where: bonds (distance) C4'-P energy: -142.651 bonds (distance) P-C4' energy: -152.897 flat angles C4'-P-C4' energy: -90.417 flat angles P-C4'-P energy: -63.412 tors. eta vs tors. theta energy: -5.781 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: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -607.641765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.641765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.641765 (E_RNA) where: Base-Base interactions energy: -183.085 where: short stacking energy: -166.230 Base-Backbone interact. energy: -1.976 local terms energy: -422.580553 where: bonds (distance) C4'-P energy: -120.579 bonds (distance) P-C4' energy: -146.243 flat angles C4'-P-C4' energy: -103.416 flat angles P-C4'-P energy: -69.959 tors. eta vs tors. theta energy: 17.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2466.170152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.170152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.170152 (E_RNA) where: Base-Base interactions energy: -1618.255 where: short stacking energy: -701.741 Base-Backbone interact. energy: 0.592 local terms energy: -848.507079 where: bonds (distance) C4'-P energy: -167.829 bonds (distance) P-C4' energy: -183.288 flat angles C4'-P-C4' energy: -193.113 flat angles P-C4'-P energy: -120.767 tors. eta vs tors. theta energy: -183.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2361.832532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.832532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.832532 (E_RNA) where: Base-Base interactions energy: -1582.206 where: short stacking energy: -671.663 Base-Backbone interact. energy: -2.210 local terms energy: -777.416565 where: bonds (distance) C4'-P energy: -161.970 bonds (distance) P-C4' energy: -167.026 flat angles C4'-P-C4' energy: -171.766 flat angles P-C4'-P energy: -118.977 tors. eta vs tors. theta energy: -157.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2084.271327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.271327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.271327 (E_RNA) where: Base-Base interactions energy: -1326.602 where: short stacking energy: -644.486 Base-Backbone interact. energy: 3.410 local terms energy: -761.079135 where: bonds (distance) C4'-P energy: -152.101 bonds (distance) P-C4' energy: -149.017 flat angles C4'-P-C4' energy: -166.783 flat angles P-C4'-P energy: -111.216 tors. eta vs tors. theta energy: -181.963 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: 4, replica: 9 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1994.416114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.416114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.416114 (E_RNA) where: Base-Base interactions energy: -1255.172 where: short stacking energy: -626.506 Base-Backbone interact. energy: -3.497 local terms energy: -735.747871 where: bonds (distance) C4'-P energy: -157.059 bonds (distance) P-C4' energy: -139.972 flat angles C4'-P-C4' energy: -174.331 flat angles P-C4'-P energy: -99.126 tors. eta vs tors. theta energy: -165.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1782.492726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.492726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.492726 (E_RNA) where: Base-Base interactions energy: -1115.433 where: short stacking energy: -522.818 Base-Backbone interact. energy: -4.229 local terms energy: -662.831028 where: bonds (distance) C4'-P energy: -152.647 bonds (distance) P-C4' energy: -153.605 flat angles C4'-P-C4' energy: -155.833 flat angles P-C4'-P energy: -81.634 tors. eta vs tors. theta energy: -119.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1450.626905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.626905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.626905 (E_RNA) where: Base-Base interactions energy: -873.424 where: short stacking energy: -425.853 Base-Backbone interact. energy: 8.978 local terms energy: -586.180808 where: bonds (distance) C4'-P energy: -126.531 bonds (distance) P-C4' energy: -135.842 flat angles C4'-P-C4' energy: -168.805 flat angles P-C4'-P energy: -88.563 tors. eta vs tors. theta energy: -66.439 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: 39 Temperature: 1.200000 Total energy: -1369.706191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.706191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.706191 (E_RNA) where: Base-Base interactions energy: -817.195 where: short stacking energy: -427.514 Base-Backbone interact. energy: 1.933 local terms energy: -554.443815 where: bonds (distance) C4'-P energy: -138.208 bonds (distance) P-C4' energy: -132.963 flat angles C4'-P-C4' energy: -139.361 flat angles P-C4'-P energy: -71.936 tors. eta vs tors. theta energy: -71.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1073.657696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.657696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.657696 (E_RNA) where: Base-Base interactions energy: -570.329 where: short stacking energy: -296.663 Base-Backbone interact. energy: -2.726 local terms energy: -500.603306 where: bonds (distance) C4'-P energy: -138.558 bonds (distance) P-C4' energy: -148.174 flat angles C4'-P-C4' energy: -120.285 flat angles P-C4'-P energy: -84.526 tors. eta vs tors. theta energy: -9.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -711.981302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.981302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.981302 (E_RNA) where: Base-Base interactions energy: -267.091 where: short stacking energy: -205.185 Base-Backbone interact. energy: -2.622 local terms energy: -442.268622 where: bonds (distance) C4'-P energy: -117.970 bonds (distance) P-C4' energy: -149.179 flat angles C4'-P-C4' energy: -141.187 flat angles P-C4'-P energy: -49.709 tors. eta vs tors. theta energy: 15.776 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: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -643.762307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.762307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.762307 (E_RNA) where: Base-Base interactions energy: -234.727 where: short stacking energy: -166.087 Base-Backbone interact. energy: -2.862 local terms energy: -406.173504 where: bonds (distance) C4'-P energy: -118.851 bonds (distance) P-C4' energy: -154.450 flat angles C4'-P-C4' energy: -110.971 flat angles P-C4'-P energy: -57.195 tors. eta vs tors. theta energy: 35.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2458.217902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.217902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.217902 (E_RNA) where: Base-Base interactions energy: -1639.502 where: short stacking energy: -732.995 Base-Backbone interact. energy: -2.407 local terms energy: -816.309440 where: bonds (distance) C4'-P energy: -154.822 bonds (distance) P-C4' energy: -160.647 flat angles C4'-P-C4' energy: -189.133 flat angles P-C4'-P energy: -108.946 tors. eta vs tors. theta energy: -202.763 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: 8 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2339.580508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.580508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.580508 (E_RNA) where: Base-Base interactions energy: -1600.866 where: short stacking energy: -632.106 Base-Backbone interact. energy: -2.140 local terms energy: -736.574553 where: bonds (distance) C4'-P energy: -137.399 bonds (distance) P-C4' energy: -154.592 flat angles C4'-P-C4' energy: -166.612 flat angles P-C4'-P energy: -122.941 tors. eta vs tors. theta energy: -155.030 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: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2138.212138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.212138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.212138 (E_RNA) where: Base-Base interactions energy: -1352.802 where: short stacking energy: -645.353 Base-Backbone interact. energy: 0.400 local terms energy: -785.810015 where: bonds (distance) C4'-P energy: -146.757 bonds (distance) P-C4' energy: -163.550 flat angles C4'-P-C4' energy: -185.382 flat angles P-C4'-P energy: -114.563 tors. eta vs tors. theta energy: -175.558 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: 4, replica: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1938.989470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.989470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.989470 (E_RNA) where: Base-Base interactions energy: -1209.007 where: short stacking energy: -587.591 Base-Backbone interact. energy: -2.702 local terms energy: -727.280223 where: bonds (distance) C4'-P energy: -165.251 bonds (distance) P-C4' energy: -141.130 flat angles C4'-P-C4' energy: -172.123 flat angles P-C4'-P energy: -108.169 tors. eta vs tors. theta energy: -140.606 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: 40 Temperature: 1.100000 Total energy: -1726.567245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.567245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.567245 (E_RNA) where: Base-Base interactions energy: -1081.400 where: short stacking energy: -493.195 Base-Backbone interact. energy: 1.477 local terms energy: -646.643598 where: bonds (distance) C4'-P energy: -156.123 bonds (distance) P-C4' energy: -138.540 flat angles C4'-P-C4' energy: -151.477 flat angles P-C4'-P energy: -94.444 tors. eta vs tors. theta energy: -106.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1412.735933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.735933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.735933 (E_RNA) where: Base-Base interactions energy: -793.057 where: short stacking energy: -402.669 Base-Backbone interact. energy: -0.312 local terms energy: -619.366556 where: bonds (distance) C4'-P energy: -147.028 bonds (distance) P-C4' energy: -136.822 flat angles C4'-P-C4' energy: -143.573 flat angles P-C4'-P energy: -113.950 tors. eta vs tors. theta energy: -77.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1361.882480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.882480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.882480 (E_RNA) where: Base-Base interactions energy: -779.950 where: short stacking energy: -418.418 Base-Backbone interact. energy: 1.113 local terms energy: -583.045437 where: bonds (distance) C4'-P energy: -137.965 bonds (distance) P-C4' energy: -143.546 flat angles C4'-P-C4' energy: -136.908 flat angles P-C4'-P energy: -99.807 tors. eta vs tors. theta energy: -64.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1064.466434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.466434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.466434 (E_RNA) where: Base-Base interactions energy: -570.802 where: short stacking energy: -311.812 Base-Backbone interact. energy: -2.052 local terms energy: -491.612470 where: bonds (distance) C4'-P energy: -111.579 bonds (distance) P-C4' energy: -157.843 flat angles C4'-P-C4' energy: -116.384 flat angles P-C4'-P energy: -69.690 tors. eta vs tors. theta energy: -36.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -658.437037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.437037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.437037 (E_RNA) where: Base-Base interactions energy: -222.001 where: short stacking energy: -201.787 Base-Backbone interact. energy: 6.565 local terms energy: -443.001054 where: bonds (distance) C4'-P energy: -123.990 bonds (distance) P-C4' energy: -143.992 flat angles C4'-P-C4' energy: -115.880 flat angles P-C4'-P energy: -67.548 tors. eta vs tors. theta energy: 8.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -632.160539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.160539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.160539 (E_RNA) where: Base-Base interactions energy: -248.651 where: short stacking energy: -179.455 Base-Backbone interact. energy: -0.780 local terms energy: -382.730377 where: bonds (distance) C4'-P energy: -120.670 bonds (distance) P-C4' energy: -141.776 flat angles C4'-P-C4' energy: -92.435 flat angles P-C4'-P energy: -56.471 tors. eta vs tors. theta energy: 28.622 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: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2451.197596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.197596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.197596 (E_RNA) where: Base-Base interactions energy: -1671.431 where: short stacking energy: -717.072 Base-Backbone interact. energy: -2.407 local terms energy: -777.360080 where: bonds (distance) C4'-P energy: -161.397 bonds (distance) P-C4' energy: -153.034 flat angles C4'-P-C4' energy: -169.990 flat angles P-C4'-P energy: -114.453 tors. eta vs tors. theta energy: -178.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2344.665044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.665044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.665044 (E_RNA) where: Base-Base interactions energy: -1557.420 where: short stacking energy: -679.710 Base-Backbone interact. energy: -4.681 local terms energy: -782.563248 where: bonds (distance) C4'-P energy: -146.116 bonds (distance) P-C4' energy: -189.194 flat angles C4'-P-C4' energy: -165.292 flat angles P-C4'-P energy: -109.692 tors. eta vs tors. theta energy: -172.269 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: 3, replica: 7 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2183.807369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.807369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.807369 (E_RNA) where: Base-Base interactions energy: -1454.837 where: short stacking energy: -681.366 Base-Backbone interact. energy: 4.791 local terms energy: -733.760683 where: bonds (distance) C4'-P energy: -136.560 bonds (distance) P-C4' energy: -153.531 flat angles C4'-P-C4' energy: -171.572 flat angles P-C4'-P energy: -97.027 tors. eta vs tors. theta energy: -175.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1952.739711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.739711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.739711 (E_RNA) where: Base-Base interactions energy: -1226.197 where: short stacking energy: -590.469 Base-Backbone interact. energy: 0.248 local terms energy: -726.790920 where: bonds (distance) C4'-P energy: -160.275 bonds (distance) P-C4' energy: -157.046 flat angles C4'-P-C4' energy: -157.006 flat angles P-C4'-P energy: -113.840 tors. eta vs tors. theta energy: -138.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1741.396336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.396336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.396336 (E_RNA) where: Base-Base interactions energy: -1067.371 where: short stacking energy: -515.792 Base-Backbone interact. energy: -0.653 local terms energy: -673.371992 where: bonds (distance) C4'-P energy: -134.412 bonds (distance) P-C4' energy: -168.290 flat angles C4'-P-C4' energy: -155.924 flat angles P-C4'-P energy: -108.962 tors. eta vs tors. theta energy: -105.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1537.335936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.335936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.335936 (E_RNA) where: Base-Base interactions energy: -958.171 where: short stacking energy: -458.734 Base-Backbone interact. energy: -0.811 local terms energy: -578.354153 where: bonds (distance) C4'-P energy: -140.242 bonds (distance) P-C4' energy: -151.727 flat angles C4'-P-C4' energy: -130.340 flat angles P-C4'-P energy: -86.522 tors. eta vs tors. theta energy: -69.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1378.594186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.594186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.594186 (E_RNA) where: Base-Base interactions energy: -789.367 where: short stacking energy: -375.241 Base-Backbone interact. energy: 1.077 local terms energy: -590.304214 where: bonds (distance) C4'-P energy: -156.462 bonds (distance) P-C4' energy: -149.975 flat angles C4'-P-C4' energy: -133.122 flat angles P-C4'-P energy: -100.568 tors. eta vs tors. theta energy: -50.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1117.953069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.953069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.953069 (E_RNA) where: Base-Base interactions energy: -583.579 where: short stacking energy: -292.032 Base-Backbone interact. energy: -1.818 local terms energy: -532.555701 where: bonds (distance) C4'-P energy: -131.377 bonds (distance) P-C4' energy: -148.471 flat angles C4'-P-C4' energy: -113.600 flat angles P-C4'-P energy: -94.195 tors. eta vs tors. theta energy: -44.913 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: 9, replica: 1 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -715.781049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.781049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.781049 (E_RNA) where: Base-Base interactions energy: -273.799 where: short stacking energy: -192.556 Base-Backbone interact. energy: 1.605 local terms energy: -443.587812 where: bonds (distance) C4'-P energy: -128.702 bonds (distance) P-C4' energy: -137.950 flat angles C4'-P-C4' energy: -125.068 flat angles P-C4'-P energy: -72.340 tors. eta vs tors. theta energy: 20.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -596.526009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.526009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.526009 (E_RNA) where: Base-Base interactions energy: -190.770 where: short stacking energy: -169.611 Base-Backbone interact. energy: -1.379 local terms energy: -404.377016 where: bonds (distance) C4'-P energy: -130.405 bonds (distance) P-C4' energy: -152.876 flat angles C4'-P-C4' energy: -101.176 flat angles P-C4'-P energy: -60.172 tors. eta vs tors. theta energy: 40.252 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: 8 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2484.197606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.197606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.197606 (E_RNA) where: Base-Base interactions energy: -1673.378 where: short stacking energy: -707.036 Base-Backbone interact. energy: 4.413 local terms energy: -815.233078 where: bonds (distance) C4'-P energy: -158.664 bonds (distance) P-C4' energy: -171.726 flat angles C4'-P-C4' energy: -170.039 flat angles P-C4'-P energy: -115.998 tors. eta vs tors. theta energy: -198.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2400.185983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.185983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.185983 (E_RNA) where: Base-Base interactions energy: -1608.648 where: short stacking energy: -694.096 Base-Backbone interact. energy: -3.102 local terms energy: -788.435425 where: bonds (distance) C4'-P energy: -163.810 bonds (distance) P-C4' energy: -163.845 flat angles C4'-P-C4' energy: -159.802 flat angles P-C4'-P energy: -121.053 tors. eta vs tors. theta energy: -179.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2174.583843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.583843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.583843 (E_RNA) where: Base-Base interactions energy: -1424.739 where: short stacking energy: -639.214 Base-Backbone interact. energy: 3.861 local terms energy: -753.704965 where: bonds (distance) C4'-P energy: -152.573 bonds (distance) P-C4' energy: -168.089 flat angles C4'-P-C4' energy: -172.807 flat angles P-C4'-P energy: -89.911 tors. eta vs tors. theta energy: -170.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2037.785022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.785022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.785022 (E_RNA) where: Base-Base interactions energy: -1297.628 where: short stacking energy: -610.765 Base-Backbone interact. energy: -4.212 local terms energy: -735.945055 where: bonds (distance) C4'-P energy: -154.141 bonds (distance) P-C4' energy: -154.618 flat angles C4'-P-C4' energy: -151.458 flat angles P-C4'-P energy: -105.758 tors. eta vs tors. theta energy: -169.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1834.861580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.861580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.861580 (E_RNA) where: Base-Base interactions energy: -1182.352 where: short stacking energy: -566.438 Base-Backbone interact. energy: 0.054 local terms energy: -652.563842 where: bonds (distance) C4'-P energy: -152.215 bonds (distance) P-C4' energy: -141.019 flat angles C4'-P-C4' energy: -155.090 flat angles P-C4'-P energy: -84.495 tors. eta vs tors. theta energy: -119.744 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: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1576.378380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.378380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.378380 (E_RNA) where: Base-Base interactions energy: -951.954 where: short stacking energy: -442.786 Base-Backbone interact. energy: -3.589 local terms energy: -620.834986 where: bonds (distance) C4'-P energy: -141.571 bonds (distance) P-C4' energy: -154.599 flat angles C4'-P-C4' energy: -140.502 flat angles P-C4'-P energy: -99.817 tors. eta vs tors. theta energy: -84.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1382.362835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.362835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.362835 (E_RNA) where: Base-Base interactions energy: -781.779 where: short stacking energy: -407.601 Base-Backbone interact. energy: -1.530 local terms energy: -599.053994 where: bonds (distance) C4'-P energy: -149.317 bonds (distance) P-C4' energy: -140.676 flat angles C4'-P-C4' energy: -158.812 flat angles P-C4'-P energy: -74.916 tors. eta vs tors. theta energy: -75.334 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: 4 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1123.380997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.380997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.380997 (E_RNA) where: Base-Base interactions energy: -628.790 where: short stacking energy: -316.449 Base-Backbone interact. energy: 0.865 local terms energy: -495.455837 where: bonds (distance) C4'-P energy: -136.242 bonds (distance) P-C4' energy: -129.902 flat angles C4'-P-C4' energy: -118.069 flat angles P-C4'-P energy: -77.957 tors. eta vs tors. theta energy: -33.286 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: 1 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -710.064433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.064433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.064433 (E_RNA) where: Base-Base interactions energy: -285.697 where: short stacking energy: -188.867 Base-Backbone interact. energy: 0.385 local terms energy: -424.752622 where: bonds (distance) C4'-P energy: -126.594 bonds (distance) P-C4' energy: -130.500 flat angles C4'-P-C4' energy: -105.312 flat angles P-C4'-P energy: -91.768 tors. eta vs tors. theta energy: 29.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -622.567002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.567002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.567002 (E_RNA) where: Base-Base interactions energy: -208.394 where: short stacking energy: -172.910 Base-Backbone interact. energy: 2.093 local terms energy: -416.265356 where: bonds (distance) C4'-P energy: -146.103 bonds (distance) P-C4' energy: -131.807 flat angles C4'-P-C4' energy: -102.591 flat angles P-C4'-P energy: -60.649 tors. eta vs tors. theta energy: 24.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2526.132491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.132491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.132491 (E_RNA) where: Base-Base interactions energy: -1691.816 where: short stacking energy: -723.288 Base-Backbone interact. energy: -5.355 local terms energy: -828.961031 where: bonds (distance) C4'-P energy: -163.035 bonds (distance) P-C4' energy: -167.956 flat angles C4'-P-C4' energy: -174.120 flat angles P-C4'-P energy: -124.385 tors. eta vs tors. theta energy: -199.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2388.967276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.967276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.967276 (E_RNA) where: Base-Base interactions energy: -1605.310 where: short stacking energy: -703.113 Base-Backbone interact. energy: -2.821 local terms energy: -780.836563 where: bonds (distance) C4'-P energy: -156.129 bonds (distance) P-C4' energy: -148.363 flat angles C4'-P-C4' energy: -176.057 flat angles P-C4'-P energy: -117.571 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: 3, replica: 7 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2212.334944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.334944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.334944 (E_RNA) where: Base-Base interactions energy: -1430.539 where: short stacking energy: -677.519 Base-Backbone interact. energy: -1.226 local terms energy: -780.570550 where: bonds (distance) C4'-P energy: -166.820 bonds (distance) P-C4' energy: -166.103 flat angles C4'-P-C4' energy: -166.129 flat angles P-C4'-P energy: -90.279 tors. eta vs tors. theta energy: -191.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2047.747527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.747527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.747527 (E_RNA) where: Base-Base interactions energy: -1302.308 where: short stacking energy: -631.107 Base-Backbone interact. energy: -2.218 local terms energy: -743.221900 where: bonds (distance) C4'-P energy: -147.340 bonds (distance) P-C4' energy: -163.547 flat angles C4'-P-C4' energy: -180.396 flat angles P-C4'-P energy: -91.800 tors. eta vs tors. theta energy: -160.139 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: 43 Temperature: 1.100000 Total energy: -1784.056612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.056612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.056612 (E_RNA) where: Base-Base interactions energy: -1132.713 where: short stacking energy: -530.199 Base-Backbone interact. energy: -1.777 local terms energy: -649.565929 where: bonds (distance) C4'-P energy: -138.789 bonds (distance) P-C4' energy: -147.630 flat angles C4'-P-C4' energy: -142.533 flat angles P-C4'-P energy: -108.244 tors. eta vs tors. theta energy: -112.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1547.870426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.870426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.870426 (E_RNA) where: Base-Base interactions energy: -945.404 where: short stacking energy: -475.916 Base-Backbone interact. energy: 6.288 local terms energy: -608.754435 where: bonds (distance) C4'-P energy: -127.644 bonds (distance) P-C4' energy: -141.899 flat angles C4'-P-C4' energy: -148.991 flat angles P-C4'-P energy: -90.220 tors. eta vs tors. theta energy: -100.000 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: 43 Temperature: 1.200000 Total energy: -1420.980940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.980940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.980940 (E_RNA) where: Base-Base interactions energy: -807.067 where: short stacking energy: -402.992 Base-Backbone interact. energy: -2.594 local terms energy: -611.319990 where: bonds (distance) C4'-P energy: -153.319 bonds (distance) P-C4' energy: -139.153 flat angles C4'-P-C4' energy: -124.333 flat angles P-C4'-P energy: -115.146 tors. eta vs tors. theta energy: -79.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1143.367063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.367063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.367063 (E_RNA) where: Base-Base interactions energy: -612.060 where: short stacking energy: -346.259 Base-Backbone interact. energy: -2.888 local terms energy: -528.418724 where: bonds (distance) C4'-P energy: -140.999 bonds (distance) P-C4' energy: -142.048 flat angles C4'-P-C4' energy: -120.901 flat angles P-C4'-P energy: -75.233 tors. eta vs tors. theta energy: -49.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -706.060245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.060245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.060245 (E_RNA) where: Base-Base interactions energy: -284.337 where: short stacking energy: -184.300 Base-Backbone interact. energy: -0.564 local terms energy: -421.160138 where: bonds (distance) C4'-P energy: -123.308 bonds (distance) P-C4' energy: -135.726 flat angles C4'-P-C4' energy: -109.002 flat angles P-C4'-P energy: -89.116 tors. eta vs tors. theta energy: 35.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -645.978075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.978075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.978075 (E_RNA) where: Base-Base interactions energy: -239.358 where: short stacking energy: -193.578 Base-Backbone interact. energy: -0.636 local terms energy: -405.983822 where: bonds (distance) C4'-P energy: -136.020 bonds (distance) P-C4' energy: -149.572 flat angles C4'-P-C4' energy: -106.876 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: 47.288 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: 8 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2545.599498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.599498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.599498 (E_RNA) where: Base-Base interactions energy: -1726.323 where: short stacking energy: -747.461 Base-Backbone interact. energy: -6.496 local terms energy: -812.780470 where: bonds (distance) C4'-P energy: -137.641 bonds (distance) P-C4' energy: -162.989 flat angles C4'-P-C4' energy: -186.442 flat angles P-C4'-P energy: -122.644 tors. eta vs tors. theta energy: -203.065 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: 3 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2373.216815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.216815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.216815 (E_RNA) where: Base-Base interactions energy: -1587.177 where: short stacking energy: -685.024 Base-Backbone interact. energy: -4.740 local terms energy: -781.299279 where: bonds (distance) C4'-P energy: -146.757 bonds (distance) P-C4' energy: -162.407 flat angles C4'-P-C4' energy: -182.653 flat angles P-C4'-P energy: -104.026 tors. eta vs tors. theta energy: -185.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2160.855720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.855720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.855720 (E_RNA) where: Base-Base interactions energy: -1355.142 where: short stacking energy: -640.557 Base-Backbone interact. energy: -2.022 local terms energy: -803.691774 where: bonds (distance) C4'-P energy: -151.066 bonds (distance) P-C4' energy: -161.553 flat angles C4'-P-C4' energy: -175.255 flat angles P-C4'-P energy: -130.307 tors. eta vs tors. theta energy: -185.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2079.966136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.966136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.966136 (E_RNA) where: Base-Base interactions energy: -1341.771 where: short stacking energy: -614.197 Base-Backbone interact. energy: -1.452 local terms energy: -736.743534 where: bonds (distance) C4'-P energy: -151.600 bonds (distance) P-C4' energy: -141.954 flat angles C4'-P-C4' energy: -178.448 flat angles P-C4'-P energy: -100.892 tors. eta vs tors. theta energy: -163.850 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: 5, replica: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1755.979729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.979729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.979729 (E_RNA) where: Base-Base interactions energy: -1091.870 where: short stacking energy: -523.935 Base-Backbone interact. energy: -2.552 local terms energy: -661.557798 where: bonds (distance) C4'-P energy: -150.176 bonds (distance) P-C4' energy: -138.811 flat angles C4'-P-C4' energy: -145.693 flat angles P-C4'-P energy: -106.243 tors. eta vs tors. theta energy: -120.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1590.043687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.043687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.043687 (E_RNA) where: Base-Base interactions energy: -966.231 where: short stacking energy: -467.345 Base-Backbone interact. energy: 0.598 local terms energy: -624.411170 where: bonds (distance) C4'-P energy: -141.326 bonds (distance) P-C4' energy: -142.550 flat angles C4'-P-C4' energy: -148.966 flat angles P-C4'-P energy: -92.298 tors. eta vs tors. theta energy: -99.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1469.955290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.955290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.955290 (E_RNA) where: Base-Base interactions energy: -898.248 where: short stacking energy: -407.665 Base-Backbone interact. energy: 1.772 local terms energy: -573.479718 where: bonds (distance) C4'-P energy: -127.754 bonds (distance) P-C4' energy: -130.876 flat angles C4'-P-C4' energy: -149.837 flat angles P-C4'-P energy: -77.622 tors. eta vs tors. theta energy: -87.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1096.427713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.427713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.427713 (E_RNA) where: Base-Base interactions energy: -576.028 where: short stacking energy: -311.631 Base-Backbone interact. energy: 1.638 local terms energy: -522.037928 where: bonds (distance) C4'-P energy: -142.709 bonds (distance) P-C4' energy: -136.605 flat angles C4'-P-C4' energy: -125.458 flat angles P-C4'-P energy: -88.016 tors. eta vs tors. theta energy: -29.250 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: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -811.041514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.041514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.041514 (E_RNA) where: Base-Base interactions energy: -334.099 where: short stacking energy: -229.311 Base-Backbone interact. energy: 1.380 local terms energy: -478.322577 where: bonds (distance) C4'-P energy: -137.666 bonds (distance) P-C4' energy: -157.723 flat angles C4'-P-C4' energy: -127.867 flat angles P-C4'-P energy: -57.418 tors. eta vs tors. theta energy: 2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -691.473245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.473245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.473245 (E_RNA) where: Base-Base interactions energy: -329.517 where: short stacking energy: -214.731 Base-Backbone interact. energy: 1.651 local terms energy: -363.607432 where: bonds (distance) C4'-P energy: -109.638 bonds (distance) P-C4' energy: -127.160 flat angles C4'-P-C4' energy: -111.556 flat angles P-C4'-P energy: -34.475 tors. eta vs tors. theta energy: 19.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2570.406831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.406831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.406831 (E_RNA) where: Base-Base interactions energy: -1762.626 where: short stacking energy: -700.510 Base-Backbone interact. energy: -5.258 local terms energy: -802.522793 where: bonds (distance) C4'-P energy: -155.624 bonds (distance) P-C4' energy: -167.525 flat angles C4'-P-C4' energy: -178.556 flat angles P-C4'-P energy: -120.222 tors. eta vs tors. theta energy: -180.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2371.464761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.464761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.464761 (E_RNA) where: Base-Base interactions energy: -1558.239 where: short stacking energy: -682.889 Base-Backbone interact. energy: -4.156 local terms energy: -809.069410 where: bonds (distance) C4'-P energy: -173.387 bonds (distance) P-C4' energy: -163.607 flat angles C4'-P-C4' energy: -185.683 flat angles P-C4'-P energy: -100.903 tors. eta vs tors. theta energy: -185.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2215.852703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.852703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.852703 (E_RNA) where: Base-Base interactions energy: -1406.974 where: short stacking energy: -703.082 Base-Backbone interact. energy: -4.510 local terms energy: -804.368962 where: bonds (distance) C4'-P energy: -138.472 bonds (distance) P-C4' energy: -162.569 flat angles C4'-P-C4' energy: -193.377 flat angles P-C4'-P energy: -122.053 tors. eta vs tors. theta energy: -187.898 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: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2073.855625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.855625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.855625 (E_RNA) where: Base-Base interactions energy: -1319.155 where: short stacking energy: -647.674 Base-Backbone interact. energy: 0.253 local terms energy: -754.953576 where: bonds (distance) C4'-P energy: -137.901 bonds (distance) P-C4' energy: -173.064 flat angles C4'-P-C4' energy: -150.715 flat angles P-C4'-P energy: -119.057 tors. eta vs tors. theta energy: -174.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1835.757277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.757277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.757277 (E_RNA) where: Base-Base interactions energy: -1150.349 where: short stacking energy: -522.212 Base-Backbone interact. energy: -1.066 local terms energy: -684.342970 where: bonds (distance) C4'-P energy: -159.356 bonds (distance) P-C4' energy: -147.760 flat angles C4'-P-C4' energy: -154.331 flat angles P-C4'-P energy: -102.185 tors. eta vs tors. theta energy: -120.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1570.002897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.002897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.002897 (E_RNA) where: Base-Base interactions energy: -926.509 where: short stacking energy: -470.387 Base-Backbone interact. energy: -3.099 local terms energy: -640.394430 where: bonds (distance) C4'-P energy: -150.867 bonds (distance) P-C4' energy: -146.499 flat angles C4'-P-C4' energy: -160.950 flat angles P-C4'-P energy: -89.458 tors. eta vs tors. theta energy: -92.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1413.301463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.301463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.301463 (E_RNA) where: Base-Base interactions energy: -863.357 where: short stacking energy: -428.029 Base-Backbone interact. energy: -4.178 local terms energy: -545.766700 where: bonds (distance) C4'-P energy: -113.125 bonds (distance) P-C4' energy: -132.042 flat angles C4'-P-C4' energy: -147.692 flat angles P-C4'-P energy: -85.680 tors. eta vs tors. theta energy: -67.228 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: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1101.756639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.756639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.756639 (E_RNA) where: Base-Base interactions energy: -576.871 where: short stacking energy: -331.292 Base-Backbone interact. energy: 4.866 local terms energy: -529.751321 where: bonds (distance) C4'-P energy: -132.308 bonds (distance) P-C4' energy: -156.172 flat angles C4'-P-C4' energy: -115.367 flat angles P-C4'-P energy: -88.351 tors. eta vs tors. theta energy: -37.553 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: 9, replica: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -804.497684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.497684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.497684 (E_RNA) where: Base-Base interactions energy: -348.694 where: short stacking energy: -217.583 Base-Backbone interact. energy: -4.726 local terms energy: -451.077754 where: bonds (distance) C4'-P energy: -138.808 bonds (distance) P-C4' energy: -133.715 flat angles C4'-P-C4' energy: -120.095 flat angles P-C4'-P energy: -64.487 tors. eta vs tors. theta energy: 6.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -672.934930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.934930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.934930 (E_RNA) where: Base-Base interactions energy: -273.582 where: short stacking energy: -176.874 Base-Backbone interact. energy: 4.435 local terms energy: -403.787394 where: bonds (distance) C4'-P energy: -130.437 bonds (distance) P-C4' energy: -121.496 flat angles C4'-P-C4' energy: -99.642 flat angles P-C4'-P energy: -72.078 tors. eta vs tors. theta energy: 19.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2582.126406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.126406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.126406 (E_RNA) where: Base-Base interactions energy: -1780.790 where: short stacking energy: -739.692 Base-Backbone interact. energy: 4.463 local terms energy: -805.798736 where: bonds (distance) C4'-P energy: -156.895 bonds (distance) P-C4' energy: -157.298 flat angles C4'-P-C4' energy: -178.541 flat angles P-C4'-P energy: -120.500 tors. eta vs tors. theta energy: -192.565 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: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2362.003164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.003164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.003164 (E_RNA) where: Base-Base interactions energy: -1573.684 where: short stacking energy: -685.959 Base-Backbone interact. energy: 1.960 local terms energy: -790.278864 where: bonds (distance) C4'-P energy: -149.196 bonds (distance) P-C4' energy: -181.610 flat angles C4'-P-C4' energy: -179.061 flat angles P-C4'-P energy: -98.042 tors. eta vs tors. theta energy: -182.370 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: 9 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2179.883436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.883436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.883436 (E_RNA) where: Base-Base interactions energy: -1404.527 where: short stacking energy: -671.832 Base-Backbone interact. energy: -0.919 local terms energy: -774.437518 where: bonds (distance) C4'-P energy: -142.401 bonds (distance) P-C4' energy: -172.962 flat angles C4'-P-C4' energy: -159.495 flat angles P-C4'-P energy: -110.096 tors. eta vs tors. theta energy: -189.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2068.159737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.159737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.159737 (E_RNA) where: Base-Base interactions energy: -1340.365 where: short stacking energy: -635.128 Base-Backbone interact. energy: -2.295 local terms energy: -725.499405 where: bonds (distance) C4'-P energy: -132.721 bonds (distance) P-C4' energy: -161.632 flat angles C4'-P-C4' energy: -149.929 flat angles P-C4'-P energy: -105.718 tors. eta vs tors. theta energy: -175.500 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: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1787.622508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.622508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.622508 (E_RNA) where: Base-Base interactions energy: -1122.272 where: short stacking energy: -533.776 Base-Backbone interact. energy: -1.004 local terms energy: -664.345690 where: bonds (distance) C4'-P energy: -143.845 bonds (distance) P-C4' energy: -124.074 flat angles C4'-P-C4' energy: -153.395 flat angles P-C4'-P energy: -122.546 tors. eta vs tors. theta energy: -120.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1581.141680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.141680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.141680 (E_RNA) where: Base-Base interactions energy: -990.693 where: short stacking energy: -488.461 Base-Backbone interact. energy: -1.034 local terms energy: -589.414499 where: bonds (distance) C4'-P energy: -136.358 bonds (distance) P-C4' energy: -139.645 flat angles C4'-P-C4' energy: -129.231 flat angles P-C4'-P energy: -87.993 tors. eta vs tors. theta energy: -96.187 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: 46 Temperature: 1.200000 Total energy: -1321.736612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.736612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.736612 (E_RNA) where: Base-Base interactions energy: -759.019 where: short stacking energy: -397.219 Base-Backbone interact. energy: 1.234 local terms energy: -563.952142 where: bonds (distance) C4'-P energy: -116.841 bonds (distance) P-C4' energy: -142.848 flat angles C4'-P-C4' energy: -147.537 flat angles P-C4'-P energy: -80.766 tors. eta vs tors. theta energy: -75.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1114.565861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.565861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.565861 (E_RNA) where: Base-Base interactions energy: -639.403 where: short stacking energy: -356.284 Base-Backbone interact. energy: 2.231 local terms energy: -477.394254 where: bonds (distance) C4'-P energy: -106.748 bonds (distance) P-C4' energy: -140.856 flat angles C4'-P-C4' energy: -130.039 flat angles P-C4'-P energy: -74.287 tors. eta vs tors. theta energy: -25.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -796.259963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.259963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.259963 (E_RNA) where: Base-Base interactions energy: -328.021 where: short stacking energy: -220.714 Base-Backbone interact. energy: 2.344 local terms energy: -470.583653 where: bonds (distance) C4'-P energy: -155.140 bonds (distance) P-C4' energy: -139.737 flat angles C4'-P-C4' energy: -107.871 flat angles P-C4'-P energy: -85.053 tors. eta vs tors. theta energy: 17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -649.286618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.286618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.286618 (E_RNA) where: Base-Base interactions energy: -232.111 where: short stacking energy: -171.046 Base-Backbone interact. energy: 2.779 local terms energy: -419.954250 where: bonds (distance) C4'-P energy: -121.384 bonds (distance) P-C4' energy: -134.975 flat angles C4'-P-C4' energy: -119.198 flat angles P-C4'-P energy: -65.259 tors. eta vs tors. theta energy: 20.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2569.768079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.768079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.768079 (E_RNA) where: Base-Base interactions energy: -1752.041 where: short stacking energy: -727.290 Base-Backbone interact. energy: -6.316 local terms energy: -811.410486 where: bonds (distance) C4'-P energy: -164.155 bonds (distance) P-C4' energy: -156.430 flat angles C4'-P-C4' energy: -184.867 flat angles P-C4'-P energy: -118.733 tors. eta vs tors. theta energy: -187.226 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: 2, replica: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2376.840337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.840337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.840337 (E_RNA) where: Base-Base interactions energy: -1582.563 where: short stacking energy: -656.890 Base-Backbone interact. energy: -2.225 local terms energy: -792.051547 where: bonds (distance) C4'-P energy: -163.591 bonds (distance) P-C4' energy: -176.893 flat angles C4'-P-C4' energy: -171.654 flat angles P-C4'-P energy: -106.109 tors. eta vs tors. theta energy: -173.804 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: 9 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2230.223153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.223153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.223153 (E_RNA) where: Base-Base interactions energy: -1450.592 where: short stacking energy: -712.187 Base-Backbone interact. energy: 1.470 local terms energy: -781.101286 where: bonds (distance) C4'-P energy: -160.758 bonds (distance) P-C4' energy: -145.283 flat angles C4'-P-C4' energy: -180.500 flat angles P-C4'-P energy: -94.926 tors. eta vs tors. theta energy: -199.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2061.633509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.633509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.633509 (E_RNA) where: Base-Base interactions energy: -1373.219 where: short stacking energy: -605.405 Base-Backbone interact. energy: -2.231 local terms energy: -686.183657 where: bonds (distance) C4'-P energy: -156.687 bonds (distance) P-C4' energy: -143.538 flat angles C4'-P-C4' energy: -162.636 flat angles P-C4'-P energy: -64.013 tors. eta vs tors. theta energy: -159.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1736.633759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.633759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.633759 (E_RNA) where: Base-Base interactions energy: -1078.959 where: short stacking energy: -541.947 Base-Backbone interact. energy: -1.608 local terms energy: -656.066344 where: bonds (distance) C4'-P energy: -140.803 bonds (distance) P-C4' energy: -150.363 flat angles C4'-P-C4' energy: -151.207 flat angles P-C4'-P energy: -90.981 tors. eta vs tors. theta energy: -122.713 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: 47 Temperature: 1.150000 Total energy: -1602.546544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.546544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.546544 (E_RNA) where: Base-Base interactions energy: -987.560 where: short stacking energy: -481.729 Base-Backbone interact. energy: -2.157 local terms energy: -612.829624 where: bonds (distance) C4'-P energy: -138.871 bonds (distance) P-C4' energy: -142.390 flat angles C4'-P-C4' energy: -147.424 flat angles P-C4'-P energy: -81.532 tors. eta vs tors. theta energy: -102.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1319.774236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.774236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.774236 (E_RNA) where: Base-Base interactions energy: -757.337 where: short stacking energy: -361.349 Base-Backbone interact. energy: 1.148 local terms energy: -563.585072 where: bonds (distance) C4'-P energy: -126.599 bonds (distance) P-C4' energy: -168.538 flat angles C4'-P-C4' energy: -134.283 flat angles P-C4'-P energy: -69.045 tors. eta vs tors. theta energy: -65.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1146.477682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.477682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.477682 (E_RNA) where: Base-Base interactions energy: -599.183 where: short stacking energy: -319.855 Base-Backbone interact. energy: -0.495 local terms energy: -546.799846 where: bonds (distance) C4'-P energy: -131.738 bonds (distance) P-C4' energy: -166.033 flat angles C4'-P-C4' energy: -124.204 flat angles P-C4'-P energy: -83.966 tors. eta vs tors. theta energy: -40.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -828.225505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.225505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.225505 (E_RNA) where: Base-Base interactions energy: -381.138 where: short stacking energy: -234.015 Base-Backbone interact. energy: -2.147 local terms energy: -444.939988 where: bonds (distance) C4'-P energy: -134.111 bonds (distance) P-C4' energy: -135.275 flat angles C4'-P-C4' energy: -100.060 flat angles P-C4'-P energy: -83.008 tors. eta vs tors. theta energy: 7.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -679.224337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.224337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.224337 (E_RNA) where: Base-Base interactions energy: -291.499 where: short stacking energy: -201.657 Base-Backbone interact. energy: 2.291 local terms energy: -390.015816 where: bonds (distance) C4'-P energy: -129.878 bonds (distance) P-C4' energy: -136.521 flat angles C4'-P-C4' energy: -101.692 flat angles P-C4'-P energy: -51.220 tors. eta vs tors. theta energy: 29.295 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: 1, replica: 8 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2557.597384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.597384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.597384 (E_RNA) where: Base-Base interactions energy: -1751.767 where: short stacking energy: -716.474 Base-Backbone interact. energy: -0.676 local terms energy: -805.154187 where: bonds (distance) C4'-P energy: -172.124 bonds (distance) P-C4' energy: -159.506 flat angles C4'-P-C4' energy: -176.199 flat angles P-C4'-P energy: -115.755 tors. eta vs tors. theta energy: -181.570 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: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2368.439522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.439522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.439522 (E_RNA) where: Base-Base interactions energy: -1588.547 where: short stacking energy: -650.428 Base-Backbone interact. energy: -4.907 local terms energy: -774.985786 where: bonds (distance) C4'-P energy: -154.370 bonds (distance) P-C4' energy: -147.705 flat angles C4'-P-C4' energy: -170.973 flat angles P-C4'-P energy: -123.200 tors. eta vs tors. theta energy: -178.738 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: 9 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2159.894634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.894634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.894634 (E_RNA) where: Base-Base interactions energy: -1368.354 where: short stacking energy: -669.151 Base-Backbone interact. energy: 0.975 local terms energy: -792.515305 where: bonds (distance) C4'-P energy: -148.911 bonds (distance) P-C4' energy: -165.179 flat angles C4'-P-C4' energy: -181.788 flat angles P-C4'-P energy: -106.435 tors. eta vs tors. theta energy: -190.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2062.121891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.121891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.121891 (E_RNA) where: Base-Base interactions energy: -1343.401 where: short stacking energy: -610.266 Base-Backbone interact. energy: -2.155 local terms energy: -716.565910 where: bonds (distance) C4'-P energy: -142.438 bonds (distance) P-C4' energy: -147.812 flat angles C4'-P-C4' energy: -154.812 flat angles P-C4'-P energy: -108.076 tors. eta vs tors. theta energy: -163.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1717.445501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.445501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.445501 (E_RNA) where: Base-Base interactions energy: -1030.765 where: short stacking energy: -501.466 Base-Backbone interact. energy: -1.847 local terms energy: -684.833251 where: bonds (distance) C4'-P energy: -147.643 bonds (distance) P-C4' energy: -145.802 flat angles C4'-P-C4' energy: -166.232 flat angles P-C4'-P energy: -86.764 tors. eta vs tors. theta energy: -138.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1583.224062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.224062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.224062 (E_RNA) where: Base-Base interactions energy: -951.255 where: short stacking energy: -482.087 Base-Backbone interact. energy: -8.052 local terms energy: -623.917731 where: bonds (distance) C4'-P energy: -140.420 bonds (distance) P-C4' energy: -152.889 flat angles C4'-P-C4' energy: -144.425 flat angles P-C4'-P energy: -100.887 tors. eta vs tors. theta energy: -85.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1360.304382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.304382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.304382 (E_RNA) where: Base-Base interactions energy: -758.758 where: short stacking energy: -361.043 Base-Backbone interact. energy: 0.885 local terms energy: -602.432163 where: bonds (distance) C4'-P energy: -144.272 bonds (distance) P-C4' energy: -162.412 flat angles C4'-P-C4' energy: -148.537 flat angles P-C4'-P energy: -82.771 tors. eta vs tors. theta energy: -64.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1127.744539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.744539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.744539 (E_RNA) where: Base-Base interactions energy: -622.720 where: short stacking energy: -343.815 Base-Backbone interact. energy: -2.483 local terms energy: -502.541610 where: bonds (distance) C4'-P energy: -113.476 bonds (distance) P-C4' energy: -134.525 flat angles C4'-P-C4' energy: -128.156 flat angles P-C4'-P energy: -84.809 tors. eta vs tors. theta energy: -41.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -761.395700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.395700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.395700 (E_RNA) where: Base-Base interactions energy: -347.818 where: short stacking energy: -232.868 Base-Backbone interact. energy: 5.322 local terms energy: -418.900560 where: bonds (distance) C4'-P energy: -114.816 bonds (distance) P-C4' energy: -140.538 flat angles C4'-P-C4' energy: -109.504 flat angles P-C4'-P energy: -70.469 tors. eta vs tors. theta energy: 16.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -605.966189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.966189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.966189 (E_RNA) where: Base-Base interactions energy: -230.225 where: short stacking energy: -167.119 Base-Backbone interact. energy: -4.067 local terms energy: -371.674291 where: bonds (distance) C4'-P energy: -134.250 bonds (distance) P-C4' energy: -134.477 flat angles C4'-P-C4' energy: -85.676 flat angles P-C4'-P energy: -61.876 tors. eta vs tors. theta energy: 44.603 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: 8 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2589.806913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.806913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.806913 (E_RNA) where: Base-Base interactions energy: -1761.299 where: short stacking energy: -717.285 Base-Backbone interact. energy: -2.908 local terms energy: -825.599849 where: bonds (distance) C4'-P energy: -172.185 bonds (distance) P-C4' energy: -164.873 flat angles C4'-P-C4' energy: -170.222 flat angles P-C4'-P energy: -122.004 tors. eta vs tors. theta energy: -196.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2361.276141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.276141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.276141 (E_RNA) where: Base-Base interactions energy: -1558.955 where: short stacking energy: -670.172 Base-Backbone interact. energy: 0.952 local terms energy: -803.272770 where: bonds (distance) C4'-P energy: -170.384 bonds (distance) P-C4' energy: -165.779 flat angles C4'-P-C4' energy: -171.050 flat angles P-C4'-P energy: -112.124 tors. eta vs tors. theta energy: -183.936 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: 9 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2170.162182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.162182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.162182 (E_RNA) where: Base-Base interactions energy: -1375.237 where: short stacking energy: -670.356 Base-Backbone interact. energy: -3.632 local terms energy: -791.293714 where: bonds (distance) C4'-P energy: -153.097 bonds (distance) P-C4' energy: -164.959 flat angles C4'-P-C4' energy: -169.118 flat angles P-C4'-P energy: -124.318 tors. eta vs tors. theta energy: -179.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2039.455163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.455163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.455163 (E_RNA) where: Base-Base interactions energy: -1289.868 where: short stacking energy: -606.602 Base-Backbone interact. energy: -1.300 local terms energy: -748.286897 where: bonds (distance) C4'-P energy: -161.789 bonds (distance) P-C4' energy: -141.702 flat angles C4'-P-C4' energy: -165.398 flat angles P-C4'-P energy: -103.617 tors. eta vs tors. theta energy: -175.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1771.795583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.795583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.795583 (E_RNA) where: Base-Base interactions energy: -1087.098 where: short stacking energy: -528.652 Base-Backbone interact. energy: -3.612 local terms energy: -681.085522 where: bonds (distance) C4'-P energy: -135.298 bonds (distance) P-C4' energy: -156.308 flat angles C4'-P-C4' energy: -171.612 flat angles P-C4'-P energy: -98.663 tors. eta vs tors. theta energy: -119.205 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: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1525.849463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.849463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.849463 (E_RNA) where: Base-Base interactions energy: -931.382 where: short stacking energy: -426.398 Base-Backbone interact. energy: -0.386 local terms energy: -594.081748 where: bonds (distance) C4'-P energy: -147.798 bonds (distance) P-C4' energy: -128.955 flat angles C4'-P-C4' energy: -143.619 flat angles P-C4'-P energy: -87.383 tors. eta vs tors. theta energy: -86.327 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: 49 Temperature: 1.200000 Total energy: -1495.643907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.643907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.643907 (E_RNA) where: Base-Base interactions energy: -903.852 where: short stacking energy: -463.610 Base-Backbone interact. energy: -1.859 local terms energy: -589.933089 where: bonds (distance) C4'-P energy: -122.588 bonds (distance) P-C4' energy: -144.047 flat angles C4'-P-C4' energy: -134.670 flat angles P-C4'-P energy: -80.950 tors. eta vs tors. theta energy: -107.678 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: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1161.085730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.085730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.085730 (E_RNA) where: Base-Base interactions energy: -626.800 where: short stacking energy: -340.998 Base-Backbone interact. energy: -2.084 local terms energy: -532.201908 where: bonds (distance) C4'-P energy: -130.472 bonds (distance) P-C4' energy: -147.543 flat angles C4'-P-C4' energy: -128.316 flat angles P-C4'-P energy: -85.729 tors. eta vs tors. theta energy: -40.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -762.632537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.632537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.632537 (E_RNA) where: Base-Base interactions energy: -333.133 where: short stacking energy: -219.833 Base-Backbone interact. energy: 5.822 local terms energy: -435.321578 where: bonds (distance) C4'-P energy: -128.805 bonds (distance) P-C4' energy: -131.890 flat angles C4'-P-C4' energy: -118.655 flat angles P-C4'-P energy: -78.453 tors. eta vs tors. theta energy: 22.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -646.059205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.059205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.059205 (E_RNA) where: Base-Base interactions energy: -262.250 where: short stacking energy: -184.923 Base-Backbone interact. energy: 3.663 local terms energy: -387.472124 where: bonds (distance) C4'-P energy: -110.544 bonds (distance) P-C4' energy: -120.026 flat angles C4'-P-C4' energy: -110.357 flat angles P-C4'-P energy: -61.944 tors. eta vs tors. theta energy: 15.398 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: 8 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2579.706439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.706439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.706439 (E_RNA) where: Base-Base interactions energy: -1735.799 where: short stacking energy: -734.226 Base-Backbone interact. energy: -4.467 local terms energy: -839.440011 where: bonds (distance) C4'-P energy: -163.854 bonds (distance) P-C4' energy: -165.265 flat angles C4'-P-C4' energy: -183.839 flat angles P-C4'-P energy: -117.361 tors. eta vs tors. theta energy: -209.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2364.245230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.245230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.245230 (E_RNA) where: Base-Base interactions energy: -1569.073 where: short stacking energy: -675.282 Base-Backbone interact. energy: -2.454 local terms energy: -792.718060 where: bonds (distance) C4'-P energy: -162.647 bonds (distance) P-C4' energy: -162.235 flat angles C4'-P-C4' energy: -164.964 flat angles P-C4'-P energy: -118.476 tors. eta vs tors. theta energy: -184.397 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: 9 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2128.795136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.795136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.795136 (E_RNA) where: Base-Base interactions energy: -1413.831 where: short stacking energy: -653.354 Base-Backbone interact. energy: 4.056 local terms energy: -719.021032 where: bonds (distance) C4'-P energy: -137.202 bonds (distance) P-C4' energy: -147.980 flat angles C4'-P-C4' energy: -167.070 flat angles P-C4'-P energy: -105.197 tors. eta vs tors. theta energy: -161.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2073.766915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.766915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.766915 (E_RNA) where: Base-Base interactions energy: -1349.866 where: short stacking energy: -617.139 Base-Backbone interact. energy: -2.256 local terms energy: -721.644733 where: bonds (distance) C4'-P energy: -138.029 bonds (distance) P-C4' energy: -162.641 flat angles C4'-P-C4' energy: -162.641 flat angles P-C4'-P energy: -101.163 tors. eta vs tors. theta energy: -157.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1830.521479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.521479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.521479 (E_RNA) where: Base-Base interactions energy: -1179.493 where: short stacking energy: -542.112 Base-Backbone interact. energy: -1.290 local terms energy: -649.738186 where: bonds (distance) C4'-P energy: -133.379 bonds (distance) P-C4' energy: -146.061 flat angles C4'-P-C4' energy: -147.667 flat angles P-C4'-P energy: -103.810 tors. eta vs tors. theta energy: -118.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1618.332471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.332471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.332471 (E_RNA) where: Base-Base interactions energy: -970.230 where: short stacking energy: -487.896 Base-Backbone interact. energy: 0.106 local terms energy: -648.207864 where: bonds (distance) C4'-P energy: -150.623 bonds (distance) P-C4' energy: -149.997 flat angles C4'-P-C4' energy: -144.217 flat angles P-C4'-P energy: -87.844 tors. eta vs tors. theta energy: -115.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1423.489918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.489918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.489918 (E_RNA) where: Base-Base interactions energy: -845.580 where: short stacking energy: -402.988 Base-Backbone interact. energy: 1.950 local terms energy: -579.859637 where: bonds (distance) C4'-P energy: -132.643 bonds (distance) P-C4' energy: -153.577 flat angles C4'-P-C4' energy: -135.197 flat angles P-C4'-P energy: -88.222 tors. eta vs tors. theta energy: -70.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1142.414014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.414014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.414014 (E_RNA) where: Base-Base interactions energy: -631.505 where: short stacking energy: -332.357 Base-Backbone interact. energy: -0.954 local terms energy: -509.954919 where: bonds (distance) C4'-P energy: -137.750 bonds (distance) P-C4' energy: -137.194 flat angles C4'-P-C4' energy: -132.385 flat angles P-C4'-P energy: -71.304 tors. eta vs tors. theta energy: -31.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -772.938225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.938225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.938225 (E_RNA) where: Base-Base interactions energy: -300.090 where: short stacking energy: -210.388 Base-Backbone interact. energy: 0.724 local terms energy: -473.571937 where: bonds (distance) C4'-P energy: -125.982 bonds (distance) P-C4' energy: -150.647 flat angles C4'-P-C4' energy: -133.919 flat angles P-C4'-P energy: -61.854 tors. eta vs tors. theta energy: -1.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -617.146565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.146565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.146565 (E_RNA) where: Base-Base interactions energy: -223.115 where: short stacking energy: -182.661 Base-Backbone interact. energy: -1.272 local terms energy: -392.759658 where: bonds (distance) C4'-P energy: -113.261 bonds (distance) P-C4' energy: -133.907 flat angles C4'-P-C4' energy: -104.933 flat angles P-C4'-P energy: -60.790 tors. eta vs tors. theta energy: 20.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2567.759341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.759341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.759341 (E_RNA) where: Base-Base interactions energy: -1753.104 where: short stacking energy: -749.724 Base-Backbone interact. energy: 3.421 local terms energy: -818.076538 where: bonds (distance) C4'-P energy: -157.045 bonds (distance) P-C4' energy: -163.623 flat angles C4'-P-C4' energy: -193.908 flat angles P-C4'-P energy: -106.407 tors. eta vs tors. theta energy: -197.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2380.896662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.896662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.896662 (E_RNA) where: Base-Base interactions energy: -1589.142 where: short stacking energy: -676.732 Base-Backbone interact. energy: -0.341 local terms energy: -791.414452 where: bonds (distance) C4'-P energy: -171.190 bonds (distance) P-C4' energy: -153.101 flat angles C4'-P-C4' energy: -175.020 flat angles P-C4'-P energy: -110.813 tors. eta vs tors. theta energy: -181.289 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: 3, replica: 9 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2200.844453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.844453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.844453 (E_RNA) where: Base-Base interactions energy: -1442.676 where: short stacking energy: -662.052 Base-Backbone interact. energy: -1.990 local terms energy: -756.177691 where: bonds (distance) C4'-P energy: -152.678 bonds (distance) P-C4' energy: -155.293 flat angles C4'-P-C4' energy: -170.020 flat angles P-C4'-P energy: -97.182 tors. eta vs tors. theta energy: -181.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2066.568542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.568542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.568542 (E_RNA) where: Base-Base interactions energy: -1313.495 where: short stacking energy: -586.775 Base-Backbone interact. energy: -1.094 local terms energy: -751.980295 where: bonds (distance) C4'-P energy: -159.944 bonds (distance) P-C4' energy: -158.272 flat angles C4'-P-C4' energy: -164.515 flat angles P-C4'-P energy: -105.853 tors. eta vs tors. theta energy: -163.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1808.387564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.387564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.387564 (E_RNA) where: Base-Base interactions energy: -1152.754 where: short stacking energy: -512.106 Base-Backbone interact. energy: 2.045 local terms energy: -657.678280 where: bonds (distance) C4'-P energy: -142.549 bonds (distance) P-C4' energy: -149.479 flat angles C4'-P-C4' energy: -146.940 flat angles P-C4'-P energy: -104.462 tors. eta vs tors. theta energy: -114.248 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: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1598.045614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.045614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.045614 (E_RNA) where: Base-Base interactions energy: -970.770 where: short stacking energy: -463.400 Base-Backbone interact. energy: 5.794 local terms energy: -633.069279 where: bonds (distance) C4'-P energy: -128.277 bonds (distance) P-C4' energy: -155.920 flat angles C4'-P-C4' energy: -149.491 flat angles P-C4'-P energy: -105.155 tors. eta vs tors. theta energy: -94.226 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: 51 Temperature: 1.200000 Total energy: -1394.788387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.788387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.788387 (E_RNA) where: Base-Base interactions energy: -806.758 where: short stacking energy: -396.591 Base-Backbone interact. energy: -1.537 local terms energy: -586.493632 where: bonds (distance) C4'-P energy: -137.957 bonds (distance) P-C4' energy: -139.280 flat angles C4'-P-C4' energy: -128.406 flat angles P-C4'-P energy: -99.813 tors. eta vs tors. theta energy: -81.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1073.762757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.762757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.762757 (E_RNA) where: Base-Base interactions energy: -576.516 where: short stacking energy: -325.603 Base-Backbone interact. energy: -0.048 local terms energy: -497.199152 where: bonds (distance) C4'-P energy: -132.788 bonds (distance) P-C4' energy: -145.278 flat angles C4'-P-C4' energy: -104.987 flat angles P-C4'-P energy: -66.823 tors. eta vs tors. theta energy: -47.323 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: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -761.712457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.712457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.712457 (E_RNA) where: Base-Base interactions energy: -321.293 where: short stacking energy: -216.421 Base-Backbone interact. energy: -1.385 local terms energy: -439.034519 where: bonds (distance) C4'-P energy: -132.034 bonds (distance) P-C4' energy: -144.961 flat angles C4'-P-C4' energy: -120.446 flat angles P-C4'-P energy: -66.793 tors. eta vs tors. theta energy: 25.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -647.131722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.131722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.131722 (E_RNA) where: Base-Base interactions energy: -215.920 where: short stacking energy: -155.094 Base-Backbone interact. energy: -0.653 local terms energy: -430.558155 where: bonds (distance) C4'-P energy: -125.735 bonds (distance) P-C4' energy: -150.973 flat angles C4'-P-C4' energy: -128.658 flat angles P-C4'-P energy: -54.346 tors. eta vs tors. theta energy: 29.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2604.461300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.461300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.461300 (E_RNA) where: Base-Base interactions energy: -1784.398 where: short stacking energy: -750.548 Base-Backbone interact. energy: 1.445 local terms energy: -821.507959 where: bonds (distance) C4'-P energy: -150.234 bonds (distance) P-C4' energy: -167.803 flat angles C4'-P-C4' energy: -181.236 flat angles P-C4'-P energy: -112.520 tors. eta vs tors. theta energy: -209.715 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: 2, replica: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2384.325476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.325476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.325476 (E_RNA) where: Base-Base interactions energy: -1606.582 where: short stacking energy: -676.390 Base-Backbone interact. energy: 1.046 local terms energy: -778.789715 where: bonds (distance) C4'-P energy: -148.451 bonds (distance) P-C4' energy: -171.609 flat angles C4'-P-C4' energy: -177.735 flat angles P-C4'-P energy: -100.074 tors. eta vs tors. theta energy: -180.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2233.089880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.089880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.089880 (E_RNA) where: Base-Base interactions energy: -1450.941 where: short stacking energy: -646.275 Base-Backbone interact. energy: -3.425 local terms energy: -778.724362 where: bonds (distance) C4'-P energy: -151.267 bonds (distance) P-C4' energy: -159.693 flat angles C4'-P-C4' energy: -172.232 flat angles P-C4'-P energy: -111.464 tors. eta vs tors. theta energy: -184.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2028.194406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.194406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.194406 (E_RNA) where: Base-Base interactions energy: -1282.992 where: short stacking energy: -615.989 Base-Backbone interact. energy: 1.605 local terms energy: -746.806975 where: bonds (distance) C4'-P energy: -149.567 bonds (distance) P-C4' energy: -159.886 flat angles C4'-P-C4' energy: -166.294 flat angles P-C4'-P energy: -106.250 tors. eta vs tors. theta energy: -164.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1858.759278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.759278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.759278 (E_RNA) where: Base-Base interactions energy: -1169.401 where: short stacking energy: -587.465 Base-Backbone interact. energy: 6.755 local terms energy: -696.113258 where: bonds (distance) C4'-P energy: -126.303 bonds (distance) P-C4' energy: -156.695 flat angles C4'-P-C4' energy: -158.767 flat angles P-C4'-P energy: -104.807 tors. eta vs tors. theta energy: -149.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1589.497292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.497292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.497292 (E_RNA) where: Base-Base interactions energy: -963.218 where: short stacking energy: -475.574 Base-Backbone interact. energy: -0.855 local terms energy: -625.424837 where: bonds (distance) C4'-P energy: -145.411 bonds (distance) P-C4' energy: -156.156 flat angles C4'-P-C4' energy: -141.642 flat angles P-C4'-P energy: -85.507 tors. eta vs tors. theta energy: -96.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1347.045966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.045966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.045966 (E_RNA) where: Base-Base interactions energy: -777.156 where: short stacking energy: -400.316 Base-Backbone interact. energy: -0.407 local terms energy: -569.483515 where: bonds (distance) C4'-P energy: -143.180 bonds (distance) P-C4' energy: -134.896 flat angles C4'-P-C4' energy: -142.880 flat angles P-C4'-P energy: -82.866 tors. eta vs tors. theta energy: -65.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1123.753830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.753830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.753830 (E_RNA) where: Base-Base interactions energy: -582.364 where: short stacking energy: -319.291 Base-Backbone interact. energy: 0.367 local terms energy: -541.757128 where: bonds (distance) C4'-P energy: -137.813 bonds (distance) P-C4' energy: -157.977 flat angles C4'-P-C4' energy: -133.757 flat angles P-C4'-P energy: -88.822 tors. eta vs tors. theta energy: -23.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -733.354102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.354102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.354102 (E_RNA) where: Base-Base interactions energy: -309.155 where: short stacking energy: -237.094 Base-Backbone interact. energy: 1.928 local terms energy: -426.126792 where: bonds (distance) C4'-P energy: -139.615 bonds (distance) P-C4' energy: -122.248 flat angles C4'-P-C4' energy: -112.926 flat angles P-C4'-P energy: -65.095 tors. eta vs tors. theta energy: 13.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -613.283957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.283957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.283957 (E_RNA) where: Base-Base interactions energy: -221.235 where: short stacking energy: -165.355 Base-Backbone interact. energy: 1.399 local terms energy: -393.448107 where: bonds (distance) C4'-P energy: -129.089 bonds (distance) P-C4' energy: -137.289 flat angles C4'-P-C4' energy: -127.397 flat angles P-C4'-P energy: -34.228 tors. eta vs tors. theta energy: 34.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2635.907480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.907480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.907480 (E_RNA) where: Base-Base interactions energy: -1791.609 where: short stacking energy: -748.512 Base-Backbone interact. energy: -4.215 local terms energy: -840.084106 where: bonds (distance) C4'-P energy: -167.657 bonds (distance) P-C4' energy: -166.143 flat angles C4'-P-C4' energy: -185.868 flat angles P-C4'-P energy: -123.657 tors. eta vs tors. theta energy: -196.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2326.766552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.766552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.766552 (E_RNA) where: Base-Base interactions energy: -1543.474 where: short stacking energy: -652.210 Base-Backbone interact. energy: -5.350 local terms energy: -777.943254 where: bonds (distance) C4'-P energy: -157.774 bonds (distance) P-C4' energy: -156.387 flat angles C4'-P-C4' energy: -176.868 flat angles P-C4'-P energy: -116.387 tors. eta vs tors. theta energy: -170.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2235.762179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.762179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.762179 (E_RNA) where: Base-Base interactions energy: -1466.825 where: short stacking energy: -669.530 Base-Backbone interact. energy: -5.039 local terms energy: -763.898427 where: bonds (distance) C4'-P energy: -147.793 bonds (distance) P-C4' energy: -165.371 flat angles C4'-P-C4' energy: -173.491 flat angles P-C4'-P energy: -102.376 tors. eta vs tors. theta energy: -174.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2025.869206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.869206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.869206 (E_RNA) where: Base-Base interactions energy: -1293.640 where: short stacking energy: -571.253 Base-Backbone interact. energy: -0.416 local terms energy: -731.813010 where: bonds (distance) C4'-P energy: -146.345 bonds (distance) P-C4' energy: -154.235 flat angles C4'-P-C4' energy: -168.807 flat angles P-C4'-P energy: -105.736 tors. eta vs tors. theta energy: -156.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1842.393112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.393112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.393112 (E_RNA) where: Base-Base interactions energy: -1172.018 where: short stacking energy: -513.386 Base-Backbone interact. energy: -1.099 local terms energy: -669.276615 where: bonds (distance) C4'-P energy: -123.885 bonds (distance) P-C4' energy: -165.242 flat angles C4'-P-C4' energy: -150.907 flat angles P-C4'-P energy: -101.554 tors. eta vs tors. theta energy: -127.689 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: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1619.220237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.220237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.220237 (E_RNA) where: Base-Base interactions energy: -1003.080 where: short stacking energy: -456.772 Base-Backbone interact. energy: -2.157 local terms energy: -613.983416 where: bonds (distance) C4'-P energy: -145.512 bonds (distance) P-C4' energy: -159.942 flat angles C4'-P-C4' energy: -135.051 flat angles P-C4'-P energy: -84.890 tors. eta vs tors. theta energy: -88.589 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: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1342.489663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.489663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.489663 (E_RNA) where: Base-Base interactions energy: -757.249 where: short stacking energy: -395.992 Base-Backbone interact. energy: 0.631 local terms energy: -585.871291 where: bonds (distance) C4'-P energy: -139.822 bonds (distance) P-C4' energy: -150.644 flat angles C4'-P-C4' energy: -144.707 flat angles P-C4'-P energy: -85.883 tors. eta vs tors. theta energy: -64.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1148.563389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.563389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.563389 (E_RNA) where: Base-Base interactions energy: -644.366 where: short stacking energy: -332.118 Base-Backbone interact. energy: -2.537 local terms energy: -501.660745 where: bonds (distance) C4'-P energy: -137.321 bonds (distance) P-C4' energy: -149.508 flat angles C4'-P-C4' energy: -100.002 flat angles P-C4'-P energy: -83.619 tors. eta vs tors. theta energy: -31.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -789.037141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.037141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.037141 (E_RNA) where: Base-Base interactions energy: -360.730 where: short stacking energy: -251.222 Base-Backbone interact. energy: 2.378 local terms energy: -430.685134 where: bonds (distance) C4'-P energy: -121.991 bonds (distance) P-C4' energy: -123.811 flat angles C4'-P-C4' energy: -117.489 flat angles P-C4'-P energy: -70.697 tors. eta vs tors. theta energy: 3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -617.479298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.479298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.479298 (E_RNA) where: Base-Base interactions energy: -212.127 where: short stacking energy: -139.977 Base-Backbone interact. energy: -1.391 local terms energy: -403.960625 where: bonds (distance) C4'-P energy: -141.115 bonds (distance) P-C4' energy: -120.868 flat angles C4'-P-C4' energy: -114.464 flat angles P-C4'-P energy: -71.232 tors. eta vs tors. theta energy: 43.719 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: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2636.027019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.027019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.027019 (E_RNA) where: Base-Base interactions energy: -1793.532 where: short stacking energy: -752.386 Base-Backbone interact. energy: -5.870 local terms energy: -836.625289 where: bonds (distance) C4'-P energy: -167.626 bonds (distance) P-C4' energy: -177.250 flat angles C4'-P-C4' energy: -176.618 flat angles P-C4'-P energy: -113.190 tors. eta vs tors. theta energy: -201.941 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: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2379.254886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.254886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.254886 (E_RNA) where: Base-Base interactions energy: -1583.134 where: short stacking energy: -675.196 Base-Backbone interact. energy: 0.755 local terms energy: -796.876350 where: bonds (distance) C4'-P energy: -164.743 bonds (distance) P-C4' energy: -171.599 flat angles C4'-P-C4' energy: -161.334 flat angles P-C4'-P energy: -118.261 tors. eta vs tors. theta energy: -180.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2271.318030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.318030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.318030 (E_RNA) where: Base-Base interactions energy: -1485.394 where: short stacking energy: -678.224 Base-Backbone interact. energy: 0.434 local terms energy: -786.357503 where: bonds (distance) C4'-P energy: -149.773 bonds (distance) P-C4' energy: -152.431 flat angles C4'-P-C4' energy: -169.995 flat angles P-C4'-P energy: -128.080 tors. eta vs tors. theta energy: -186.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2067.018625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.018625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.018625 (E_RNA) where: Base-Base interactions energy: -1345.156 where: short stacking energy: -613.842 Base-Backbone interact. energy: 4.947 local terms energy: -726.808709 where: bonds (distance) C4'-P energy: -152.559 bonds (distance) P-C4' energy: -153.436 flat angles C4'-P-C4' energy: -156.045 flat angles P-C4'-P energy: -97.043 tors. eta vs tors. theta energy: -167.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1886.239427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.239427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.239427 (E_RNA) where: Base-Base interactions energy: -1214.513 where: short stacking energy: -537.134 Base-Backbone interact. energy: -2.840 local terms energy: -668.886189 where: bonds (distance) C4'-P energy: -130.316 bonds (distance) P-C4' energy: -148.513 flat angles C4'-P-C4' energy: -151.451 flat angles P-C4'-P energy: -104.660 tors. eta vs tors. theta energy: -133.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1596.726538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.726538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.726538 (E_RNA) where: Base-Base interactions energy: -990.832 where: short stacking energy: -455.286 Base-Backbone interact. energy: 0.395 local terms energy: -606.290266 where: bonds (distance) C4'-P energy: -127.047 bonds (distance) P-C4' energy: -158.625 flat angles C4'-P-C4' energy: -139.636 flat angles P-C4'-P energy: -82.450 tors. eta vs tors. theta energy: -98.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1436.984621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.984621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.984621 (E_RNA) where: Base-Base interactions energy: -889.710 where: short stacking energy: -416.436 Base-Backbone interact. energy: -1.937 local terms energy: -545.338052 where: bonds (distance) C4'-P energy: -123.149 bonds (distance) P-C4' energy: -144.132 flat angles C4'-P-C4' energy: -123.424 flat angles P-C4'-P energy: -82.016 tors. eta vs tors. theta energy: -72.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1144.144421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.144421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.144421 (E_RNA) where: Base-Base interactions energy: -628.578 where: short stacking energy: -318.879 Base-Backbone interact. energy: -2.498 local terms energy: -513.067932 where: bonds (distance) C4'-P energy: -125.177 bonds (distance) P-C4' energy: -126.800 flat angles C4'-P-C4' energy: -126.933 flat angles P-C4'-P energy: -75.151 tors. eta vs tors. theta energy: -59.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -697.867541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.867541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.867541 (E_RNA) where: Base-Base interactions energy: -253.282 where: short stacking energy: -208.721 Base-Backbone interact. energy: -0.752 local terms energy: -443.833082 where: bonds (distance) C4'-P energy: -134.705 bonds (distance) P-C4' energy: -146.781 flat angles C4'-P-C4' energy: -101.408 flat angles P-C4'-P energy: -91.095 tors. eta vs tors. theta energy: 30.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -715.088967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.088967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.088967 (E_RNA) where: Base-Base interactions energy: -270.122 where: short stacking energy: -172.489 Base-Backbone interact. energy: 0.784 local terms energy: -445.751024 where: bonds (distance) C4'-P energy: -148.339 bonds (distance) P-C4' energy: -131.845 flat angles C4'-P-C4' energy: -120.783 flat angles P-C4'-P energy: -69.136 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: 1, replica: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2634.409807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.409807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.409807 (E_RNA) where: Base-Base interactions energy: -1814.906 where: short stacking energy: -737.086 Base-Backbone interact. energy: -4.719 local terms energy: -814.785028 where: bonds (distance) C4'-P energy: -169.804 bonds (distance) P-C4' energy: -162.046 flat angles C4'-P-C4' energy: -176.553 flat angles P-C4'-P energy: -106.050 tors. eta vs tors. theta energy: -200.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2356.956042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.956042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.956042 (E_RNA) where: Base-Base interactions energy: -1589.642 where: short stacking energy: -692.055 Base-Backbone interact. energy: -4.053 local terms energy: -763.260873 where: bonds (distance) C4'-P energy: -147.429 bonds (distance) P-C4' energy: -156.572 flat angles C4'-P-C4' energy: -175.068 flat angles P-C4'-P energy: -105.982 tors. eta vs tors. theta energy: -178.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2270.786707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.786707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.786707 (E_RNA) where: Base-Base interactions energy: -1476.481 where: short stacking energy: -667.926 Base-Backbone interact. energy: -3.700 local terms energy: -790.605204 where: bonds (distance) C4'-P energy: -160.481 bonds (distance) P-C4' energy: -148.073 flat angles C4'-P-C4' energy: -184.714 flat angles P-C4'-P energy: -104.759 tors. eta vs tors. theta energy: -192.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2110.968652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.968652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.968652 (E_RNA) where: Base-Base interactions energy: -1361.851 where: short stacking energy: -626.732 Base-Backbone interact. energy: 1.958 local terms energy: -751.075015 where: bonds (distance) C4'-P energy: -168.391 bonds (distance) P-C4' energy: -137.199 flat angles C4'-P-C4' energy: -174.533 flat angles P-C4'-P energy: -93.457 tors. eta vs tors. theta energy: -177.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1835.169501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.169501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.169501 (E_RNA) where: Base-Base interactions energy: -1147.697 where: short stacking energy: -539.405 Base-Backbone interact. energy: -1.411 local terms energy: -686.060896 where: bonds (distance) C4'-P energy: -156.551 bonds (distance) P-C4' energy: -156.311 flat angles C4'-P-C4' energy: -146.057 flat angles P-C4'-P energy: -102.872 tors. eta vs tors. theta energy: -124.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1599.823687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.823687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.823687 (E_RNA) where: Base-Base interactions energy: -973.166 where: short stacking energy: -454.318 Base-Backbone interact. energy: -1.215 local terms energy: -625.442535 where: bonds (distance) C4'-P energy: -147.673 bonds (distance) P-C4' energy: -150.756 flat angles C4'-P-C4' energy: -154.789 flat angles P-C4'-P energy: -78.550 tors. eta vs tors. theta energy: -93.675 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: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1444.387656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.387656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.387656 (E_RNA) where: Base-Base interactions energy: -859.228 where: short stacking energy: -410.623 Base-Backbone interact. energy: 1.708 local terms energy: -586.867306 where: bonds (distance) C4'-P energy: -143.295 bonds (distance) P-C4' energy: -156.061 flat angles C4'-P-C4' energy: -148.474 flat angles P-C4'-P energy: -78.924 tors. eta vs tors. theta energy: -60.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1144.747114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.747114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.747114 (E_RNA) where: Base-Base interactions energy: -622.543 where: short stacking energy: -338.132 Base-Backbone interact. energy: 1.952 local terms energy: -524.155240 where: bonds (distance) C4'-P energy: -137.872 bonds (distance) P-C4' energy: -151.521 flat angles C4'-P-C4' energy: -130.695 flat angles P-C4'-P energy: -70.459 tors. eta vs tors. theta energy: -33.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -670.274839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.274839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.274839 (E_RNA) where: Base-Base interactions energy: -240.861 where: short stacking energy: -178.160 Base-Backbone interact. energy: 4.654 local terms energy: -434.068341 where: bonds (distance) C4'-P energy: -130.857 bonds (distance) P-C4' energy: -156.065 flat angles C4'-P-C4' energy: -123.282 flat angles P-C4'-P energy: -64.363 tors. eta vs tors. theta energy: 40.499 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: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -681.711399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.711399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.711399 (E_RNA) where: Base-Base interactions energy: -280.197 where: short stacking energy: -186.404 Base-Backbone interact. energy: 0.673 local terms energy: -402.186906 where: bonds (distance) C4'-P energy: -124.932 bonds (distance) P-C4' energy: -140.358 flat angles C4'-P-C4' energy: -107.654 flat angles P-C4'-P energy: -57.242 tors. eta vs tors. theta energy: 28.000 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: 8 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2572.287759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.287759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.287759 (E_RNA) where: Base-Base interactions energy: -1746.633 where: short stacking energy: -750.897 Base-Backbone interact. energy: -2.158 local terms energy: -823.496770 where: bonds (distance) C4'-P energy: -163.140 bonds (distance) P-C4' energy: -167.093 flat angles C4'-P-C4' energy: -183.823 flat angles P-C4'-P energy: -95.988 tors. eta vs tors. theta energy: -213.452 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: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2390.584984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.584984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.584984 (E_RNA) where: Base-Base interactions energy: -1592.301 where: short stacking energy: -731.957 Base-Backbone interact. energy: 5.918 local terms energy: -804.202579 where: bonds (distance) C4'-P energy: -160.008 bonds (distance) P-C4' energy: -164.801 flat angles C4'-P-C4' energy: -179.688 flat angles P-C4'-P energy: -114.404 tors. eta vs tors. theta energy: -185.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2320.966137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.966137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.966137 (E_RNA) where: Base-Base interactions energy: -1542.922 where: short stacking energy: -713.926 Base-Backbone interact. energy: -0.839 local terms energy: -777.205261 where: bonds (distance) C4'-P energy: -152.077 bonds (distance) P-C4' energy: -146.669 flat angles C4'-P-C4' energy: -177.989 flat angles P-C4'-P energy: -108.492 tors. eta vs tors. theta energy: -191.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2155.082727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.082727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.082727 (E_RNA) where: Base-Base interactions energy: -1421.236 where: short stacking energy: -654.070 Base-Backbone interact. energy: -1.653 local terms energy: -732.193905 where: bonds (distance) C4'-P energy: -146.278 bonds (distance) P-C4' energy: -149.708 flat angles C4'-P-C4' energy: -153.178 flat angles P-C4'-P energy: -104.426 tors. eta vs tors. theta energy: -178.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1823.201140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.201140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.201140 (E_RNA) where: Base-Base interactions energy: -1154.164 where: short stacking energy: -504.951 Base-Backbone interact. energy: 0.676 local terms energy: -669.712232 where: bonds (distance) C4'-P energy: -142.324 bonds (distance) P-C4' energy: -158.240 flat angles C4'-P-C4' energy: -160.993 flat angles P-C4'-P energy: -98.682 tors. eta vs tors. theta energy: -109.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1537.871361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.871361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.871361 (E_RNA) where: Base-Base interactions energy: -908.468 where: short stacking energy: -455.359 Base-Backbone interact. energy: -1.063 local terms energy: -628.340123 where: bonds (distance) C4'-P energy: -134.672 bonds (distance) P-C4' energy: -173.316 flat angles C4'-P-C4' energy: -162.082 flat angles P-C4'-P energy: -90.089 tors. eta vs tors. theta energy: -68.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1440.311272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.311272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.311272 (E_RNA) where: Base-Base interactions energy: -910.127 where: short stacking energy: -430.077 Base-Backbone interact. energy: 2.480 local terms energy: -532.663788 where: bonds (distance) C4'-P energy: -118.661 bonds (distance) P-C4' energy: -115.704 flat angles C4'-P-C4' energy: -155.055 flat angles P-C4'-P energy: -84.651 tors. eta vs tors. theta energy: -58.593 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: 8, replica: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1148.867887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.867887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.867887 (E_RNA) where: Base-Base interactions energy: -618.256 where: short stacking energy: -342.823 Base-Backbone interact. energy: 1.215 local terms energy: -531.826780 where: bonds (distance) C4'-P energy: -137.310 bonds (distance) P-C4' energy: -134.350 flat angles C4'-P-C4' energy: -143.139 flat angles P-C4'-P energy: -73.325 tors. eta vs tors. theta energy: -43.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -787.224900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.224900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.224900 (E_RNA) where: Base-Base interactions energy: -344.153 where: short stacking energy: -232.532 Base-Backbone interact. energy: 0.832 local terms energy: -443.904459 where: bonds (distance) C4'-P energy: -137.220 bonds (distance) P-C4' energy: -156.993 flat angles C4'-P-C4' energy: -108.186 flat angles P-C4'-P energy: -69.771 tors. eta vs tors. theta energy: 28.266 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: 1 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -680.853917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.853917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.853917 (E_RNA) where: Base-Base interactions energy: -274.960 where: short stacking energy: -199.827 Base-Backbone interact. energy: 0.424 local terms energy: -406.318144 where: bonds (distance) C4'-P energy: -125.212 bonds (distance) P-C4' energy: -128.183 flat angles C4'-P-C4' energy: -116.487 flat angles P-C4'-P energy: -45.334 tors. eta vs tors. theta energy: 8.898 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: 1, replica: 8 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2594.514621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.514621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.514621 (E_RNA) where: Base-Base interactions energy: -1772.497 where: short stacking energy: -743.967 Base-Backbone interact. energy: -5.414 local terms energy: -816.603716 where: bonds (distance) C4'-P energy: -158.631 bonds (distance) P-C4' energy: -162.042 flat angles C4'-P-C4' energy: -175.183 flat angles P-C4'-P energy: -108.885 tors. eta vs tors. theta energy: -211.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2350.354706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.354706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.354706 (E_RNA) where: Base-Base interactions energy: -1603.458 where: short stacking energy: -679.793 Base-Backbone interact. energy: -0.740 local terms energy: -746.156219 where: bonds (distance) C4'-P energy: -143.669 bonds (distance) P-C4' energy: -145.452 flat angles C4'-P-C4' energy: -176.897 flat angles P-C4'-P energy: -116.175 tors. eta vs tors. theta energy: -163.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2271.546463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.546463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.546463 (E_RNA) where: Base-Base interactions energy: -1489.812 where: short stacking energy: -728.750 Base-Backbone interact. energy: -1.554 local terms energy: -780.180155 where: bonds (distance) C4'-P energy: -149.358 bonds (distance) P-C4' energy: -148.044 flat angles C4'-P-C4' energy: -187.174 flat angles P-C4'-P energy: -104.324 tors. eta vs tors. theta energy: -191.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2140.447875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.447875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.447875 (E_RNA) where: Base-Base interactions energy: -1383.004 where: short stacking energy: -647.542 Base-Backbone interact. energy: 1.721 local terms energy: -759.165629 where: bonds (distance) C4'-P energy: -139.567 bonds (distance) P-C4' energy: -162.430 flat angles C4'-P-C4' energy: -172.517 flat angles P-C4'-P energy: -109.082 tors. eta vs tors. theta energy: -175.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1851.841186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.841186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.841186 (E_RNA) where: Base-Base interactions energy: -1163.492 where: short stacking energy: -526.117 Base-Backbone interact. energy: -4.202 local terms energy: -684.146915 where: bonds (distance) C4'-P energy: -142.588 bonds (distance) P-C4' energy: -155.553 flat angles C4'-P-C4' energy: -146.024 flat angles P-C4'-P energy: -113.807 tors. eta vs tors. theta energy: -126.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1625.426156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.426156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.426156 (E_RNA) where: Base-Base interactions energy: -1011.249 where: short stacking energy: -479.381 Base-Backbone interact. energy: -0.809 local terms energy: -613.368405 where: bonds (distance) C4'-P energy: -129.243 bonds (distance) P-C4' energy: -145.546 flat angles C4'-P-C4' energy: -132.235 flat angles P-C4'-P energy: -100.922 tors. eta vs tors. theta energy: -105.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1515.840116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.840116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.840116 (E_RNA) where: Base-Base interactions energy: -922.687 where: short stacking energy: -444.028 Base-Backbone interact. energy: -3.577 local terms energy: -589.576546 where: bonds (distance) C4'-P energy: -134.460 bonds (distance) P-C4' energy: -138.305 flat angles C4'-P-C4' energy: -151.426 flat angles P-C4'-P energy: -89.604 tors. eta vs tors. theta energy: -75.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1158.609504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.609504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.609504 (E_RNA) where: Base-Base interactions energy: -596.514 where: short stacking energy: -311.206 Base-Backbone interact. energy: -0.096 local terms energy: -561.998728 where: bonds (distance) C4'-P energy: -132.756 bonds (distance) P-C4' energy: -163.223 flat angles C4'-P-C4' energy: -133.907 flat angles P-C4'-P energy: -87.195 tors. eta vs tors. theta energy: -44.917 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: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -827.339941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.339941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.339941 (E_RNA) where: Base-Base interactions energy: -403.316 where: short stacking energy: -237.942 Base-Backbone interact. energy: -0.061 local terms energy: -423.962346 where: bonds (distance) C4'-P energy: -130.822 bonds (distance) P-C4' energy: -123.422 flat angles C4'-P-C4' energy: -122.265 flat angles P-C4'-P energy: -65.420 tors. eta vs tors. theta energy: 17.967 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: 10, replica: 1 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -699.724612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.724612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.724612 (E_RNA) where: Base-Base interactions energy: -281.452 where: short stacking energy: -196.064 Base-Backbone interact. energy: 0.567 local terms energy: -418.839476 where: bonds (distance) C4'-P energy: -125.499 bonds (distance) P-C4' energy: -142.791 flat angles C4'-P-C4' energy: -105.545 flat angles P-C4'-P energy: -69.775 tors. eta vs tors. theta energy: 24.770 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: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2662.644530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.644530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.644530 (E_RNA) where: Base-Base interactions energy: -1802.350 where: short stacking energy: -755.879 Base-Backbone interact. energy: -2.473 local terms energy: -857.822147 where: bonds (distance) C4'-P energy: -170.632 bonds (distance) P-C4' energy: -165.702 flat angles C4'-P-C4' energy: -187.998 flat angles P-C4'-P energy: -112.898 tors. eta vs tors. theta energy: -220.591 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: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2347.499830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.499830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.499830 (E_RNA) where: Base-Base interactions energy: -1596.936 where: short stacking energy: -684.820 Base-Backbone interact. energy: -4.034 local terms energy: -746.529497 where: bonds (distance) C4'-P energy: -156.770 bonds (distance) P-C4' energy: -153.327 flat angles C4'-P-C4' energy: -175.657 flat angles P-C4'-P energy: -94.968 tors. eta vs tors. theta energy: -165.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2334.833433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.833433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.833433 (E_RNA) where: Base-Base interactions energy: -1544.035 where: short stacking energy: -685.073 Base-Backbone interact. energy: -0.575 local terms energy: -790.223525 where: bonds (distance) C4'-P energy: -160.074 bonds (distance) P-C4' energy: -170.242 flat angles C4'-P-C4' energy: -169.870 flat angles P-C4'-P energy: -103.774 tors. eta vs tors. theta energy: -186.263 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: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2116.805447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.805447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.805447 (E_RNA) where: Base-Base interactions energy: -1383.295 where: short stacking energy: -604.483 Base-Backbone interact. energy: 0.408 local terms energy: -733.918585 where: bonds (distance) C4'-P energy: -139.315 bonds (distance) P-C4' energy: -158.592 flat angles C4'-P-C4' energy: -164.572 flat angles P-C4'-P energy: -101.784 tors. eta vs tors. theta energy: -169.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1911.528917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.528917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.528917 (E_RNA) where: Base-Base interactions energy: -1226.425 where: short stacking energy: -545.083 Base-Backbone interact. energy: -3.021 local terms energy: -682.083545 where: bonds (distance) C4'-P energy: -140.345 bonds (distance) P-C4' energy: -157.385 flat angles C4'-P-C4' energy: -153.223 flat angles P-C4'-P energy: -95.093 tors. eta vs tors. theta energy: -136.039 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: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1706.376758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.376758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.376758 (E_RNA) where: Base-Base interactions energy: -1031.418 where: short stacking energy: -503.348 Base-Backbone interact. energy: -1.733 local terms energy: -673.226273 where: bonds (distance) C4'-P energy: -137.331 bonds (distance) P-C4' energy: -168.891 flat angles C4'-P-C4' energy: -150.099 flat angles P-C4'-P energy: -81.056 tors. eta vs tors. theta energy: -135.850 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: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1524.333736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.333736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.333736 (E_RNA) where: Base-Base interactions energy: -952.051 where: short stacking energy: -431.709 Base-Backbone interact. energy: -2.555 local terms energy: -569.728330 where: bonds (distance) C4'-P energy: -127.621 bonds (distance) P-C4' energy: -129.080 flat angles C4'-P-C4' energy: -150.789 flat angles P-C4'-P energy: -85.593 tors. eta vs tors. theta energy: -76.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1062.036671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.036671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.036671 (E_RNA) where: Base-Base interactions energy: -557.138 where: short stacking energy: -280.027 Base-Backbone interact. energy: 2.450 local terms energy: -507.348203 where: bonds (distance) C4'-P energy: -131.865 bonds (distance) P-C4' energy: -151.236 flat angles C4'-P-C4' energy: -118.985 flat angles P-C4'-P energy: -74.035 tors. eta vs tors. theta energy: -31.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -856.722261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.722261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.722261 (E_RNA) where: Base-Base interactions energy: -373.495 where: short stacking energy: -229.841 Base-Backbone interact. energy: -1.429 local terms energy: -481.798433 where: bonds (distance) C4'-P energy: -137.955 bonds (distance) P-C4' energy: -149.350 flat angles C4'-P-C4' energy: -128.021 flat angles P-C4'-P energy: -71.971 tors. eta vs tors. theta energy: 5.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -669.066244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.066244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.066244 (E_RNA) where: Base-Base interactions energy: -265.438 where: short stacking energy: -206.761 Base-Backbone interact. energy: 6.759 local terms energy: -410.386440 where: bonds (distance) C4'-P energy: -137.859 bonds (distance) P-C4' energy: -134.653 flat angles C4'-P-C4' energy: -111.656 flat angles P-C4'-P energy: -60.409 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: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2630.496659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.496659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.496659 (E_RNA) where: Base-Base interactions energy: -1777.507 where: short stacking energy: -785.415 Base-Backbone interact. energy: -2.961 local terms energy: -850.028762 where: bonds (distance) C4'-P energy: -169.794 bonds (distance) P-C4' energy: -163.961 flat angles C4'-P-C4' energy: -184.923 flat angles P-C4'-P energy: -116.510 tors. eta vs tors. theta energy: -214.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2397.412177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.412177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.412177 (E_RNA) where: Base-Base interactions energy: -1621.516 where: short stacking energy: -670.530 Base-Backbone interact. energy: -2.402 local terms energy: -773.494759 where: bonds (distance) C4'-P energy: -155.177 bonds (distance) P-C4' energy: -167.426 flat angles C4'-P-C4' energy: -179.404 flat angles P-C4'-P energy: -107.160 tors. eta vs tors. theta energy: -164.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2320.242457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.242457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.242457 (E_RNA) where: Base-Base interactions energy: -1516.134 where: short stacking energy: -690.376 Base-Backbone interact. energy: -2.319 local terms energy: -801.789242 where: bonds (distance) C4'-P energy: -166.838 bonds (distance) P-C4' energy: -157.501 flat angles C4'-P-C4' energy: -182.962 flat angles P-C4'-P energy: -106.494 tors. eta vs tors. theta energy: -187.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2104.953291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.953291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.953291 (E_RNA) where: Base-Base interactions energy: -1358.355 where: short stacking energy: -623.935 Base-Backbone interact. energy: -1.954 local terms energy: -744.644551 where: bonds (distance) C4'-P energy: -149.503 bonds (distance) P-C4' energy: -168.865 flat angles C4'-P-C4' energy: -162.364 flat angles P-C4'-P energy: -98.370 tors. eta vs tors. theta energy: -165.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1920.197614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.197614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.197614 (E_RNA) where: Base-Base interactions energy: -1204.940 where: short stacking energy: -529.704 Base-Backbone interact. energy: -1.669 local terms energy: -713.588565 where: bonds (distance) C4'-P energy: -143.806 bonds (distance) P-C4' energy: -164.593 flat angles C4'-P-C4' energy: -169.783 flat angles P-C4'-P energy: -105.838 tors. eta vs tors. theta energy: -129.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1632.661260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.661260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.661260 (E_RNA) where: Base-Base interactions energy: -1024.342 where: short stacking energy: -509.516 Base-Backbone interact. energy: -0.303 local terms energy: -608.016584 where: bonds (distance) C4'-P energy: -132.615 bonds (distance) P-C4' energy: -158.291 flat angles C4'-P-C4' energy: -139.427 flat angles P-C4'-P energy: -69.308 tors. eta vs tors. theta energy: -108.375 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: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1531.302693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.302693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.302693 (E_RNA) where: Base-Base interactions energy: -924.681 where: short stacking energy: -448.280 Base-Backbone interact. energy: -0.736 local terms energy: -605.886002 where: bonds (distance) C4'-P energy: -140.612 bonds (distance) P-C4' energy: -154.193 flat angles C4'-P-C4' energy: -145.363 flat angles P-C4'-P energy: -97.051 tors. eta vs tors. theta energy: -68.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1163.942262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.942262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.942262 (E_RNA) where: Base-Base interactions energy: -659.631 where: short stacking energy: -364.377 Base-Backbone interact. energy: 0.792 local terms energy: -505.104064 where: bonds (distance) C4'-P energy: -114.335 bonds (distance) P-C4' energy: -135.935 flat angles C4'-P-C4' energy: -117.436 flat angles P-C4'-P energy: -82.589 tors. eta vs tors. theta energy: -54.809 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: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -781.376895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.376895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.376895 (E_RNA) where: Base-Base interactions energy: -319.080 where: short stacking energy: -218.664 Base-Backbone interact. energy: -0.726 local terms energy: -461.571361 where: bonds (distance) C4'-P energy: -131.841 bonds (distance) P-C4' energy: -147.416 flat angles C4'-P-C4' energy: -102.336 flat angles P-C4'-P energy: -74.291 tors. eta vs tors. theta energy: -5.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -687.999427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.999427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.999427 (E_RNA) where: Base-Base interactions energy: -296.119 where: short stacking energy: -191.318 Base-Backbone interact. energy: 3.867 local terms energy: -395.747540 where: bonds (distance) C4'-P energy: -112.371 bonds (distance) P-C4' energy: -154.747 flat angles C4'-P-C4' energy: -104.663 flat angles P-C4'-P energy: -53.240 tors. eta vs tors. theta energy: 29.274 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: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2633.243227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.243227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.243227 (E_RNA) where: Base-Base interactions energy: -1778.118 where: short stacking energy: -726.538 Base-Backbone interact. energy: -2.470 local terms energy: -852.656188 where: bonds (distance) C4'-P energy: -167.732 bonds (distance) P-C4' energy: -171.110 flat angles C4'-P-C4' energy: -174.068 flat angles P-C4'-P energy: -133.801 tors. eta vs tors. theta energy: -205.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2374.190770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.190770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.190770 (E_RNA) where: Base-Base interactions energy: -1610.684 where: short stacking energy: -652.275 Base-Backbone interact. energy: -4.672 local terms energy: -758.834559 where: bonds (distance) C4'-P energy: -152.959 bonds (distance) P-C4' energy: -165.280 flat angles C4'-P-C4' energy: -175.746 flat angles P-C4'-P energy: -100.281 tors. eta vs tors. theta energy: -164.569 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: 9 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2365.077730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.077730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.077730 (E_RNA) where: Base-Base interactions energy: -1557.062 where: short stacking energy: -708.490 Base-Backbone interact. energy: -4.119 local terms energy: -803.896194 where: bonds (distance) C4'-P energy: -151.571 bonds (distance) P-C4' energy: -156.947 flat angles C4'-P-C4' energy: -177.857 flat angles P-C4'-P energy: -119.479 tors. eta vs tors. theta energy: -198.042 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: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2088.169621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.169621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.169621 (E_RNA) where: Base-Base interactions energy: -1362.189 where: short stacking energy: -568.274 Base-Backbone interact. energy: 0.163 local terms energy: -726.143043 where: bonds (distance) C4'-P energy: -168.166 bonds (distance) P-C4' energy: -146.613 flat angles C4'-P-C4' energy: -163.841 flat angles P-C4'-P energy: -109.622 tors. eta vs tors. theta energy: -137.901 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: 60 Temperature: 1.100000 Total energy: -1986.405167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.405167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.405167 (E_RNA) where: Base-Base interactions energy: -1292.977 where: short stacking energy: -603.716 Base-Backbone interact. energy: -0.280 local terms energy: -693.148101 where: bonds (distance) C4'-P energy: -128.375 bonds (distance) P-C4' energy: -146.310 flat angles C4'-P-C4' energy: -153.668 flat angles P-C4'-P energy: -108.374 tors. eta vs tors. theta energy: -156.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1675.000211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.000211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.000211 (E_RNA) where: Base-Base interactions energy: -1009.513 where: short stacking energy: -497.009 Base-Backbone interact. energy: 1.504 local terms energy: -666.990963 where: bonds (distance) C4'-P energy: -160.433 bonds (distance) P-C4' energy: -153.786 flat angles C4'-P-C4' energy: -149.414 flat angles P-C4'-P energy: -87.123 tors. eta vs tors. theta energy: -116.235 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: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1590.004171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.004171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.004171 (E_RNA) where: Base-Base interactions energy: -941.862 where: short stacking energy: -455.445 Base-Backbone interact. energy: 1.245 local terms energy: -649.386736 where: bonds (distance) C4'-P energy: -142.341 bonds (distance) P-C4' energy: -151.148 flat angles C4'-P-C4' energy: -148.157 flat angles P-C4'-P energy: -103.105 tors. eta vs tors. theta energy: -104.635 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: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1185.341550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.341550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.341550 (E_RNA) where: Base-Base interactions energy: -649.756 where: short stacking energy: -346.215 Base-Backbone interact. energy: -2.746 local terms energy: -532.839123 where: bonds (distance) C4'-P energy: -134.131 bonds (distance) P-C4' energy: -156.773 flat angles C4'-P-C4' energy: -120.287 flat angles P-C4'-P energy: -64.827 tors. eta vs tors. theta energy: -56.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -756.944896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.944896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.944896 (E_RNA) where: Base-Base interactions energy: -327.025 where: short stacking energy: -225.948 Base-Backbone interact. energy: 1.476 local terms energy: -431.395589 where: bonds (distance) C4'-P energy: -112.607 bonds (distance) P-C4' energy: -151.132 flat angles C4'-P-C4' energy: -121.144 flat angles P-C4'-P energy: -68.258 tors. eta vs tors. theta energy: 21.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -725.380652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.380652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.380652 (E_RNA) where: Base-Base interactions energy: -323.385 where: short stacking energy: -185.433 Base-Backbone interact. energy: 3.626 local terms energy: -405.622413 where: bonds (distance) C4'-P energy: -109.794 bonds (distance) P-C4' energy: -136.957 flat angles C4'-P-C4' energy: -115.996 flat angles P-C4'-P energy: -78.764 tors. eta vs tors. theta energy: 35.889 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: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2630.417323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.417323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.417323 (E_RNA) where: Base-Base interactions energy: -1778.320 where: short stacking energy: -753.684 Base-Backbone interact. energy: -3.601 local terms energy: -848.496443 where: bonds (distance) C4'-P energy: -172.623 bonds (distance) P-C4' energy: -165.909 flat angles C4'-P-C4' energy: -188.967 flat angles P-C4'-P energy: -117.157 tors. eta vs tors. theta energy: -203.841 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: 9 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2448.373893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.373893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.373893 (E_RNA) where: Base-Base interactions energy: -1613.772 where: short stacking energy: -736.890 Base-Backbone interact. energy: -0.823 local terms energy: -833.778400 where: bonds (distance) C4'-P energy: -169.868 bonds (distance) P-C4' energy: -164.646 flat angles C4'-P-C4' energy: -172.123 flat angles P-C4'-P energy: -123.602 tors. eta vs tors. theta energy: -203.540 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: 3, replica: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2263.770754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.770754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.770754 (E_RNA) where: Base-Base interactions energy: -1501.626 where: short stacking energy: -617.728 Base-Backbone interact. energy: -4.370 local terms energy: -757.775248 where: bonds (distance) C4'-P energy: -160.528 bonds (distance) P-C4' energy: -168.830 flat angles C4'-P-C4' energy: -166.440 flat angles P-C4'-P energy: -116.802 tors. eta vs tors. theta energy: -145.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2073.901436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.901436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.901436 (E_RNA) where: Base-Base interactions energy: -1339.624 where: short stacking energy: -624.308 Base-Backbone interact. energy: 0.928 local terms energy: -735.204728 where: bonds (distance) C4'-P energy: -154.705 bonds (distance) P-C4' energy: -149.796 flat angles C4'-P-C4' energy: -156.158 flat angles P-C4'-P energy: -102.247 tors. eta vs tors. theta energy: -172.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1928.605575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.605575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.605575 (E_RNA) where: Base-Base interactions energy: -1238.437 where: short stacking energy: -572.050 Base-Backbone interact. energy: -1.134 local terms energy: -689.034327 where: bonds (distance) C4'-P energy: -156.532 bonds (distance) P-C4' energy: -154.296 flat angles C4'-P-C4' energy: -146.156 flat angles P-C4'-P energy: -93.873 tors. eta vs tors. theta energy: -138.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1604.501834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.501834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.501834 (E_RNA) where: Base-Base interactions energy: -979.953 where: short stacking energy: -461.793 Base-Backbone interact. energy: -1.861 local terms energy: -622.687219 where: bonds (distance) C4'-P energy: -148.694 bonds (distance) P-C4' energy: -134.827 flat angles C4'-P-C4' energy: -149.008 flat angles P-C4'-P energy: -90.449 tors. eta vs tors. theta energy: -99.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1594.451272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.451272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.451272 (E_RNA) where: Base-Base interactions energy: -993.022 where: short stacking energy: -492.861 Base-Backbone interact. energy: -3.401 local terms energy: -598.029093 where: bonds (distance) C4'-P energy: -136.578 bonds (distance) P-C4' energy: -140.123 flat angles C4'-P-C4' energy: -153.960 flat angles P-C4'-P energy: -75.321 tors. eta vs tors. theta energy: -92.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1112.173318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.173318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.173318 (E_RNA) where: Base-Base interactions energy: -608.863 where: short stacking energy: -302.059 Base-Backbone interact. energy: -0.397 local terms energy: -502.913002 where: bonds (distance) C4'-P energy: -112.879 bonds (distance) P-C4' energy: -144.351 flat angles C4'-P-C4' energy: -131.565 flat angles P-C4'-P energy: -92.310 tors. eta vs tors. theta energy: -21.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -741.570379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.570379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.570379 (E_RNA) where: Base-Base interactions energy: -304.435 where: short stacking energy: -241.346 Base-Backbone interact. energy: 1.739 local terms energy: -438.875089 where: bonds (distance) C4'-P energy: -124.043 bonds (distance) P-C4' energy: -140.721 flat angles C4'-P-C4' energy: -116.916 flat angles P-C4'-P energy: -76.141 tors. eta vs tors. theta energy: 18.946 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: 1 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -794.682376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.682376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.682376 (E_RNA) where: Base-Base interactions energy: -352.483 where: short stacking energy: -209.006 Base-Backbone interact. energy: 4.223 local terms energy: -446.422117 where: bonds (distance) C4'-P energy: -137.610 bonds (distance) P-C4' energy: -130.477 flat angles C4'-P-C4' energy: -116.779 flat angles P-C4'-P energy: -92.234 tors. eta vs tors. theta energy: 30.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2672.316055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.316055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.316055 (E_RNA) where: Base-Base interactions energy: -1815.673 where: short stacking energy: -777.825 Base-Backbone interact. energy: -4.901 local terms energy: -851.741548 where: bonds (distance) C4'-P energy: -170.503 bonds (distance) P-C4' energy: -168.244 flat angles C4'-P-C4' energy: -177.785 flat angles P-C4'-P energy: -123.308 tors. eta vs tors. theta energy: -211.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2431.748093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.748093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.748093 (E_RNA) where: Base-Base interactions energy: -1600.387 where: short stacking energy: -700.609 Base-Backbone interact. energy: -2.023 local terms energy: -829.337153 where: bonds (distance) C4'-P energy: -171.792 bonds (distance) P-C4' energy: -173.786 flat angles C4'-P-C4' energy: -183.987 flat angles P-C4'-P energy: -103.386 tors. eta vs tors. theta energy: -196.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2204.305542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.305542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.305542 (E_RNA) where: Base-Base interactions energy: -1433.771 where: short stacking energy: -633.308 Base-Backbone interact. energy: -3.134 local terms energy: -767.400092 where: bonds (distance) C4'-P energy: -159.422 bonds (distance) P-C4' energy: -161.259 flat angles C4'-P-C4' energy: -164.295 flat angles P-C4'-P energy: -121.313 tors. eta vs tors. theta energy: -161.110 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: 7 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2073.679536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.679536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.679536 (E_RNA) where: Base-Base interactions energy: -1335.624 where: short stacking energy: -594.186 Base-Backbone interact. energy: -4.230 local terms energy: -733.825545 where: bonds (distance) C4'-P energy: -136.762 bonds (distance) P-C4' energy: -159.653 flat angles C4'-P-C4' energy: -172.572 flat angles P-C4'-P energy: -108.035 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: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1933.505438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.505438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.505438 (E_RNA) where: Base-Base interactions energy: -1227.020 where: short stacking energy: -586.298 Base-Backbone interact. energy: -4.336 local terms energy: -702.149483 where: bonds (distance) C4'-P energy: -128.766 bonds (distance) P-C4' energy: -165.123 flat angles C4'-P-C4' energy: -161.504 flat angles P-C4'-P energy: -101.992 tors. eta vs tors. theta energy: -144.764 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: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1611.000877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.000877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.000877 (E_RNA) where: Base-Base interactions energy: -994.633 where: short stacking energy: -473.550 Base-Backbone interact. energy: -3.468 local terms energy: -612.899962 where: bonds (distance) C4'-P energy: -117.412 bonds (distance) P-C4' energy: -149.799 flat angles C4'-P-C4' energy: -155.143 flat angles P-C4'-P energy: -98.260 tors. eta vs tors. theta energy: -92.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1571.450774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.450774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.450774 (E_RNA) where: Base-Base interactions energy: -984.093 where: short stacking energy: -451.374 Base-Backbone interact. energy: -4.832 local terms energy: -582.524911 where: bonds (distance) C4'-P energy: -133.293 bonds (distance) P-C4' energy: -157.871 flat angles C4'-P-C4' energy: -142.888 flat angles P-C4'-P energy: -62.837 tors. eta vs tors. theta energy: -85.635 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: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1170.209421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.209421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.209421 (E_RNA) where: Base-Base interactions energy: -667.360 where: short stacking energy: -372.607 Base-Backbone interact. energy: 0.980 local terms energy: -503.829118 where: bonds (distance) C4'-P energy: -108.416 bonds (distance) P-C4' energy: -146.626 flat angles C4'-P-C4' energy: -132.164 flat angles P-C4'-P energy: -66.162 tors. eta vs tors. theta energy: -50.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -858.467864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.467864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.467864 (E_RNA) where: Base-Base interactions energy: -435.496 where: short stacking energy: -275.255 Base-Backbone interact. energy: 4.694 local terms energy: -427.666056 where: bonds (distance) C4'-P energy: -103.999 bonds (distance) P-C4' energy: -127.233 flat angles C4'-P-C4' energy: -101.056 flat angles P-C4'-P energy: -66.702 tors. eta vs tors. theta energy: -28.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -729.027056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.027056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.027056 (E_RNA) where: Base-Base interactions energy: -299.131 where: short stacking energy: -215.046 Base-Backbone interact. energy: 0.958 local terms energy: -430.853949 where: bonds (distance) C4'-P energy: -123.457 bonds (distance) P-C4' energy: -142.955 flat angles C4'-P-C4' energy: -116.265 flat angles P-C4'-P energy: -60.999 tors. eta vs tors. theta energy: 12.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2646.106254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.106254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.106254 (E_RNA) where: Base-Base interactions energy: -1822.221 where: short stacking energy: -746.823 Base-Backbone interact. energy: -2.424 local terms energy: -821.461602 where: bonds (distance) C4'-P energy: -164.262 bonds (distance) P-C4' energy: -169.312 flat angles C4'-P-C4' energy: -177.927 flat angles P-C4'-P energy: -115.780 tors. eta vs tors. theta energy: -194.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2464.956871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.956871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.956871 (E_RNA) where: Base-Base interactions energy: -1648.968 where: short stacking energy: -737.169 Base-Backbone interact. energy: -5.091 local terms energy: -810.897290 where: bonds (distance) C4'-P energy: -137.787 bonds (distance) P-C4' energy: -172.919 flat angles C4'-P-C4' energy: -190.688 flat angles P-C4'-P energy: -106.379 tors. eta vs tors. theta energy: -203.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2186.738366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.738366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.738366 (E_RNA) where: Base-Base interactions energy: -1461.239 where: short stacking energy: -584.084 Base-Backbone interact. energy: -4.284 local terms energy: -721.215451 where: bonds (distance) C4'-P energy: -165.442 bonds (distance) P-C4' energy: -157.917 flat angles C4'-P-C4' energy: -160.464 flat angles P-C4'-P energy: -104.633 tors. eta vs tors. theta energy: -132.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2064.342024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.342024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.342024 (E_RNA) where: Base-Base interactions energy: -1341.700 where: short stacking energy: -605.111 Base-Backbone interact. energy: -2.093 local terms energy: -720.548584 where: bonds (distance) C4'-P energy: -166.220 bonds (distance) P-C4' energy: -169.356 flat angles C4'-P-C4' energy: -141.171 flat angles P-C4'-P energy: -100.004 tors. eta vs tors. theta energy: -143.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1976.153038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.153038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.153038 (E_RNA) where: Base-Base interactions energy: -1277.600 where: short stacking energy: -616.676 Base-Backbone interact. energy: -2.740 local terms energy: -695.813057 where: bonds (distance) C4'-P energy: -145.670 bonds (distance) P-C4' energy: -136.935 flat angles C4'-P-C4' energy: -151.936 flat angles P-C4'-P energy: -97.458 tors. eta vs tors. theta energy: -163.814 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: 5 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1664.112404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.112404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.112404 (E_RNA) where: Base-Base interactions energy: -1038.442 where: short stacking energy: -486.293 Base-Backbone interact. energy: -1.161 local terms energy: -624.509350 where: bonds (distance) C4'-P energy: -128.534 bonds (distance) P-C4' energy: -151.609 flat angles C4'-P-C4' energy: -141.686 flat angles P-C4'-P energy: -100.739 tors. eta vs tors. theta energy: -101.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1562.127123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.127123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.127123 (E_RNA) where: Base-Base interactions energy: -951.293 where: short stacking energy: -446.760 Base-Backbone interact. energy: -1.351 local terms energy: -609.483209 where: bonds (distance) C4'-P energy: -158.252 bonds (distance) P-C4' energy: -144.532 flat angles C4'-P-C4' energy: -134.062 flat angles P-C4'-P energy: -81.597 tors. eta vs tors. theta energy: -91.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1202.386717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.386717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.386717 (E_RNA) where: Base-Base interactions energy: -671.066 where: short stacking energy: -367.137 Base-Backbone interact. energy: 7.744 local terms energy: -539.064176 where: bonds (distance) C4'-P energy: -134.730 bonds (distance) P-C4' energy: -134.271 flat angles C4'-P-C4' energy: -125.660 flat angles P-C4'-P energy: -84.959 tors. eta vs tors. theta energy: -59.444 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: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -838.842467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.842467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.842467 (E_RNA) where: Base-Base interactions energy: -410.876 where: short stacking energy: -227.602 Base-Backbone interact. energy: 7.406 local terms energy: -435.372542 where: bonds (distance) C4'-P energy: -110.538 bonds (distance) P-C4' energy: -144.879 flat angles C4'-P-C4' energy: -119.180 flat angles P-C4'-P energy: -84.227 tors. eta vs tors. theta energy: 23.451 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: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -677.172977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.172977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.172977 (E_RNA) where: Base-Base interactions energy: -299.003 where: short stacking energy: -203.803 Base-Backbone interact. energy: 5.759 local terms energy: -383.929248 where: bonds (distance) C4'-P energy: -125.875 bonds (distance) P-C4' energy: -150.853 flat angles C4'-P-C4' energy: -104.565 flat angles P-C4'-P energy: -41.528 tors. eta vs tors. theta energy: 38.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2633.553738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.553738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.553738 (E_RNA) where: Base-Base interactions energy: -1804.369 where: short stacking energy: -764.987 Base-Backbone interact. energy: -1.142 local terms energy: -828.042815 where: bonds (distance) C4'-P energy: -160.718 bonds (distance) P-C4' energy: -156.218 flat angles C4'-P-C4' energy: -192.742 flat angles P-C4'-P energy: -106.811 tors. eta vs tors. theta energy: -211.554 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: 9 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2462.021546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.021546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.021546 (E_RNA) where: Base-Base interactions energy: -1639.607 where: short stacking energy: -740.329 Base-Backbone interact. energy: -5.186 local terms energy: -817.228663 where: bonds (distance) C4'-P energy: -159.806 bonds (distance) P-C4' energy: -148.479 flat angles C4'-P-C4' energy: -181.855 flat angles P-C4'-P energy: -120.032 tors. eta vs tors. theta energy: -207.057 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: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2245.892418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.892418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.892418 (E_RNA) where: Base-Base interactions energy: -1483.278 where: short stacking energy: -614.297 Base-Backbone interact. energy: 2.473 local terms energy: -765.087436 where: bonds (distance) C4'-P energy: -143.017 bonds (distance) P-C4' energy: -174.631 flat angles C4'-P-C4' energy: -187.572 flat angles P-C4'-P energy: -117.764 tors. eta vs tors. theta energy: -142.104 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: 7 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2126.580517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.580517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.580517 (E_RNA) where: Base-Base interactions energy: -1382.658 where: short stacking energy: -626.776 Base-Backbone interact. energy: -1.513 local terms energy: -742.409359 where: bonds (distance) C4'-P energy: -139.499 bonds (distance) P-C4' energy: -159.733 flat angles C4'-P-C4' energy: -174.461 flat angles P-C4'-P energy: -101.650 tors. eta vs tors. theta energy: -167.067 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: 64 Temperature: 1.100000 Total energy: -1997.488448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.488448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.488448 (E_RNA) where: Base-Base interactions energy: -1256.809 where: short stacking energy: -550.812 Base-Backbone interact. energy: -2.074 local terms energy: -738.606254 where: bonds (distance) C4'-P energy: -160.557 bonds (distance) P-C4' energy: -164.403 flat angles C4'-P-C4' energy: -155.372 flat angles P-C4'-P energy: -118.347 tors. eta vs tors. theta energy: -139.926 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: 5 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1658.269031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.269031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.269031 (E_RNA) where: Base-Base interactions energy: -1022.468 where: short stacking energy: -465.787 Base-Backbone interact. energy: -1.658 local terms energy: -634.143661 where: bonds (distance) C4'-P energy: -143.455 bonds (distance) P-C4' energy: -156.798 flat angles C4'-P-C4' energy: -149.843 flat angles P-C4'-P energy: -85.400 tors. eta vs tors. theta energy: -98.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1556.031979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.031979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.031979 (E_RNA) where: Base-Base interactions energy: -970.939 where: short stacking energy: -470.229 Base-Backbone interact. energy: 0.041 local terms energy: -585.133447 where: bonds (distance) C4'-P energy: -135.703 bonds (distance) P-C4' energy: -139.860 flat angles C4'-P-C4' energy: -139.047 flat angles P-C4'-P energy: -78.867 tors. eta vs tors. theta energy: -91.657 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: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1130.834358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.834358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.834358 (E_RNA) where: Base-Base interactions energy: -644.652 where: short stacking energy: -315.815 Base-Backbone interact. energy: 2.620 local terms energy: -488.802852 where: bonds (distance) C4'-P energy: -131.924 bonds (distance) P-C4' energy: -154.531 flat angles C4'-P-C4' energy: -108.345 flat angles P-C4'-P energy: -77.248 tors. eta vs tors. theta energy: -16.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -883.110791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.110791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.110791 (E_RNA) where: Base-Base interactions energy: -434.218 where: short stacking energy: -254.743 Base-Backbone interact. energy: -1.594 local terms energy: -447.299258 where: bonds (distance) C4'-P energy: -146.132 bonds (distance) P-C4' energy: -137.604 flat angles C4'-P-C4' energy: -112.011 flat angles P-C4'-P energy: -66.914 tors. eta vs tors. theta energy: 15.361 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: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -707.316183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.316183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.316183 (E_RNA) where: Base-Base interactions energy: -292.911 where: short stacking energy: -207.716 Base-Backbone interact. energy: 4.072 local terms energy: -418.476988 where: bonds (distance) C4'-P energy: -136.518 bonds (distance) P-C4' energy: -112.912 flat angles C4'-P-C4' energy: -121.829 flat angles P-C4'-P energy: -66.633 tors. eta vs tors. theta energy: 19.414 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: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2612.237898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.237898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.237898 (E_RNA) where: Base-Base interactions energy: -1792.332 where: short stacking energy: -737.769 Base-Backbone interact. energy: 1.197 local terms energy: -821.103365 where: bonds (distance) C4'-P energy: -164.699 bonds (distance) P-C4' energy: -160.168 flat angles C4'-P-C4' energy: -176.830 flat angles P-C4'-P energy: -113.737 tors. eta vs tors. theta energy: -205.669 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: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2493.909218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.909218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.909218 (E_RNA) where: Base-Base interactions energy: -1667.629 where: short stacking energy: -732.341 Base-Backbone interact. energy: -0.657 local terms energy: -825.623177 where: bonds (distance) C4'-P energy: -162.883 bonds (distance) P-C4' energy: -169.729 flat angles C4'-P-C4' energy: -164.112 flat angles P-C4'-P energy: -120.329 tors. eta vs tors. theta energy: -208.570 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: 3, replica: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2232.594309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.594309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.594309 (E_RNA) where: Base-Base interactions energy: -1480.093 where: short stacking energy: -637.476 Base-Backbone interact. energy: -3.689 local terms energy: -748.813235 where: bonds (distance) C4'-P energy: -166.922 bonds (distance) P-C4' energy: -157.280 flat angles C4'-P-C4' energy: -171.868 flat angles P-C4'-P energy: -102.646 tors. eta vs tors. theta energy: -150.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2135.350022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.350022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.350022 (E_RNA) where: Base-Base interactions energy: -1383.693 where: short stacking energy: -601.161 Base-Backbone interact. energy: 0.105 local terms energy: -751.761713 where: bonds (distance) C4'-P energy: -150.129 bonds (distance) P-C4' energy: -162.001 flat angles C4'-P-C4' energy: -161.926 flat angles P-C4'-P energy: -113.383 tors. eta vs tors. theta energy: -164.322 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: 65 Temperature: 1.100000 Total energy: -1976.457088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.457088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.457088 (E_RNA) where: Base-Base interactions energy: -1243.029 where: short stacking energy: -543.591 Base-Backbone interact. energy: -2.914 local terms energy: -730.514028 where: bonds (distance) C4'-P energy: -146.554 bonds (distance) P-C4' energy: -166.471 flat angles C4'-P-C4' energy: -172.974 flat angles P-C4'-P energy: -92.156 tors. eta vs tors. theta energy: -152.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1653.811212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.811212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.811212 (E_RNA) where: Base-Base interactions energy: -1001.757 where: short stacking energy: -480.291 Base-Backbone interact. energy: 3.505 local terms energy: -655.558736 where: bonds (distance) C4'-P energy: -131.896 bonds (distance) P-C4' energy: -168.409 flat angles C4'-P-C4' energy: -159.444 flat angles P-C4'-P energy: -96.568 tors. eta vs tors. theta energy: -99.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1584.855146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.855146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.855146 (E_RNA) where: Base-Base interactions energy: -956.486 where: short stacking energy: -471.945 Base-Backbone interact. energy: -1.857 local terms energy: -626.511737 where: bonds (distance) C4'-P energy: -144.021 bonds (distance) P-C4' energy: -151.697 flat angles C4'-P-C4' energy: -135.680 flat angles P-C4'-P energy: -91.221 tors. eta vs tors. theta energy: -103.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1223.120688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.120688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.120688 (E_RNA) where: Base-Base interactions energy: -696.271 where: short stacking energy: -339.405 Base-Backbone interact. energy: 3.520 local terms energy: -530.369367 where: bonds (distance) C4'-P energy: -127.580 bonds (distance) P-C4' energy: -137.266 flat angles C4'-P-C4' energy: -131.734 flat angles P-C4'-P energy: -100.359 tors. eta vs tors. theta energy: -33.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -926.548801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.548801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.548801 (E_RNA) where: Base-Base interactions energy: -435.624 where: short stacking energy: -263.482 Base-Backbone interact. energy: 1.783 local terms energy: -492.707503 where: bonds (distance) C4'-P energy: -156.620 bonds (distance) P-C4' energy: -141.365 flat angles C4'-P-C4' energy: -109.454 flat angles P-C4'-P energy: -67.699 tors. eta vs tors. theta energy: -17.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -736.230526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.230526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.230526 (E_RNA) where: Base-Base interactions energy: -320.868 where: short stacking energy: -193.578 Base-Backbone interact. energy: -0.315 local terms energy: -415.046980 where: bonds (distance) C4'-P energy: -132.840 bonds (distance) P-C4' energy: -129.107 flat angles C4'-P-C4' energy: -116.789 flat angles P-C4'-P energy: -55.422 tors. eta vs tors. theta energy: 19.111 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: 8 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2631.295744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.295744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.295744 (E_RNA) where: Base-Base interactions energy: -1793.542 where: short stacking energy: -786.134 Base-Backbone interact. energy: -4.531 local terms energy: -833.222734 where: bonds (distance) C4'-P energy: -161.314 bonds (distance) P-C4' energy: -166.689 flat angles C4'-P-C4' energy: -185.181 flat angles P-C4'-P energy: -118.158 tors. eta vs tors. theta energy: -201.880 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: 9 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2487.331701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.331701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.331701 (E_RNA) where: Base-Base interactions energy: -1662.195 where: short stacking energy: -730.202 Base-Backbone interact. energy: -1.002 local terms energy: -824.135031 where: bonds (distance) C4'-P energy: -164.902 bonds (distance) P-C4' energy: -161.284 flat angles C4'-P-C4' energy: -174.697 flat angles P-C4'-P energy: -112.103 tors. eta vs tors. theta energy: -211.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2320.878932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.878932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.878932 (E_RNA) where: Base-Base interactions energy: -1570.427 where: short stacking energy: -668.034 Base-Backbone interact. energy: 2.942 local terms energy: -753.394250 where: bonds (distance) C4'-P energy: -160.521 bonds (distance) P-C4' energy: -161.722 flat angles C4'-P-C4' energy: -168.426 flat angles P-C4'-P energy: -100.401 tors. eta vs tors. theta energy: -162.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2149.154267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.154267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.154267 (E_RNA) where: Base-Base interactions energy: -1416.467 where: short stacking energy: -628.989 Base-Backbone interact. energy: -3.826 local terms energy: -728.861568 where: bonds (distance) C4'-P energy: -144.197 bonds (distance) P-C4' energy: -149.592 flat angles C4'-P-C4' energy: -165.817 flat angles P-C4'-P energy: -97.988 tors. eta vs tors. theta energy: -171.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1908.789810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.789810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.789810 (E_RNA) where: Base-Base interactions energy: -1247.225 where: short stacking energy: -574.380 Base-Backbone interact. energy: -3.239 local terms energy: -658.326381 where: bonds (distance) C4'-P energy: -144.788 bonds (distance) P-C4' energy: -150.016 flat angles C4'-P-C4' energy: -139.693 flat angles P-C4'-P energy: -92.676 tors. eta vs tors. theta energy: -131.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1699.579434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.579434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.579434 (E_RNA) where: Base-Base interactions energy: -1038.832 where: short stacking energy: -491.620 Base-Backbone interact. energy: -0.844 local terms energy: -659.903910 where: bonds (distance) C4'-P energy: -136.178 bonds (distance) P-C4' energy: -160.598 flat angles C4'-P-C4' energy: -143.230 flat angles P-C4'-P energy: -100.641 tors. eta vs tors. theta energy: -119.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1612.665176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.665176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.665176 (E_RNA) where: Base-Base interactions energy: -1010.509 where: short stacking energy: -469.941 Base-Backbone interact. energy: 1.121 local terms energy: -603.277492 where: bonds (distance) C4'-P energy: -125.237 bonds (distance) P-C4' energy: -140.312 flat angles C4'-P-C4' energy: -147.893 flat angles P-C4'-P energy: -83.250 tors. eta vs tors. theta energy: -106.585 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: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1255.757864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.757864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.757864 (E_RNA) where: Base-Base interactions energy: -756.932 where: short stacking energy: -397.554 Base-Backbone interact. energy: -0.554 local terms energy: -498.272247 where: bonds (distance) C4'-P energy: -121.662 bonds (distance) P-C4' energy: -123.977 flat angles C4'-P-C4' energy: -117.105 flat angles P-C4'-P energy: -81.772 tors. eta vs tors. theta energy: -53.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -802.790094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.790094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.790094 (E_RNA) where: Base-Base interactions energy: -328.611 where: short stacking energy: -245.296 Base-Backbone interact. energy: 3.099 local terms energy: -477.278179 where: bonds (distance) C4'-P energy: -147.970 bonds (distance) P-C4' energy: -146.002 flat angles C4'-P-C4' energy: -119.132 flat angles P-C4'-P energy: -52.490 tors. eta vs tors. theta energy: -11.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -768.622048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.622048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.622048 (E_RNA) where: Base-Base interactions energy: -333.314 where: short stacking energy: -220.897 Base-Backbone interact. energy: -0.862 local terms energy: -434.445624 where: bonds (distance) C4'-P energy: -124.863 bonds (distance) P-C4' energy: -139.885 flat angles C4'-P-C4' energy: -132.350 flat angles P-C4'-P energy: -54.675 tors. eta vs tors. theta energy: 17.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2637.394636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.394636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.394636 (E_RNA) where: Base-Base interactions energy: -1803.668 where: short stacking energy: -779.860 Base-Backbone interact. energy: -2.275 local terms energy: -831.450831 where: bonds (distance) C4'-P energy: -171.051 bonds (distance) P-C4' energy: -161.080 flat angles C4'-P-C4' energy: -174.220 flat angles P-C4'-P energy: -105.826 tors. eta vs tors. theta energy: -219.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2513.779972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.779972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.779972 (E_RNA) where: Base-Base interactions energy: -1658.136 where: short stacking energy: -738.830 Base-Backbone interact. energy: -4.594 local terms energy: -851.049235 where: bonds (distance) C4'-P energy: -168.265 bonds (distance) P-C4' energy: -162.581 flat angles C4'-P-C4' energy: -179.569 flat angles P-C4'-P energy: -137.824 tors. eta vs tors. theta energy: -202.810 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: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2229.794842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.794842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.794842 (E_RNA) where: Base-Base interactions energy: -1488.903 where: short stacking energy: -641.640 Base-Backbone interact. energy: 3.385 local terms energy: -744.277682 where: bonds (distance) C4'-P energy: -148.244 bonds (distance) P-C4' energy: -161.915 flat angles C4'-P-C4' energy: -174.755 flat angles P-C4'-P energy: -100.630 tors. eta vs tors. theta energy: -158.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2160.015198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.015198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.015198 (E_RNA) where: Base-Base interactions energy: -1401.342 where: short stacking energy: -660.319 Base-Backbone interact. energy: 5.431 local terms energy: -764.104408 where: bonds (distance) C4'-P energy: -151.959 bonds (distance) P-C4' energy: -152.718 flat angles C4'-P-C4' energy: -174.898 flat angles P-C4'-P energy: -105.007 tors. eta vs tors. theta energy: -179.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1915.546415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.546415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.546415 (E_RNA) where: Base-Base interactions energy: -1224.237 where: short stacking energy: -583.526 Base-Backbone interact. energy: -0.613 local terms energy: -690.695829 where: bonds (distance) C4'-P energy: -157.808 bonds (distance) P-C4' energy: -135.126 flat angles C4'-P-C4' energy: -156.104 flat angles P-C4'-P energy: -100.721 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: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1715.729816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.729816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.729816 (E_RNA) where: Base-Base interactions energy: -1061.536 where: short stacking energy: -518.711 Base-Backbone interact. energy: 0.940 local terms energy: -655.133534 where: bonds (distance) C4'-P energy: -143.149 bonds (distance) P-C4' energy: -156.094 flat angles C4'-P-C4' energy: -149.930 flat angles P-C4'-P energy: -88.265 tors. eta vs tors. theta energy: -117.696 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: 7, replica: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1666.427639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.427639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.427639 (E_RNA) where: Base-Base interactions energy: -1038.584 where: short stacking energy: -491.803 Base-Backbone interact. energy: -4.259 local terms energy: -623.584577 where: bonds (distance) C4'-P energy: -132.052 bonds (distance) P-C4' energy: -137.935 flat angles C4'-P-C4' energy: -139.008 flat angles P-C4'-P energy: -93.903 tors. eta vs tors. theta energy: -120.686 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: 4 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1250.599501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.599501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.599501 (E_RNA) where: Base-Base interactions energy: -715.015 where: short stacking energy: -361.523 Base-Backbone interact. energy: -1.732 local terms energy: -533.851778 where: bonds (distance) C4'-P energy: -129.612 bonds (distance) P-C4' energy: -140.024 flat angles C4'-P-C4' energy: -141.386 flat angles P-C4'-P energy: -66.445 tors. eta vs tors. theta energy: -56.385 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: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -773.722349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.722349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.722349 (E_RNA) where: Base-Base interactions energy: -326.798 where: short stacking energy: -218.171 Base-Backbone interact. energy: 1.172 local terms energy: -448.096055 where: bonds (distance) C4'-P energy: -124.780 bonds (distance) P-C4' energy: -142.103 flat angles C4'-P-C4' energy: -128.615 flat angles P-C4'-P energy: -71.405 tors. eta vs tors. theta energy: 18.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -750.927469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.927469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.927469 (E_RNA) where: Base-Base interactions energy: -386.230 where: short stacking energy: -221.402 Base-Backbone interact. energy: 5.343 local terms energy: -370.040494 where: bonds (distance) C4'-P energy: -115.899 bonds (distance) P-C4' energy: -122.478 flat angles C4'-P-C4' energy: -96.422 flat angles P-C4'-P energy: -53.199 tors. eta vs tors. theta energy: 17.958 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: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2604.717004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.717004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.717004 (E_RNA) where: Base-Base interactions energy: -1767.204 where: short stacking energy: -768.225 Base-Backbone interact. energy: 0.354 local terms energy: -837.866530 where: bonds (distance) C4'-P energy: -172.299 bonds (distance) P-C4' energy: -165.562 flat angles C4'-P-C4' energy: -162.437 flat angles P-C4'-P energy: -118.605 tors. eta vs tors. theta energy: -218.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2535.875667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.875667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.875667 (E_RNA) where: Base-Base interactions energy: -1725.509 where: short stacking energy: -713.591 Base-Backbone interact. energy: -3.698 local terms energy: -806.668292 where: bonds (distance) C4'-P energy: -161.103 bonds (distance) P-C4' energy: -153.161 flat angles C4'-P-C4' energy: -177.585 flat angles P-C4'-P energy: -117.476 tors. eta vs tors. theta energy: -197.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2207.273593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.273593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.273593 (E_RNA) where: Base-Base interactions energy: -1481.454 where: short stacking energy: -637.821 Base-Backbone interact. energy: -1.932 local terms energy: -723.887925 where: bonds (distance) C4'-P energy: -159.115 bonds (distance) P-C4' energy: -139.749 flat angles C4'-P-C4' energy: -173.027 flat angles P-C4'-P energy: -97.150 tors. eta vs tors. theta energy: -154.846 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: 4, replica: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2101.060810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.060810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.060810 (E_RNA) where: Base-Base interactions energy: -1357.839 where: short stacking energy: -636.392 Base-Backbone interact. energy: -1.785 local terms energy: -741.436901 where: bonds (distance) C4'-P energy: -151.869 bonds (distance) P-C4' energy: -160.929 flat angles C4'-P-C4' energy: -161.039 flat angles P-C4'-P energy: -85.451 tors. eta vs tors. theta energy: -182.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1979.492752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.492752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.492752 (E_RNA) where: Base-Base interactions energy: -1306.218 where: short stacking energy: -598.986 Base-Backbone interact. energy: -2.649 local terms energy: -670.625192 where: bonds (distance) C4'-P energy: -131.822 bonds (distance) P-C4' energy: -147.096 flat angles C4'-P-C4' energy: -156.426 flat angles P-C4'-P energy: -86.760 tors. eta vs tors. theta energy: -148.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1726.431210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.431210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.431210 (E_RNA) where: Base-Base interactions energy: -1087.521 where: short stacking energy: -502.649 Base-Backbone interact. energy: -2.030 local terms energy: -636.879861 where: bonds (distance) C4'-P energy: -144.225 bonds (distance) P-C4' energy: -123.986 flat angles C4'-P-C4' energy: -165.193 flat angles P-C4'-P energy: -90.045 tors. eta vs tors. theta energy: -113.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1615.880633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.880633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.880633 (E_RNA) where: Base-Base interactions energy: -1019.616 where: short stacking energy: -457.192 Base-Backbone interact. energy: 4.758 local terms energy: -601.022296 where: bonds (distance) C4'-P energy: -140.596 bonds (distance) P-C4' energy: -144.907 flat angles C4'-P-C4' energy: -140.910 flat angles P-C4'-P energy: -82.541 tors. eta vs tors. theta energy: -92.070 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: 8, replica: 4 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1276.242699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.242699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.242699 (E_RNA) where: Base-Base interactions energy: -734.991 where: short stacking energy: -403.320 Base-Backbone interact. energy: 4.699 local terms energy: -545.950403 where: bonds (distance) C4'-P energy: -119.883 bonds (distance) P-C4' energy: -144.815 flat angles C4'-P-C4' energy: -133.895 flat angles P-C4'-P energy: -91.077 tors. eta vs tors. theta energy: -56.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -794.859694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.859694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.859694 (E_RNA) where: Base-Base interactions energy: -328.250 where: short stacking energy: -220.552 Base-Backbone interact. energy: 3.531 local terms energy: -470.140356 where: bonds (distance) C4'-P energy: -132.539 bonds (distance) P-C4' energy: -135.156 flat angles C4'-P-C4' energy: -126.033 flat angles P-C4'-P energy: -83.455 tors. eta vs tors. theta energy: 7.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -670.241154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.241154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.241154 (E_RNA) where: Base-Base interactions energy: -278.028 where: short stacking energy: -177.667 Base-Backbone interact. energy: 2.320 local terms energy: -394.533104 where: bonds (distance) C4'-P energy: -130.209 bonds (distance) P-C4' energy: -129.085 flat angles C4'-P-C4' energy: -109.028 flat angles P-C4'-P energy: -68.357 tors. eta vs tors. theta energy: 42.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2655.939885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.939885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.939885 (E_RNA) where: Base-Base interactions energy: -1785.376 where: short stacking energy: -809.704 Base-Backbone interact. energy: -4.068 local terms energy: -866.496225 where: bonds (distance) C4'-P energy: -148.855 bonds (distance) P-C4' energy: -170.659 flat angles C4'-P-C4' energy: -183.831 flat angles P-C4'-P energy: -131.859 tors. eta vs tors. theta energy: -231.291 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: 69 Temperature: 0.950000 Total energy: -2575.234994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.234994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.234994 (E_RNA) where: Base-Base interactions energy: -1766.351 where: short stacking energy: -755.213 Base-Backbone interact. energy: -3.074 local terms energy: -805.809495 where: bonds (distance) C4'-P energy: -138.284 bonds (distance) P-C4' energy: -158.946 flat angles C4'-P-C4' energy: -174.361 flat angles P-C4'-P energy: -120.228 tors. eta vs tors. theta energy: -213.991 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: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2186.003745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.003745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.003745 (E_RNA) where: Base-Base interactions energy: -1455.139 where: short stacking energy: -613.197 Base-Backbone interact. energy: 0.985 local terms energy: -731.850375 where: bonds (distance) C4'-P energy: -147.720 bonds (distance) P-C4' energy: -164.149 flat angles C4'-P-C4' energy: -160.335 flat angles P-C4'-P energy: -112.616 tors. eta vs tors. theta energy: -147.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2152.324301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.324301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.324301 (E_RNA) where: Base-Base interactions energy: -1392.944 where: short stacking energy: -627.697 Base-Backbone interact. energy: -1.321 local terms energy: -758.059984 where: bonds (distance) C4'-P energy: -140.995 bonds (distance) P-C4' energy: -157.671 flat angles C4'-P-C4' energy: -164.950 flat angles P-C4'-P energy: -107.721 tors. eta vs tors. theta energy: -186.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2033.854682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.854682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.854682 (E_RNA) where: Base-Base interactions energy: -1304.737 where: short stacking energy: -596.795 Base-Backbone interact. energy: -3.727 local terms energy: -725.391335 where: bonds (distance) C4'-P energy: -161.553 bonds (distance) P-C4' energy: -144.157 flat angles C4'-P-C4' energy: -155.664 flat angles P-C4'-P energy: -104.615 tors. eta vs tors. theta energy: -159.403 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: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1753.370199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.370199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.370199 (E_RNA) where: Base-Base interactions energy: -1099.514 where: short stacking energy: -528.605 Base-Backbone interact. energy: -2.390 local terms energy: -651.466893 where: bonds (distance) C4'-P energy: -125.371 bonds (distance) P-C4' energy: -148.461 flat angles C4'-P-C4' energy: -158.241 flat angles P-C4'-P energy: -97.566 tors. eta vs tors. theta energy: -121.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1593.194968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.194968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.194968 (E_RNA) where: Base-Base interactions energy: -1006.908 where: short stacking energy: -460.446 Base-Backbone interact. energy: 6.514 local terms energy: -592.800017 where: bonds (distance) C4'-P energy: -139.466 bonds (distance) P-C4' energy: -132.955 flat angles C4'-P-C4' energy: -146.206 flat angles P-C4'-P energy: -87.281 tors. eta vs tors. theta energy: -86.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1252.998683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.998683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.998683 (E_RNA) where: Base-Base interactions energy: -710.382 where: short stacking energy: -337.642 Base-Backbone interact. energy: -2.844 local terms energy: -539.772545 where: bonds (distance) C4'-P energy: -148.635 bonds (distance) P-C4' energy: -167.757 flat angles C4'-P-C4' energy: -136.182 flat angles P-C4'-P energy: -62.275 tors. eta vs tors. theta energy: -24.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -824.109684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.109684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.109684 (E_RNA) where: Base-Base interactions energy: -384.831 where: short stacking energy: -228.153 Base-Backbone interact. energy: 4.282 local terms energy: -443.561192 where: bonds (distance) C4'-P energy: -143.375 bonds (distance) P-C4' energy: -130.815 flat angles C4'-P-C4' energy: -114.082 flat angles P-C4'-P energy: -79.996 tors. eta vs tors. theta energy: 24.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -731.409076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.409076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.409076 (E_RNA) where: Base-Base interactions energy: -318.818 where: short stacking energy: -220.858 Base-Backbone interact. energy: 3.159 local terms energy: -415.749931 where: bonds (distance) C4'-P energy: -121.695 bonds (distance) P-C4' energy: -130.118 flat angles C4'-P-C4' energy: -105.377 flat angles P-C4'-P energy: -61.694 tors. eta vs tors. theta energy: 3.134 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: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2639.886441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.886441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.886441 (E_RNA) where: Base-Base interactions energy: -1775.756 where: short stacking energy: -784.058 Base-Backbone interact. energy: -5.460 local terms energy: -858.671168 where: bonds (distance) C4'-P energy: -169.722 bonds (distance) P-C4' energy: -172.187 flat angles C4'-P-C4' energy: -186.826 flat angles P-C4'-P energy: -114.017 tors. eta vs tors. theta energy: -215.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2553.099465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.099465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.099465 (E_RNA) where: Base-Base interactions energy: -1727.184 where: short stacking energy: -757.556 Base-Backbone interact. energy: -3.928 local terms energy: -821.986833 where: bonds (distance) C4'-P energy: -146.341 bonds (distance) P-C4' energy: -168.784 flat angles C4'-P-C4' energy: -177.637 flat angles P-C4'-P energy: -120.586 tors. eta vs tors. theta energy: -208.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2240.921401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.921401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.921401 (E_RNA) where: Base-Base interactions energy: -1463.358 where: short stacking energy: -671.149 Base-Backbone interact. energy: -3.882 local terms energy: -773.681878 where: bonds (distance) C4'-P energy: -168.917 bonds (distance) P-C4' energy: -154.793 flat angles C4'-P-C4' energy: -173.432 flat angles P-C4'-P energy: -107.527 tors. eta vs tors. theta energy: -169.013 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: 4, replica: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2186.127259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.127259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.127259 (E_RNA) where: Base-Base interactions energy: -1442.704 where: short stacking energy: -632.388 Base-Backbone interact. energy: -2.106 local terms energy: -741.316978 where: bonds (distance) C4'-P energy: -141.927 bonds (distance) P-C4' energy: -159.717 flat angles C4'-P-C4' energy: -161.734 flat angles P-C4'-P energy: -105.837 tors. eta vs tors. theta energy: -172.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2045.769041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.769041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.769041 (E_RNA) where: Base-Base interactions energy: -1318.267 where: short stacking energy: -595.492 Base-Backbone interact. energy: -3.652 local terms energy: -723.850822 where: bonds (distance) C4'-P energy: -131.224 bonds (distance) P-C4' energy: -161.873 flat angles C4'-P-C4' energy: -169.485 flat angles P-C4'-P energy: -99.708 tors. eta vs tors. theta energy: -161.561 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: 6, replica: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1755.243481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.243481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.243481 (E_RNA) where: Base-Base interactions energy: -1073.509 where: short stacking energy: -515.952 Base-Backbone interact. energy: 0.726 local terms energy: -682.460877 where: bonds (distance) C4'-P energy: -157.077 bonds (distance) P-C4' energy: -166.238 flat angles C4'-P-C4' energy: -150.221 flat angles P-C4'-P energy: -96.210 tors. eta vs tors. theta energy: -112.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1540.048829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.048829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.048829 (E_RNA) where: Base-Base interactions energy: -924.285 where: short stacking energy: -460.181 Base-Backbone interact. energy: 1.392 local terms energy: -617.155673 where: bonds (distance) C4'-P energy: -135.076 bonds (distance) P-C4' energy: -136.937 flat angles C4'-P-C4' energy: -142.720 flat angles P-C4'-P energy: -94.988 tors. eta vs tors. theta energy: -107.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1277.047460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.047460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.047460 (E_RNA) where: Base-Base interactions energy: -734.245 where: short stacking energy: -367.068 Base-Backbone interact. energy: -0.309 local terms energy: -542.492859 where: bonds (distance) C4'-P energy: -134.786 bonds (distance) P-C4' energy: -150.918 flat angles C4'-P-C4' energy: -134.924 flat angles P-C4'-P energy: -77.803 tors. eta vs tors. theta energy: -44.061 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: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -928.795317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.795317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.795317 (E_RNA) where: Base-Base interactions energy: -480.778 where: short stacking energy: -239.302 Base-Backbone interact. energy: 1.147 local terms energy: -449.164355 where: bonds (distance) C4'-P energy: -120.418 bonds (distance) P-C4' energy: -129.409 flat angles C4'-P-C4' energy: -135.849 flat angles P-C4'-P energy: -84.866 tors. eta vs tors. theta energy: 21.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -709.342865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.342865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.342865 (E_RNA) where: Base-Base interactions energy: -294.310 where: short stacking energy: -196.442 Base-Backbone interact. energy: 1.729 local terms energy: -416.761096 where: bonds (distance) C4'-P energy: -140.355 bonds (distance) P-C4' energy: -128.864 flat angles C4'-P-C4' energy: -118.702 flat angles P-C4'-P energy: -76.257 tors. eta vs tors. theta energy: 47.417 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: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2659.244501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.244501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.244501 (E_RNA) where: Base-Base interactions energy: -1760.037 where: short stacking energy: -775.552 Base-Backbone interact. energy: -2.673 local terms energy: -896.533816 where: bonds (distance) C4'-P energy: -171.463 bonds (distance) P-C4' energy: -180.510 flat angles C4'-P-C4' energy: -188.149 flat angles P-C4'-P energy: -129.750 tors. eta vs tors. theta energy: -226.662 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: 2, replica: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2556.263334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.263334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.263334 (E_RNA) where: Base-Base interactions energy: -1731.245 where: short stacking energy: -721.184 Base-Backbone interact. energy: -2.279 local terms energy: -822.739351 where: bonds (distance) C4'-P energy: -160.621 bonds (distance) P-C4' energy: -176.210 flat angles C4'-P-C4' energy: -176.024 flat angles P-C4'-P energy: -115.566 tors. eta vs tors. theta energy: -194.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2261.144272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.144272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.144272 (E_RNA) where: Base-Base interactions energy: -1539.066 where: short stacking energy: -674.129 Base-Backbone interact. energy: -1.614 local terms energy: -720.464383 where: bonds (distance) C4'-P energy: -145.682 bonds (distance) P-C4' energy: -138.283 flat angles C4'-P-C4' energy: -175.207 flat angles P-C4'-P energy: -95.454 tors. eta vs tors. theta energy: -165.838 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: 7 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2240.500514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.500514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.500514 (E_RNA) where: Base-Base interactions energy: -1481.911 where: short stacking energy: -641.781 Base-Backbone interact. energy: -1.635 local terms energy: -756.955030 where: bonds (distance) C4'-P energy: -136.441 bonds (distance) P-C4' energy: -154.254 flat angles C4'-P-C4' energy: -161.199 flat angles P-C4'-P energy: -118.659 tors. eta vs tors. theta energy: -186.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1985.941223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.941223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.941223 (E_RNA) where: Base-Base interactions energy: -1277.555 where: short stacking energy: -581.616 Base-Backbone interact. energy: 0.949 local terms energy: -709.334759 where: bonds (distance) C4'-P energy: -136.054 bonds (distance) P-C4' energy: -156.411 flat angles C4'-P-C4' energy: -165.842 flat angles P-C4'-P energy: -104.684 tors. eta vs tors. theta energy: -146.343 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: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1702.883148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.883148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.883148 (E_RNA) where: Base-Base interactions energy: -1055.594 where: short stacking energy: -511.189 Base-Backbone interact. energy: -1.670 local terms energy: -645.619323 where: bonds (distance) C4'-P energy: -138.678 bonds (distance) P-C4' energy: -153.749 flat angles C4'-P-C4' energy: -156.193 flat angles P-C4'-P energy: -97.785 tors. eta vs tors. theta energy: -99.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1529.035784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.035784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.035784 (E_RNA) where: Base-Base interactions energy: -974.501 where: short stacking energy: -449.934 Base-Backbone interact. energy: 0.818 local terms energy: -555.352103 where: bonds (distance) C4'-P energy: -113.539 bonds (distance) P-C4' energy: -139.011 flat angles C4'-P-C4' energy: -139.482 flat angles P-C4'-P energy: -83.442 tors. eta vs tors. theta energy: -79.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1200.525410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.525410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.525410 (E_RNA) where: Base-Base interactions energy: -646.881 where: short stacking energy: -323.354 Base-Backbone interact. energy: 1.430 local terms energy: -555.074841 where: bonds (distance) C4'-P energy: -137.855 bonds (distance) P-C4' energy: -145.992 flat angles C4'-P-C4' energy: -148.996 flat angles P-C4'-P energy: -79.317 tors. eta vs tors. theta energy: -42.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -914.426759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.426759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.426759 (E_RNA) where: Base-Base interactions energy: -459.278 where: short stacking energy: -291.964 Base-Backbone interact. energy: 0.137 local terms energy: -455.285619 where: bonds (distance) C4'-P energy: -132.712 bonds (distance) P-C4' energy: -123.312 flat angles C4'-P-C4' energy: -124.478 flat angles P-C4'-P energy: -61.702 tors. eta vs tors. theta energy: -13.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -684.458301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.458301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.458301 (E_RNA) where: Base-Base interactions energy: -256.736 where: short stacking energy: -189.196 Base-Backbone interact. energy: -0.142 local terms energy: -427.580303 where: bonds (distance) C4'-P energy: -122.833 bonds (distance) P-C4' energy: -139.667 flat angles C4'-P-C4' energy: -115.629 flat angles P-C4'-P energy: -68.662 tors. eta vs tors. theta energy: 19.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2635.436710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.436710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.436710 (E_RNA) where: Base-Base interactions energy: -1773.609 where: short stacking energy: -768.281 Base-Backbone interact. energy: -4.202 local terms energy: -857.625633 where: bonds (distance) C4'-P energy: -162.669 bonds (distance) P-C4' energy: -162.878 flat angles C4'-P-C4' energy: -189.412 flat angles P-C4'-P energy: -122.301 tors. eta vs tors. theta energy: -220.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2546.327295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.327295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.327295 (E_RNA) where: Base-Base interactions energy: -1723.562 where: short stacking energy: -749.372 Base-Backbone interact. energy: -3.491 local terms energy: -819.274072 where: bonds (distance) C4'-P energy: -157.813 bonds (distance) P-C4' energy: -163.768 flat angles C4'-P-C4' energy: -174.660 flat angles P-C4'-P energy: -115.970 tors. eta vs tors. theta energy: -207.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2259.476276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.476276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.476276 (E_RNA) where: Base-Base interactions energy: -1514.573 where: short stacking energy: -656.287 Base-Backbone interact. energy: -2.952 local terms energy: -741.951939 where: bonds (distance) C4'-P energy: -133.236 bonds (distance) P-C4' energy: -153.517 flat angles C4'-P-C4' energy: -169.371 flat angles P-C4'-P energy: -111.006 tors. eta vs tors. theta energy: -174.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2238.286688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.286688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.286688 (E_RNA) where: Base-Base interactions energy: -1487.558 where: short stacking energy: -648.078 Base-Backbone interact. energy: -2.617 local terms energy: -748.111076 where: bonds (distance) C4'-P energy: -138.822 bonds (distance) P-C4' energy: -156.623 flat angles C4'-P-C4' energy: -172.209 flat angles P-C4'-P energy: -92.421 tors. eta vs tors. theta energy: -188.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2020.668374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.668374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.668374 (E_RNA) where: Base-Base interactions energy: -1291.417 where: short stacking energy: -590.062 Base-Backbone interact. energy: -2.513 local terms energy: -726.738792 where: bonds (distance) C4'-P energy: -151.083 bonds (distance) P-C4' energy: -160.478 flat angles C4'-P-C4' energy: -156.437 flat angles P-C4'-P energy: -96.986 tors. eta vs tors. theta energy: -161.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1750.002303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.002303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.002303 (E_RNA) where: Base-Base interactions energy: -1073.126 where: short stacking energy: -523.885 Base-Backbone interact. energy: -1.737 local terms energy: -675.140156 where: bonds (distance) C4'-P energy: -135.796 bonds (distance) P-C4' energy: -158.769 flat angles C4'-P-C4' energy: -142.143 flat angles P-C4'-P energy: -118.537 tors. eta vs tors. theta energy: -119.895 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: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1509.801771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.801771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.801771 (E_RNA) where: Base-Base interactions energy: -895.312 where: short stacking energy: -411.914 Base-Backbone interact. energy: -1.877 local terms energy: -612.612270 where: bonds (distance) C4'-P energy: -135.758 bonds (distance) P-C4' energy: -135.412 flat angles C4'-P-C4' energy: -169.250 flat angles P-C4'-P energy: -92.738 tors. eta vs tors. theta energy: -79.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1267.173859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.173859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.173859 (E_RNA) where: Base-Base interactions energy: -724.675 where: short stacking energy: -344.524 Base-Backbone interact. energy: 7.448 local terms energy: -549.946975 where: bonds (distance) C4'-P energy: -152.857 bonds (distance) P-C4' energy: -139.733 flat angles C4'-P-C4' energy: -120.584 flat angles P-C4'-P energy: -83.993 tors. eta vs tors. theta energy: -52.780 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: 9, replica: 1 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -930.382310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.382310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.382310 (E_RNA) where: Base-Base interactions energy: -473.485 where: short stacking energy: -274.744 Base-Backbone interact. energy: 2.606 local terms energy: -459.502850 where: bonds (distance) C4'-P energy: -139.739 bonds (distance) P-C4' energy: -135.049 flat angles C4'-P-C4' energy: -104.676 flat angles P-C4'-P energy: -65.069 tors. eta vs tors. theta energy: -14.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -663.198463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.198463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.198463 (E_RNA) where: Base-Base interactions energy: -274.401 where: short stacking energy: -199.161 Base-Backbone interact. energy: -0.930 local terms energy: -387.867207 where: bonds (distance) C4'-P energy: -116.933 bonds (distance) P-C4' energy: -131.264 flat angles C4'-P-C4' energy: -103.785 flat angles P-C4'-P energy: -53.238 tors. eta vs tors. theta energy: 17.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2671.811484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.811484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.811484 (E_RNA) where: Base-Base interactions energy: -1797.974 where: short stacking energy: -829.938 Base-Backbone interact. energy: -0.826 local terms energy: -873.011372 where: bonds (distance) C4'-P energy: -162.881 bonds (distance) P-C4' energy: -158.883 flat angles C4'-P-C4' energy: -191.402 flat angles P-C4'-P energy: -118.297 tors. eta vs tors. theta energy: -241.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2553.837710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.837710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.837710 (E_RNA) where: Base-Base interactions energy: -1734.064 where: short stacking energy: -701.671 Base-Backbone interact. energy: -3.671 local terms energy: -816.102511 where: bonds (distance) C4'-P energy: -157.887 bonds (distance) P-C4' energy: -163.511 flat angles C4'-P-C4' energy: -184.562 flat angles P-C4'-P energy: -109.036 tors. eta vs tors. theta energy: -201.106 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: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2270.235335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.235335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.235335 (E_RNA) where: Base-Base interactions energy: -1514.502 where: short stacking energy: -637.968 Base-Backbone interact. energy: -2.895 local terms energy: -752.837615 where: bonds (distance) C4'-P energy: -155.445 bonds (distance) P-C4' energy: -151.468 flat angles C4'-P-C4' energy: -171.605 flat angles P-C4'-P energy: -104.646 tors. eta vs tors. theta energy: -169.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2204.643845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.643845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.643845 (E_RNA) where: Base-Base interactions energy: -1451.286 where: short stacking energy: -639.217 Base-Backbone interact. energy: -2.268 local terms energy: -751.090432 where: bonds (distance) C4'-P energy: -145.372 bonds (distance) P-C4' energy: -155.080 flat angles C4'-P-C4' energy: -168.491 flat angles P-C4'-P energy: -91.073 tors. eta vs tors. theta energy: -191.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2009.375197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.375197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.375197 (E_RNA) where: Base-Base interactions energy: -1321.673 where: short stacking energy: -611.251 Base-Backbone interact. energy: -0.758 local terms energy: -686.944067 where: bonds (distance) C4'-P energy: -142.187 bonds (distance) P-C4' energy: -158.988 flat angles C4'-P-C4' energy: -149.158 flat angles P-C4'-P energy: -82.509 tors. eta vs tors. theta energy: -154.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1763.190620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.190620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.190620 (E_RNA) where: Base-Base interactions energy: -1114.367 where: short stacking energy: -532.024 Base-Backbone interact. energy: -2.021 local terms energy: -646.803277 where: bonds (distance) C4'-P energy: -120.107 bonds (distance) P-C4' energy: -138.959 flat angles C4'-P-C4' energy: -160.731 flat angles P-C4'-P energy: -102.306 tors. eta vs tors. theta energy: -124.701 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: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1435.603968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.603968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.603968 (E_RNA) where: Base-Base interactions energy: -877.120 where: short stacking energy: -424.554 Base-Backbone interact. energy: 1.970 local terms energy: -560.453899 where: bonds (distance) C4'-P energy: -131.602 bonds (distance) P-C4' energy: -133.700 flat angles C4'-P-C4' energy: -134.808 flat angles P-C4'-P energy: -97.776 tors. eta vs tors. theta energy: -62.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1420.416735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.416735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.416735 (E_RNA) where: Base-Base interactions energy: -842.008 where: short stacking energy: -394.155 Base-Backbone interact. energy: -4.368 local terms energy: -574.040361 where: bonds (distance) C4'-P energy: -141.518 bonds (distance) P-C4' energy: -133.516 flat angles C4'-P-C4' energy: -136.673 flat angles P-C4'-P energy: -83.719 tors. eta vs tors. theta energy: -78.614 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: 9, replica: 1 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -827.159440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.159440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.159440 (E_RNA) where: Base-Base interactions energy: -410.700 where: short stacking energy: -226.974 Base-Backbone interact. energy: 0.586 local terms energy: -417.045759 where: bonds (distance) C4'-P energy: -135.124 bonds (distance) P-C4' energy: -133.656 flat angles C4'-P-C4' energy: -115.557 flat angles P-C4'-P energy: -71.099 tors. eta vs tors. theta energy: 38.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -682.651555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.651555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.651555 (E_RNA) where: Base-Base interactions energy: -264.242 where: short stacking energy: -173.334 Base-Backbone interact. energy: 7.426 local terms energy: -425.835660 where: bonds (distance) C4'-P energy: -134.546 bonds (distance) P-C4' energy: -147.184 flat angles C4'-P-C4' energy: -109.619 flat angles P-C4'-P energy: -65.857 tors. eta vs tors. theta energy: 31.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2679.104738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.104738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.104738 (E_RNA) where: Base-Base interactions energy: -1816.721 where: short stacking energy: -810.053 Base-Backbone interact. energy: -2.622 local terms energy: -859.761408 where: bonds (distance) C4'-P energy: -170.569 bonds (distance) P-C4' energy: -160.793 flat angles C4'-P-C4' energy: -192.353 flat angles P-C4'-P energy: -108.057 tors. eta vs tors. theta energy: -227.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2546.734267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.734267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.734267 (E_RNA) where: Base-Base interactions energy: -1719.272 where: short stacking energy: -715.755 Base-Backbone interact. energy: -4.390 local terms energy: -823.071926 where: bonds (distance) C4'-P energy: -156.435 bonds (distance) P-C4' energy: -165.220 flat angles C4'-P-C4' energy: -178.163 flat angles P-C4'-P energy: -116.395 tors. eta vs tors. theta energy: -206.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2250.896525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.896525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.896525 (E_RNA) where: Base-Base interactions energy: -1519.752 where: short stacking energy: -649.704 Base-Backbone interact. energy: -2.345 local terms energy: -728.799190 where: bonds (distance) C4'-P energy: -138.358 bonds (distance) P-C4' energy: -153.014 flat angles C4'-P-C4' energy: -168.848 flat angles P-C4'-P energy: -102.059 tors. eta vs tors. theta energy: -166.521 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: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2227.424011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.424011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.424011 (E_RNA) where: Base-Base interactions energy: -1457.409 where: short stacking energy: -631.765 Base-Backbone interact. energy: -2.487 local terms energy: -767.528373 where: bonds (distance) C4'-P energy: -130.072 bonds (distance) P-C4' energy: -167.337 flat angles C4'-P-C4' energy: -171.812 flat angles P-C4'-P energy: -115.295 tors. eta vs tors. theta energy: -183.012 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: 74 Temperature: 1.100000 Total energy: -2014.811245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.811245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.811245 (E_RNA) where: Base-Base interactions energy: -1324.409 where: short stacking energy: -617.995 Base-Backbone interact. energy: 2.081 local terms energy: -692.483133 where: bonds (distance) C4'-P energy: -153.045 bonds (distance) P-C4' energy: -130.124 flat angles C4'-P-C4' energy: -164.119 flat angles P-C4'-P energy: -95.571 tors. eta vs tors. theta energy: -149.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1875.066178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.066178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.066178 (E_RNA) where: Base-Base interactions energy: -1192.376 where: short stacking energy: -554.845 Base-Backbone interact. energy: -1.946 local terms energy: -680.744480 where: bonds (distance) C4'-P energy: -124.695 bonds (distance) P-C4' energy: -145.418 flat angles C4'-P-C4' energy: -156.960 flat angles P-C4'-P energy: -112.341 tors. eta vs tors. theta energy: -141.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1431.135871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.135871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.135871 (E_RNA) where: Base-Base interactions energy: -834.647 where: short stacking energy: -425.790 Base-Backbone interact. energy: 1.328 local terms energy: -597.817461 where: bonds (distance) C4'-P energy: -143.427 bonds (distance) P-C4' energy: -148.698 flat angles C4'-P-C4' energy: -128.130 flat angles P-C4'-P energy: -88.902 tors. eta vs tors. theta energy: -88.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1385.930441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.930441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.930441 (E_RNA) where: Base-Base interactions energy: -812.736 where: short stacking energy: -389.795 Base-Backbone interact. energy: -3.438 local terms energy: -569.756691 where: bonds (distance) C4'-P energy: -135.529 bonds (distance) P-C4' energy: -146.247 flat angles C4'-P-C4' energy: -142.657 flat angles P-C4'-P energy: -78.046 tors. eta vs tors. theta energy: -67.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -920.507377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.507377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.507377 (E_RNA) where: Base-Base interactions energy: -460.310 where: short stacking energy: -256.956 Base-Backbone interact. energy: 3.228 local terms energy: -463.425329 where: bonds (distance) C4'-P energy: -124.989 bonds (distance) P-C4' energy: -136.612 flat angles C4'-P-C4' energy: -126.271 flat angles P-C4'-P energy: -76.507 tors. eta vs tors. theta energy: 0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -688.146435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.146435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.146435 (E_RNA) where: Base-Base interactions energy: -296.227 where: short stacking energy: -201.492 Base-Backbone interact. energy: -0.125 local terms energy: -391.794612 where: bonds (distance) C4'-P energy: -92.932 bonds (distance) P-C4' energy: -125.138 flat angles C4'-P-C4' energy: -132.343 flat angles P-C4'-P energy: -63.302 tors. eta vs tors. theta energy: 21.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2676.431076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.431076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.431076 (E_RNA) where: Base-Base interactions energy: -1801.742 where: short stacking energy: -800.377 Base-Backbone interact. energy: -2.690 local terms energy: -871.998578 where: bonds (distance) C4'-P energy: -167.361 bonds (distance) P-C4' energy: -155.762 flat angles C4'-P-C4' energy: -182.459 flat angles P-C4'-P energy: -127.153 tors. eta vs tors. theta energy: -239.263 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: 8 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2543.441531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.441531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.441531 (E_RNA) where: Base-Base interactions energy: -1745.153 where: short stacking energy: -715.275 Base-Backbone interact. energy: -5.767 local terms energy: -792.522037 where: bonds (distance) C4'-P energy: -146.796 bonds (distance) P-C4' energy: -166.045 flat angles C4'-P-C4' energy: -179.303 flat angles P-C4'-P energy: -113.410 tors. eta vs tors. theta energy: -186.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2278.261377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.261377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.261377 (E_RNA) where: Base-Base interactions energy: -1512.381 where: short stacking energy: -639.462 Base-Backbone interact. energy: -0.827 local terms energy: -765.053192 where: bonds (distance) C4'-P energy: -168.575 bonds (distance) P-C4' energy: -166.493 flat angles C4'-P-C4' energy: -155.730 flat angles P-C4'-P energy: -104.469 tors. eta vs tors. theta energy: -169.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2221.541329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.541329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.541329 (E_RNA) where: Base-Base interactions energy: -1474.517 where: short stacking energy: -619.224 Base-Backbone interact. energy: -1.638 local terms energy: -745.386669 where: bonds (distance) C4'-P energy: -156.861 bonds (distance) P-C4' energy: -165.210 flat angles C4'-P-C4' energy: -173.679 flat angles P-C4'-P energy: -86.939 tors. eta vs tors. theta energy: -162.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2045.104925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.104925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.104925 (E_RNA) where: Base-Base interactions energy: -1347.684 where: short stacking energy: -585.133 Base-Backbone interact. energy: -6.133 local terms energy: -691.288197 where: bonds (distance) C4'-P energy: -134.920 bonds (distance) P-C4' energy: -143.638 flat angles C4'-P-C4' energy: -160.046 flat angles P-C4'-P energy: -92.430 tors. eta vs tors. theta energy: -160.254 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: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1815.103967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.103967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.103967 (E_RNA) where: Base-Base interactions energy: -1170.079 where: short stacking energy: -540.459 Base-Backbone interact. energy: 3.024 local terms energy: -648.049723 where: bonds (distance) C4'-P energy: -133.078 bonds (distance) P-C4' energy: -148.329 flat angles C4'-P-C4' energy: -144.963 flat angles P-C4'-P energy: -99.257 tors. eta vs tors. theta energy: -122.423 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: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1439.078508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.078508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.078508 (E_RNA) where: Base-Base interactions energy: -883.825 where: short stacking energy: -403.788 Base-Backbone interact. energy: -1.505 local terms energy: -553.748202 where: bonds (distance) C4'-P energy: -144.649 bonds (distance) P-C4' energy: -146.924 flat angles C4'-P-C4' energy: -139.157 flat angles P-C4'-P energy: -75.199 tors. eta vs tors. theta energy: -47.819 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: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1437.493650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.493650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.493650 (E_RNA) where: Base-Base interactions energy: -861.242 where: short stacking energy: -399.178 Base-Backbone interact. energy: -2.579 local terms energy: -573.672681 where: bonds (distance) C4'-P energy: -148.799 bonds (distance) P-C4' energy: -147.725 flat angles C4'-P-C4' energy: -125.464 flat angles P-C4'-P energy: -75.797 tors. eta vs tors. theta energy: -75.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -860.826820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.826820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.826820 (E_RNA) where: Base-Base interactions energy: -370.958 where: short stacking energy: -234.542 Base-Backbone interact. energy: -2.103 local terms energy: -487.765731 where: bonds (distance) C4'-P energy: -157.134 bonds (distance) P-C4' energy: -137.986 flat angles C4'-P-C4' energy: -113.988 flat angles P-C4'-P energy: -81.275 tors. eta vs tors. theta energy: 2.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -668.107687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.107687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.107687 (E_RNA) where: Base-Base interactions energy: -272.628 where: short stacking energy: -194.987 Base-Backbone interact. energy: -1.200 local terms energy: -394.279834 where: bonds (distance) C4'-P energy: -104.489 bonds (distance) P-C4' energy: -148.579 flat angles C4'-P-C4' energy: -99.487 flat angles P-C4'-P energy: -68.773 tors. eta vs tors. theta energy: 27.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2669.769757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.769757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.769757 (E_RNA) where: Base-Base interactions energy: -1772.396 where: short stacking energy: -819.461 Base-Backbone interact. energy: -8.058 local terms energy: -889.315288 where: bonds (distance) C4'-P energy: -168.116 bonds (distance) P-C4' energy: -162.642 flat angles C4'-P-C4' energy: -192.906 flat angles P-C4'-P energy: -124.635 tors. eta vs tors. theta energy: -241.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2512.048206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.048206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.048206 (E_RNA) where: Base-Base interactions energy: -1716.554 where: short stacking energy: -699.258 Base-Backbone interact. energy: -5.787 local terms energy: -789.707193 where: bonds (distance) C4'-P energy: -144.509 bonds (distance) P-C4' energy: -155.736 flat angles C4'-P-C4' energy: -177.412 flat angles P-C4'-P energy: -123.103 tors. eta vs tors. theta energy: -188.948 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: 3 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2273.844278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.844278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.844278 (E_RNA) where: Base-Base interactions energy: -1506.715 where: short stacking energy: -625.722 Base-Backbone interact. energy: -4.630 local terms energy: -762.499116 where: bonds (distance) C4'-P energy: -151.240 bonds (distance) P-C4' energy: -167.506 flat angles C4'-P-C4' energy: -168.047 flat angles P-C4'-P energy: -118.943 tors. eta vs tors. theta energy: -156.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2212.057680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.057680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.057680 (E_RNA) where: Base-Base interactions energy: -1438.671 where: short stacking energy: -626.752 Base-Backbone interact. energy: -2.556 local terms energy: -770.830445 where: bonds (distance) C4'-P energy: -149.825 bonds (distance) P-C4' energy: -154.459 flat angles C4'-P-C4' energy: -167.385 flat angles P-C4'-P energy: -123.828 tors. eta vs tors. theta energy: -175.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2016.997791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.997791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.997791 (E_RNA) where: Base-Base interactions energy: -1322.956 where: short stacking energy: -603.009 Base-Backbone interact. energy: -0.220 local terms energy: -693.821655 where: bonds (distance) C4'-P energy: -142.080 bonds (distance) P-C4' energy: -139.102 flat angles C4'-P-C4' energy: -149.437 flat angles P-C4'-P energy: -101.536 tors. eta vs tors. theta energy: -161.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1876.569579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.569579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.569579 (E_RNA) where: Base-Base interactions energy: -1183.590 where: short stacking energy: -522.549 Base-Backbone interact. energy: -1.306 local terms energy: -691.674160 where: bonds (distance) C4'-P energy: -160.354 bonds (distance) P-C4' energy: -139.213 flat angles C4'-P-C4' energy: -164.401 flat angles P-C4'-P energy: -96.161 tors. eta vs tors. theta energy: -131.545 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: 4 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1547.820850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.820850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.820850 (E_RNA) where: Base-Base interactions energy: -941.604 where: short stacking energy: -449.572 Base-Backbone interact. energy: -1.967 local terms energy: -604.249310 where: bonds (distance) C4'-P energy: -147.023 bonds (distance) P-C4' energy: -137.929 flat angles C4'-P-C4' energy: -153.611 flat angles P-C4'-P energy: -84.341 tors. eta vs tors. theta energy: -81.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1420.802295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.802295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.802295 (E_RNA) where: Base-Base interactions energy: -842.427 where: short stacking energy: -379.626 Base-Backbone interact. energy: -3.996 local terms energy: -574.379179 where: bonds (distance) C4'-P energy: -140.454 bonds (distance) P-C4' energy: -153.419 flat angles C4'-P-C4' energy: -141.291 flat angles P-C4'-P energy: -74.032 tors. eta vs tors. theta energy: -65.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -841.721388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.721388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.721388 (E_RNA) where: Base-Base interactions energy: -422.104 where: short stacking energy: -242.103 Base-Backbone interact. energy: 1.508 local terms energy: -421.125289 where: bonds (distance) C4'-P energy: -110.121 bonds (distance) P-C4' energy: -136.232 flat angles C4'-P-C4' energy: -115.411 flat angles P-C4'-P energy: -65.941 tors. eta vs tors. theta energy: 6.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -682.612650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.612650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.612650 (E_RNA) where: Base-Base interactions energy: -266.433 where: short stacking energy: -187.862 Base-Backbone interact. energy: -1.803 local terms energy: -414.377380 where: bonds (distance) C4'-P energy: -126.693 bonds (distance) P-C4' energy: -133.960 flat angles C4'-P-C4' energy: -100.060 flat angles P-C4'-P energy: -66.631 tors. eta vs tors. theta energy: 12.966 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: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2650.858644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.858644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.858644 (E_RNA) where: Base-Base interactions energy: -1783.156 where: short stacking energy: -791.465 Base-Backbone interact. energy: 0.278 local terms energy: -867.980560 where: bonds (distance) C4'-P energy: -172.978 bonds (distance) P-C4' energy: -159.602 flat angles C4'-P-C4' energy: -184.272 flat angles P-C4'-P energy: -132.434 tors. eta vs tors. theta energy: -218.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2561.853048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.853048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.853048 (E_RNA) where: Base-Base interactions energy: -1743.406 where: short stacking energy: -756.835 Base-Backbone interact. energy: -2.239 local terms energy: -816.208225 where: bonds (distance) C4'-P energy: -161.109 bonds (distance) P-C4' energy: -161.259 flat angles C4'-P-C4' energy: -174.307 flat angles P-C4'-P energy: -104.739 tors. eta vs tors. theta energy: -214.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2278.242596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.242596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.242596 (E_RNA) where: Base-Base interactions energy: -1532.421 where: short stacking energy: -668.240 Base-Backbone interact. energy: -3.062 local terms energy: -742.759546 where: bonds (distance) C4'-P energy: -146.725 bonds (distance) P-C4' energy: -169.375 flat angles C4'-P-C4' energy: -158.265 flat angles P-C4'-P energy: -98.342 tors. eta vs tors. theta energy: -170.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2187.748300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.748300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.748300 (E_RNA) where: Base-Base interactions energy: -1459.972 where: short stacking energy: -636.348 Base-Backbone interact. energy: -4.900 local terms energy: -722.876496 where: bonds (distance) C4'-P energy: -122.673 bonds (distance) P-C4' energy: -158.717 flat angles C4'-P-C4' energy: -170.382 flat angles P-C4'-P energy: -115.039 tors. eta vs tors. theta energy: -156.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2043.759741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.759741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.759741 (E_RNA) where: Base-Base interactions energy: -1302.797 where: short stacking energy: -600.636 Base-Backbone interact. energy: -1.223 local terms energy: -739.740486 where: bonds (distance) C4'-P energy: -143.112 bonds (distance) P-C4' energy: -150.490 flat angles C4'-P-C4' energy: -175.195 flat angles P-C4'-P energy: -113.944 tors. eta vs tors. theta energy: -156.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1840.621230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.621230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.621230 (E_RNA) where: Base-Base interactions energy: -1193.368 where: short stacking energy: -502.267 Base-Backbone interact. energy: 1.855 local terms energy: -649.108558 where: bonds (distance) C4'-P energy: -137.211 bonds (distance) P-C4' energy: -159.550 flat angles C4'-P-C4' energy: -152.403 flat angles P-C4'-P energy: -78.064 tors. eta vs tors. theta energy: -121.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1613.732478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.732478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.732478 (E_RNA) where: Base-Base interactions energy: -1013.001 where: short stacking energy: -451.306 Base-Backbone interact. energy: -2.780 local terms energy: -597.951141 where: bonds (distance) C4'-P energy: -128.165 bonds (distance) P-C4' energy: -162.077 flat angles C4'-P-C4' energy: -135.679 flat angles P-C4'-P energy: -86.385 tors. eta vs tors. theta energy: -85.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1366.135457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.135457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.135457 (E_RNA) where: Base-Base interactions energy: -787.483 where: short stacking energy: -346.389 Base-Backbone interact. energy: -0.470 local terms energy: -578.183000 where: bonds (distance) C4'-P energy: -143.691 bonds (distance) P-C4' energy: -147.496 flat angles C4'-P-C4' energy: -144.150 flat angles P-C4'-P energy: -93.280 tors. eta vs tors. theta energy: -49.565 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: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -825.003662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.003662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.003662 (E_RNA) where: Base-Base interactions energy: -373.747 where: short stacking energy: -256.941 Base-Backbone interact. energy: -1.255 local terms energy: -450.001048 where: bonds (distance) C4'-P energy: -135.817 bonds (distance) P-C4' energy: -122.932 flat angles C4'-P-C4' energy: -128.808 flat angles P-C4'-P energy: -85.873 tors. eta vs tors. theta energy: 23.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -660.691162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.691162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.691162 (E_RNA) where: Base-Base interactions energy: -278.892 where: short stacking energy: -193.757 Base-Backbone interact. energy: 9.919 local terms energy: -391.718147 where: bonds (distance) C4'-P energy: -122.955 bonds (distance) P-C4' energy: -157.032 flat angles C4'-P-C4' energy: -101.790 flat angles P-C4'-P energy: -34.912 tors. eta vs tors. theta energy: 24.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2640.350644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.350644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.350644 (E_RNA) where: Base-Base interactions energy: -1787.841 where: short stacking energy: -790.516 Base-Backbone interact. energy: -3.230 local terms energy: -849.279672 where: bonds (distance) C4'-P energy: -157.916 bonds (distance) P-C4' energy: -154.175 flat angles C4'-P-C4' energy: -188.089 flat angles P-C4'-P energy: -130.020 tors. eta vs tors. theta energy: -219.081 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: 78 Temperature: 0.950000 Total energy: -2517.714296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.714296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.714296 (E_RNA) where: Base-Base interactions energy: -1730.521 where: short stacking energy: -724.381 Base-Backbone interact. energy: -1.453 local terms energy: -785.740407 where: bonds (distance) C4'-P energy: -152.347 bonds (distance) P-C4' energy: -151.565 flat angles C4'-P-C4' energy: -172.461 flat angles P-C4'-P energy: -109.186 tors. eta vs tors. theta energy: -200.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2293.874719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.874719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.874719 (E_RNA) where: Base-Base interactions energy: -1500.173 where: short stacking energy: -673.545 Base-Backbone interact. energy: -2.378 local terms energy: -791.324198 where: bonds (distance) C4'-P energy: -166.934 bonds (distance) P-C4' energy: -165.179 flat angles C4'-P-C4' energy: -169.170 flat angles P-C4'-P energy: -107.049 tors. eta vs tors. theta energy: -182.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2243.861254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.861254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.861254 (E_RNA) where: Base-Base interactions energy: -1478.897 where: short stacking energy: -656.595 Base-Backbone interact. energy: -3.166 local terms energy: -761.798671 where: bonds (distance) C4'-P energy: -154.477 bonds (distance) P-C4' energy: -165.447 flat angles C4'-P-C4' energy: -162.650 flat angles P-C4'-P energy: -108.964 tors. eta vs tors. theta energy: -170.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1949.636901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.636901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.636901 (E_RNA) where: Base-Base interactions energy: -1303.980 where: short stacking energy: -571.114 Base-Backbone interact. energy: 4.346 local terms energy: -650.002655 where: bonds (distance) C4'-P energy: -141.252 bonds (distance) P-C4' energy: -145.586 flat angles C4'-P-C4' energy: -130.451 flat angles P-C4'-P energy: -109.559 tors. eta vs tors. theta energy: -123.154 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: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1860.713627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.713627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.713627 (E_RNA) where: Base-Base interactions energy: -1197.098 where: short stacking energy: -542.446 Base-Backbone interact. energy: -0.225 local terms energy: -663.390423 where: bonds (distance) C4'-P energy: -136.400 bonds (distance) P-C4' energy: -145.508 flat angles C4'-P-C4' energy: -149.637 flat angles P-C4'-P energy: -107.229 tors. eta vs tors. theta energy: -124.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1622.178875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.178875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.178875 (E_RNA) where: Base-Base interactions energy: -1006.165 where: short stacking energy: -458.769 Base-Backbone interact. energy: -1.424 local terms energy: -614.589233 where: bonds (distance) C4'-P energy: -127.830 bonds (distance) P-C4' energy: -149.323 flat angles C4'-P-C4' energy: -157.736 flat angles P-C4'-P energy: -80.819 tors. eta vs tors. theta energy: -98.880 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: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1325.289714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.289714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.289714 (E_RNA) where: Base-Base interactions energy: -826.188 where: short stacking energy: -380.759 Base-Backbone interact. energy: 2.487 local terms energy: -501.588640 where: bonds (distance) C4'-P energy: -112.705 bonds (distance) P-C4' energy: -136.025 flat angles C4'-P-C4' energy: -136.110 flat angles P-C4'-P energy: -77.908 tors. eta vs tors. theta energy: -38.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -798.585231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.585231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.585231 (E_RNA) where: Base-Base interactions energy: -363.229 where: short stacking energy: -221.559 Base-Backbone interact. energy: 1.651 local terms energy: -437.007074 where: bonds (distance) C4'-P energy: -125.338 bonds (distance) P-C4' energy: -115.939 flat angles C4'-P-C4' energy: -135.747 flat angles P-C4'-P energy: -78.749 tors. eta vs tors. theta energy: 18.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -670.170399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.170399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.170399 (E_RNA) where: Base-Base interactions energy: -246.110 where: short stacking energy: -158.919 Base-Backbone interact. energy: -1.746 local terms energy: -422.314491 where: bonds (distance) C4'-P energy: -145.711 bonds (distance) P-C4' energy: -114.072 flat angles C4'-P-C4' energy: -110.100 flat angles P-C4'-P energy: -80.496 tors. eta vs tors. theta energy: 28.065 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: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2666.682625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.682625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.682625 (E_RNA) where: Base-Base interactions energy: -1792.551 where: short stacking energy: -817.077 Base-Backbone interact. energy: -7.315 local terms energy: -866.816432 where: bonds (distance) C4'-P energy: -165.814 bonds (distance) P-C4' energy: -153.196 flat angles C4'-P-C4' energy: -186.025 flat angles P-C4'-P energy: -120.841 tors. eta vs tors. theta energy: -240.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2526.934976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.934976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.934976 (E_RNA) where: Base-Base interactions energy: -1711.805 where: short stacking energy: -715.299 Base-Backbone interact. energy: -3.836 local terms energy: -811.294177 where: bonds (distance) C4'-P energy: -161.410 bonds (distance) P-C4' energy: -160.055 flat angles C4'-P-C4' energy: -172.844 flat angles P-C4'-P energy: -109.928 tors. eta vs tors. theta energy: -207.057 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: 3 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2283.836173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.836173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.836173 (E_RNA) where: Base-Base interactions energy: -1518.609 where: short stacking energy: -663.784 Base-Backbone interact. energy: -0.577 local terms energy: -764.650033 where: bonds (distance) C4'-P energy: -168.573 bonds (distance) P-C4' energy: -139.193 flat angles C4'-P-C4' energy: -180.966 flat angles P-C4'-P energy: -102.410 tors. eta vs tors. theta energy: -173.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2280.678479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.678479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.678479 (E_RNA) where: Base-Base interactions energy: -1510.078 where: short stacking energy: -664.402 Base-Backbone interact. energy: 0.384 local terms energy: -770.983966 where: bonds (distance) C4'-P energy: -156.740 bonds (distance) P-C4' energy: -159.030 flat angles C4'-P-C4' energy: -173.807 flat angles P-C4'-P energy: -114.087 tors. eta vs tors. theta energy: -167.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2020.671112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.671112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.671112 (E_RNA) where: Base-Base interactions energy: -1303.818 where: short stacking energy: -597.056 Base-Backbone interact. energy: -2.555 local terms energy: -714.297466 where: bonds (distance) C4'-P energy: -142.225 bonds (distance) P-C4' energy: -149.805 flat angles C4'-P-C4' energy: -165.170 flat angles P-C4'-P energy: -108.852 tors. eta vs tors. theta energy: -148.246 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: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1849.552059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.552059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.552059 (E_RNA) where: Base-Base interactions energy: -1200.812 where: short stacking energy: -558.296 Base-Backbone interact. energy: -0.798 local terms energy: -647.941805 where: bonds (distance) C4'-P energy: -151.622 bonds (distance) P-C4' energy: -145.028 flat angles C4'-P-C4' energy: -142.507 flat angles P-C4'-P energy: -80.934 tors. eta vs tors. theta energy: -127.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1630.235190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.235190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.235190 (E_RNA) where: Base-Base interactions energy: -1035.308 where: short stacking energy: -478.093 Base-Backbone interact. energy: -0.758 local terms energy: -594.168578 where: bonds (distance) C4'-P energy: -124.805 bonds (distance) P-C4' energy: -147.602 flat angles C4'-P-C4' energy: -149.659 flat angles P-C4'-P energy: -72.986 tors. eta vs tors. theta energy: -99.117 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: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1266.072806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.072806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.072806 (E_RNA) where: Base-Base interactions energy: -737.953 where: short stacking energy: -362.970 Base-Backbone interact. energy: 7.446 local terms energy: -535.565553 where: bonds (distance) C4'-P energy: -149.220 bonds (distance) P-C4' energy: -145.454 flat angles C4'-P-C4' energy: -122.997 flat angles P-C4'-P energy: -65.988 tors. eta vs tors. theta energy: -51.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -841.863891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.863891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.863891 (E_RNA) where: Base-Base interactions energy: -360.435 where: short stacking energy: -208.113 Base-Backbone interact. energy: -0.256 local terms energy: -481.173106 where: bonds (distance) C4'-P energy: -133.262 bonds (distance) P-C4' energy: -155.725 flat angles C4'-P-C4' energy: -113.654 flat angles P-C4'-P energy: -74.755 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -683.121044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.121044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.121044 (E_RNA) where: Base-Base interactions energy: -243.487 where: short stacking energy: -177.148 Base-Backbone interact. energy: -0.353 local terms energy: -439.281006 where: bonds (distance) C4'-P energy: -135.081 bonds (distance) P-C4' energy: -146.037 flat angles C4'-P-C4' energy: -121.473 flat angles P-C4'-P energy: -57.179 tors. eta vs tors. theta energy: 20.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2698.106153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.106153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.106153 (E_RNA) where: Base-Base interactions energy: -1786.570 where: short stacking energy: -804.688 Base-Backbone interact. energy: -3.635 local terms energy: -907.900842 where: bonds (distance) C4'-P energy: -161.787 bonds (distance) P-C4' energy: -171.778 flat angles C4'-P-C4' energy: -204.410 flat angles P-C4'-P energy: -123.024 tors. eta vs tors. theta energy: -246.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2554.120025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.120025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.120025 (E_RNA) where: Base-Base interactions energy: -1734.620 where: short stacking energy: -761.456 Base-Backbone interact. energy: -1.426 local terms energy: -818.074172 where: bonds (distance) C4'-P energy: -163.459 bonds (distance) P-C4' energy: -161.442 flat angles C4'-P-C4' energy: -170.530 flat angles P-C4'-P energy: -113.844 tors. eta vs tors. theta energy: -208.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2289.809106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.809106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.809106 (E_RNA) where: Base-Base interactions energy: -1533.067 where: short stacking energy: -684.063 Base-Backbone interact. energy: -4.931 local terms energy: -751.810632 where: bonds (distance) C4'-P energy: -149.778 bonds (distance) P-C4' energy: -145.642 flat angles C4'-P-C4' energy: -164.399 flat angles P-C4'-P energy: -107.315 tors. eta vs tors. theta energy: -184.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2257.147555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.147555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.147555 (E_RNA) where: Base-Base interactions energy: -1521.450 where: short stacking energy: -636.680 Base-Backbone interact. energy: -2.620 local terms energy: -733.077628 where: bonds (distance) C4'-P energy: -138.399 bonds (distance) P-C4' energy: -142.220 flat angles C4'-P-C4' energy: -176.673 flat angles P-C4'-P energy: -101.253 tors. eta vs tors. theta energy: -174.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2090.865761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.865761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.865761 (E_RNA) where: Base-Base interactions energy: -1323.517 where: short stacking energy: -613.989 Base-Backbone interact. energy: -3.053 local terms energy: -764.295722 where: bonds (distance) C4'-P energy: -159.519 bonds (distance) P-C4' energy: -156.175 flat angles C4'-P-C4' energy: -164.810 flat angles P-C4'-P energy: -117.539 tors. eta vs tors. theta energy: -166.253 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: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1803.818803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.818803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.818803 (E_RNA) where: Base-Base interactions energy: -1179.321 where: short stacking energy: -531.652 Base-Backbone interact. energy: 7.299 local terms energy: -631.797298 where: bonds (distance) C4'-P energy: -145.587 bonds (distance) P-C4' energy: -141.201 flat angles C4'-P-C4' energy: -136.202 flat angles P-C4'-P energy: -70.066 tors. eta vs tors. theta energy: -138.741 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: 7, replica: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1579.298567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.298567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.298567 (E_RNA) where: Base-Base interactions energy: -1005.327 where: short stacking energy: -437.117 Base-Backbone interact. energy: -4.175 local terms energy: -569.796611 where: bonds (distance) C4'-P energy: -121.262 bonds (distance) P-C4' energy: -138.521 flat angles C4'-P-C4' energy: -126.289 flat angles P-C4'-P energy: -95.178 tors. eta vs tors. theta energy: -88.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1347.599650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.599650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.599650 (E_RNA) where: Base-Base interactions energy: -802.894 where: short stacking energy: -382.661 Base-Backbone interact. energy: 1.142 local terms energy: -545.847181 where: bonds (distance) C4'-P energy: -129.022 bonds (distance) P-C4' energy: -138.890 flat angles C4'-P-C4' energy: -146.491 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -64.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -896.703463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.703463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.703463 (E_RNA) where: Base-Base interactions energy: -451.205 where: short stacking energy: -253.998 Base-Backbone interact. energy: 1.571 local terms energy: -447.069766 where: bonds (distance) C4'-P energy: -130.695 bonds (distance) P-C4' energy: -142.641 flat angles C4'-P-C4' energy: -112.502 flat angles P-C4'-P energy: -65.557 tors. eta vs tors. theta energy: 4.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -725.804397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.804397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.804397 (E_RNA) where: Base-Base interactions energy: -319.614 where: short stacking energy: -192.280 Base-Backbone interact. energy: -2.254 local terms energy: -403.936304 where: bonds (distance) C4'-P energy: -113.314 bonds (distance) P-C4' energy: -148.853 flat angles C4'-P-C4' energy: -113.060 flat angles P-C4'-P energy: -43.810 tors. eta vs tors. theta energy: 15.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2635.424306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.424306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.424306 (E_RNA) where: Base-Base interactions energy: -1760.879 where: short stacking energy: -780.915 Base-Backbone interact. energy: -2.685 local terms energy: -871.860381 where: bonds (distance) C4'-P energy: -161.303 bonds (distance) P-C4' energy: -156.984 flat angles C4'-P-C4' energy: -188.733 flat angles P-C4'-P energy: -141.630 tors. eta vs tors. theta energy: -223.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2503.706526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.706526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.706526 (E_RNA) where: Base-Base interactions energy: -1698.588 where: short stacking energy: -743.379 Base-Backbone interact. energy: -3.377 local terms energy: -801.740971 where: bonds (distance) C4'-P energy: -164.846 bonds (distance) P-C4' energy: -157.745 flat angles C4'-P-C4' energy: -168.369 flat angles P-C4'-P energy: -106.287 tors. eta vs tors. theta energy: -204.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2346.400369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.400369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.400369 (E_RNA) where: Base-Base interactions energy: -1570.164 where: short stacking energy: -690.727 Base-Backbone interact. energy: -5.977 local terms energy: -770.259872 where: bonds (distance) C4'-P energy: -154.571 bonds (distance) P-C4' energy: -156.786 flat angles C4'-P-C4' energy: -167.611 flat angles P-C4'-P energy: -102.656 tors. eta vs tors. theta energy: -188.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2297.777155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.777155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.777155 (E_RNA) where: Base-Base interactions energy: -1544.882 where: short stacking energy: -639.272 Base-Backbone interact. energy: -3.417 local terms energy: -749.478617 where: bonds (distance) C4'-P energy: -165.670 bonds (distance) P-C4' energy: -144.210 flat angles C4'-P-C4' energy: -156.114 flat angles P-C4'-P energy: -111.212 tors. eta vs tors. theta energy: -172.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2086.858932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.858932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.858932 (E_RNA) where: Base-Base interactions energy: -1361.420 where: short stacking energy: -635.286 Base-Backbone interact. energy: -5.263 local terms energy: -720.175587 where: bonds (distance) C4'-P energy: -152.125 bonds (distance) P-C4' energy: -141.821 flat angles C4'-P-C4' energy: -158.993 flat angles P-C4'-P energy: -117.109 tors. eta vs tors. theta energy: -150.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1833.223095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.223095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.223095 (E_RNA) where: Base-Base interactions energy: -1181.302 where: short stacking energy: -547.831 Base-Backbone interact. energy: 0.665 local terms energy: -652.586819 where: bonds (distance) C4'-P energy: -134.332 bonds (distance) P-C4' energy: -138.977 flat angles C4'-P-C4' energy: -165.516 flat angles P-C4'-P energy: -89.932 tors. eta vs tors. theta energy: -123.831 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: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1571.610754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.610754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.610754 (E_RNA) where: Base-Base interactions energy: -1000.914 where: short stacking energy: -436.371 Base-Backbone interact. energy: 4.956 local terms energy: -575.653087 where: bonds (distance) C4'-P energy: -134.251 bonds (distance) P-C4' energy: -139.382 flat angles C4'-P-C4' energy: -140.314 flat angles P-C4'-P energy: -82.845 tors. eta vs tors. theta energy: -78.862 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: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1363.784131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.784131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.784131 (E_RNA) where: Base-Base interactions energy: -797.182 where: short stacking energy: -387.910 Base-Backbone interact. energy: -1.153 local terms energy: -565.448743 where: bonds (distance) C4'-P energy: -150.316 bonds (distance) P-C4' energy: -142.619 flat angles C4'-P-C4' energy: -99.374 flat angles P-C4'-P energy: -90.755 tors. eta vs tors. theta energy: -82.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -804.482734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.482734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.482734 (E_RNA) where: Base-Base interactions energy: -350.066 where: short stacking energy: -229.335 Base-Backbone interact. energy: 1.416 local terms energy: -455.832120 where: bonds (distance) C4'-P energy: -138.133 bonds (distance) P-C4' energy: -151.238 flat angles C4'-P-C4' energy: -114.881 flat angles P-C4'-P energy: -61.802 tors. eta vs tors. theta energy: 10.221 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: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -759.165257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.165257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.165257 (E_RNA) where: Base-Base interactions energy: -332.136 where: short stacking energy: -226.759 Base-Backbone interact. energy: 5.581 local terms energy: -432.610496 where: bonds (distance) C4'-P energy: -122.218 bonds (distance) P-C4' energy: -132.690 flat angles C4'-P-C4' energy: -125.072 flat angles P-C4'-P energy: -55.756 tors. eta vs tors. theta energy: 3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2643.405681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.405681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.405681 (E_RNA) where: Base-Base interactions energy: -1787.690 where: short stacking energy: -779.376 Base-Backbone interact. energy: -3.605 local terms energy: -852.110366 where: bonds (distance) C4'-P energy: -165.891 bonds (distance) P-C4' energy: -156.209 flat angles C4'-P-C4' energy: -184.698 flat angles P-C4'-P energy: -121.578 tors. eta vs tors. theta energy: -223.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2516.941268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.941268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.941268 (E_RNA) where: Base-Base interactions energy: -1692.620 where: short stacking energy: -750.735 Base-Backbone interact. energy: -0.677 local terms energy: -823.644281 where: bonds (distance) C4'-P energy: -164.586 bonds (distance) P-C4' energy: -166.518 flat angles C4'-P-C4' energy: -167.354 flat angles P-C4'-P energy: -120.844 tors. eta vs tors. theta energy: -204.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2400.418724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.418724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.418724 (E_RNA) where: Base-Base interactions energy: -1626.105 where: short stacking energy: -668.711 Base-Backbone interact. energy: -3.809 local terms energy: -770.504883 where: bonds (distance) C4'-P energy: -146.828 bonds (distance) P-C4' energy: -151.523 flat angles C4'-P-C4' energy: -163.169 flat angles P-C4'-P energy: -114.108 tors. eta vs tors. theta energy: -194.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2176.881491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.881491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.881491 (E_RNA) where: Base-Base interactions energy: -1484.162 where: short stacking energy: -590.316 Base-Backbone interact. energy: -4.982 local terms energy: -687.737332 where: bonds (distance) C4'-P energy: -138.985 bonds (distance) P-C4' energy: -153.243 flat angles C4'-P-C4' energy: -150.201 flat angles P-C4'-P energy: -95.170 tors. eta vs tors. theta energy: -150.138 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: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2109.678111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.678111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.678111 (E_RNA) where: Base-Base interactions energy: -1384.276 where: short stacking energy: -633.828 Base-Backbone interact. energy: -4.337 local terms energy: -721.064370 where: bonds (distance) C4'-P energy: -144.696 bonds (distance) P-C4' energy: -152.100 flat angles C4'-P-C4' energy: -156.276 flat angles P-C4'-P energy: -92.949 tors. eta vs tors. theta energy: -175.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1817.635951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.635951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.635951 (E_RNA) where: Base-Base interactions energy: -1177.128 where: short stacking energy: -534.762 Base-Backbone interact. energy: 4.215 local terms energy: -644.723337 where: bonds (distance) C4'-P energy: -125.768 bonds (distance) P-C4' energy: -149.029 flat angles C4'-P-C4' energy: -150.472 flat angles P-C4'-P energy: -95.627 tors. eta vs tors. theta energy: -123.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1697.816158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.816158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.816158 (E_RNA) where: Base-Base interactions energy: -1045.411 where: short stacking energy: -482.214 Base-Backbone interact. energy: -1.504 local terms energy: -650.901595 where: bonds (distance) C4'-P energy: -130.268 bonds (distance) P-C4' energy: -154.686 flat angles C4'-P-C4' energy: -159.889 flat angles P-C4'-P energy: -102.530 tors. eta vs tors. theta energy: -103.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1345.049105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.049105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.049105 (E_RNA) where: Base-Base interactions energy: -770.139 where: short stacking energy: -357.979 Base-Backbone interact. energy: 0.573 local terms energy: -575.483060 where: bonds (distance) C4'-P energy: -125.919 bonds (distance) P-C4' energy: -153.873 flat angles C4'-P-C4' energy: -157.083 flat angles P-C4'-P energy: -80.499 tors. eta vs tors. theta energy: -58.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -882.691770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.691770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.691770 (E_RNA) where: Base-Base interactions energy: -417.794 where: short stacking energy: -224.079 Base-Backbone interact. energy: 4.216 local terms energy: -469.113419 where: bonds (distance) C4'-P energy: -130.346 bonds (distance) P-C4' energy: -148.583 flat angles C4'-P-C4' energy: -101.491 flat angles P-C4'-P energy: -91.878 tors. eta vs tors. theta energy: 3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -777.177603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.177603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.177603 (E_RNA) where: Base-Base interactions energy: -323.118 where: short stacking energy: -207.443 Base-Backbone interact. energy: -6.372 local terms energy: -447.687287 where: bonds (distance) C4'-P energy: -132.275 bonds (distance) P-C4' energy: -133.182 flat angles C4'-P-C4' energy: -122.557 flat angles P-C4'-P energy: -67.723 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: 9 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2674.240561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.240561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.240561 (E_RNA) where: Base-Base interactions energy: -1802.611 where: short stacking energy: -839.378 Base-Backbone interact. energy: -3.110 local terms energy: -868.519213 where: bonds (distance) C4'-P energy: -163.816 bonds (distance) P-C4' energy: -159.707 flat angles C4'-P-C4' energy: -184.851 flat angles P-C4'-P energy: -124.594 tors. eta vs tors. theta energy: -235.551 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: 83 Temperature: 0.950000 Total energy: -2522.711250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.711250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.711250 (E_RNA) where: Base-Base interactions energy: -1721.788 where: short stacking energy: -719.926 Base-Backbone interact. energy: -6.095 local terms energy: -794.827937 where: bonds (distance) C4'-P energy: -152.997 bonds (distance) P-C4' energy: -168.547 flat angles C4'-P-C4' energy: -168.771 flat angles P-C4'-P energy: -113.510 tors. eta vs tors. theta energy: -191.003 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: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2451.029255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.029255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.029255 (E_RNA) where: Base-Base interactions energy: -1647.199 where: short stacking energy: -712.493 Base-Backbone interact. energy: -0.811 local terms energy: -803.018891 where: bonds (distance) C4'-P energy: -140.058 bonds (distance) P-C4' energy: -152.670 flat angles C4'-P-C4' energy: -192.525 flat angles P-C4'-P energy: -120.325 tors. eta vs tors. theta energy: -197.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2244.348391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.348391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.348391 (E_RNA) where: Base-Base interactions energy: -1505.625 where: short stacking energy: -673.874 Base-Backbone interact. energy: -0.896 local terms energy: -737.827807 where: bonds (distance) C4'-P energy: -156.199 bonds (distance) P-C4' energy: -146.234 flat angles C4'-P-C4' energy: -145.734 flat angles P-C4'-P energy: -102.449 tors. eta vs tors. theta energy: -187.212 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: 5, replica: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2068.694670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.694670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.694670 (E_RNA) where: Base-Base interactions energy: -1356.143 where: short stacking energy: -629.396 Base-Backbone interact. energy: 2.790 local terms energy: -715.341046 where: bonds (distance) C4'-P energy: -120.307 bonds (distance) P-C4' energy: -143.884 flat angles C4'-P-C4' energy: -173.491 flat angles P-C4'-P energy: -102.931 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: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1890.437013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.437013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.437013 (E_RNA) where: Base-Base interactions energy: -1244.645 where: short stacking energy: -562.168 Base-Backbone interact. energy: -1.916 local terms energy: -643.875642 where: bonds (distance) C4'-P energy: -131.573 bonds (distance) P-C4' energy: -131.836 flat angles C4'-P-C4' energy: -156.023 flat angles P-C4'-P energy: -80.772 tors. eta vs tors. theta energy: -143.672 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: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1713.233388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.233388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.233388 (E_RNA) where: Base-Base interactions energy: -1073.920 where: short stacking energy: -456.561 Base-Backbone interact. energy: -1.200 local terms energy: -638.113592 where: bonds (distance) C4'-P energy: -150.324 bonds (distance) P-C4' energy: -140.541 flat angles C4'-P-C4' energy: -152.988 flat angles P-C4'-P energy: -94.297 tors. eta vs tors. theta energy: -99.963 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: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1335.442936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.442936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.442936 (E_RNA) where: Base-Base interactions energy: -779.344 where: short stacking energy: -364.121 Base-Backbone interact. energy: 3.079 local terms energy: -559.178716 where: bonds (distance) C4'-P energy: -129.238 bonds (distance) P-C4' energy: -150.748 flat angles C4'-P-C4' energy: -149.825 flat angles P-C4'-P energy: -78.553 tors. eta vs tors. theta energy: -50.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -872.732942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.732942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.732942 (E_RNA) where: Base-Base interactions energy: -405.791 where: short stacking energy: -248.635 Base-Backbone interact. energy: 1.829 local terms energy: -468.770823 where: bonds (distance) C4'-P energy: -128.940 bonds (distance) P-C4' energy: -131.724 flat angles C4'-P-C4' energy: -131.408 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: -3.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -752.953091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.953091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.953091 (E_RNA) where: Base-Base interactions energy: -311.746 where: short stacking energy: -219.360 Base-Backbone interact. energy: 4.218 local terms energy: -445.424611 where: bonds (distance) C4'-P energy: -122.250 bonds (distance) P-C4' energy: -150.457 flat angles C4'-P-C4' energy: -115.847 flat angles P-C4'-P energy: -77.315 tors. eta vs tors. theta energy: 20.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2692.263796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.263796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.263796 (E_RNA) where: Base-Base interactions energy: -1803.903 where: short stacking energy: -816.970 Base-Backbone interact. energy: -2.527 local terms energy: -885.833890 where: bonds (distance) C4'-P energy: -172.517 bonds (distance) P-C4' energy: -160.905 flat angles C4'-P-C4' energy: -190.795 flat angles P-C4'-P energy: -123.506 tors. eta vs tors. theta energy: -238.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2542.757581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.757581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.757581 (E_RNA) where: Base-Base interactions energy: -1698.168 where: short stacking energy: -755.530 Base-Backbone interact. energy: 0.590 local terms energy: -845.179577 where: bonds (distance) C4'-P energy: -145.578 bonds (distance) P-C4' energy: -171.826 flat angles C4'-P-C4' energy: -192.623 flat angles P-C4'-P energy: -116.666 tors. eta vs tors. theta energy: -218.485 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: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2429.556862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.556862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.556862 (E_RNA) where: Base-Base interactions energy: -1637.180 where: short stacking energy: -690.569 Base-Backbone interact. energy: -4.305 local terms energy: -788.071479 where: bonds (distance) C4'-P energy: -158.793 bonds (distance) P-C4' energy: -146.969 flat angles C4'-P-C4' energy: -169.643 flat angles P-C4'-P energy: -110.763 tors. eta vs tors. theta energy: -201.903 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: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2180.214484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.214484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.214484 (E_RNA) where: Base-Base interactions energy: -1454.128 where: short stacking energy: -627.051 Base-Backbone interact. energy: -2.846 local terms energy: -723.240589 where: bonds (distance) C4'-P energy: -145.147 bonds (distance) P-C4' energy: -157.670 flat angles C4'-P-C4' energy: -163.740 flat angles P-C4'-P energy: -94.113 tors. eta vs tors. theta energy: -162.571 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: 84 Temperature: 1.100000 Total energy: -2036.957262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.957262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.957262 (E_RNA) where: Base-Base interactions energy: -1309.566 where: short stacking energy: -602.193 Base-Backbone interact. energy: -3.134 local terms energy: -724.257509 where: bonds (distance) C4'-P energy: -142.316 bonds (distance) P-C4' energy: -162.271 flat angles C4'-P-C4' energy: -146.422 flat angles P-C4'-P energy: -110.993 tors. eta vs tors. theta energy: -162.255 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: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1860.862211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.862211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.862211 (E_RNA) where: Base-Base interactions energy: -1198.341 where: short stacking energy: -533.056 Base-Backbone interact. energy: 1.686 local terms energy: -664.207619 where: bonds (distance) C4'-P energy: -137.543 bonds (distance) P-C4' energy: -156.037 flat angles C4'-P-C4' energy: -165.029 flat angles P-C4'-P energy: -81.520 tors. eta vs tors. theta energy: -124.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1747.581805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.581805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.581805 (E_RNA) where: Base-Base interactions energy: -1141.290 where: short stacking energy: -489.478 Base-Backbone interact. energy: 4.829 local terms energy: -611.120484 where: bonds (distance) C4'-P energy: -136.385 bonds (distance) P-C4' energy: -161.724 flat angles C4'-P-C4' energy: -133.948 flat angles P-C4'-P energy: -78.006 tors. eta vs tors. theta energy: -101.058 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: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1322.450859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.450859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.450859 (E_RNA) where: Base-Base interactions energy: -773.442 where: short stacking energy: -370.007 Base-Backbone interact. energy: 2.711 local terms energy: -551.719328 where: bonds (distance) C4'-P energy: -136.799 bonds (distance) P-C4' energy: -128.564 flat angles C4'-P-C4' energy: -151.603 flat angles P-C4'-P energy: -77.319 tors. eta vs tors. theta energy: -57.434 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: 10 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -824.851512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.851512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.851512 (E_RNA) where: Base-Base interactions energy: -355.313 where: short stacking energy: -233.849 Base-Backbone interact. energy: -3.384 local terms energy: -466.154027 where: bonds (distance) C4'-P energy: -110.499 bonds (distance) P-C4' energy: -145.428 flat angles C4'-P-C4' energy: -134.239 flat angles P-C4'-P energy: -80.351 tors. eta vs tors. theta energy: 4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -743.376823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.376823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.376823 (E_RNA) where: Base-Base interactions energy: -345.399 where: short stacking energy: -194.383 Base-Backbone interact. energy: 4.003 local terms energy: -401.981166 where: bonds (distance) C4'-P energy: -127.047 bonds (distance) P-C4' energy: -134.328 flat angles C4'-P-C4' energy: -100.463 flat angles P-C4'-P energy: -70.059 tors. eta vs tors. theta energy: 29.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2649.578112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.578112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.578112 (E_RNA) where: Base-Base interactions energy: -1795.965 where: short stacking energy: -794.998 Base-Backbone interact. energy: -4.227 local terms energy: -849.386640 where: bonds (distance) C4'-P energy: -158.423 bonds (distance) P-C4' energy: -175.329 flat angles C4'-P-C4' energy: -184.794 flat angles P-C4'-P energy: -113.972 tors. eta vs tors. theta energy: -216.869 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: 8 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2547.221512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.221512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.221512 (E_RNA) where: Base-Base interactions energy: -1742.915 where: short stacking energy: -755.095 Base-Backbone interact. energy: -3.921 local terms energy: -800.385582 where: bonds (distance) C4'-P energy: -158.054 bonds (distance) P-C4' energy: -142.156 flat angles C4'-P-C4' energy: -181.408 flat angles P-C4'-P energy: -117.640 tors. eta vs tors. theta energy: -201.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2394.442261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.442261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.442261 (E_RNA) where: Base-Base interactions energy: -1622.618 where: short stacking energy: -678.044 Base-Backbone interact. energy: -1.402 local terms energy: -770.422261 where: bonds (distance) C4'-P energy: -148.596 bonds (distance) P-C4' energy: -156.477 flat angles C4'-P-C4' energy: -181.651 flat angles P-C4'-P energy: -95.176 tors. eta vs tors. theta energy: -188.523 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: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2156.391529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.391529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.391529 (E_RNA) where: Base-Base interactions energy: -1433.594 where: short stacking energy: -633.446 Base-Backbone interact. energy: 0.445 local terms energy: -723.242375 where: bonds (distance) C4'-P energy: -143.963 bonds (distance) P-C4' energy: -158.527 flat angles C4'-P-C4' energy: -159.785 flat angles P-C4'-P energy: -106.265 tors. eta vs tors. theta energy: -154.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2031.714595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.714595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.714595 (E_RNA) where: Base-Base interactions energy: -1303.301 where: short stacking energy: -604.633 Base-Backbone interact. energy: -2.325 local terms energy: -726.088057 where: bonds (distance) C4'-P energy: -149.782 bonds (distance) P-C4' energy: -148.413 flat angles C4'-P-C4' energy: -164.614 flat angles P-C4'-P energy: -87.731 tors. eta vs tors. theta energy: -175.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1854.635519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.635519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.635519 (E_RNA) where: Base-Base interactions energy: -1195.447 where: short stacking energy: -561.392 Base-Backbone interact. energy: -1.868 local terms energy: -657.319770 where: bonds (distance) C4'-P energy: -145.890 bonds (distance) P-C4' energy: -147.836 flat angles C4'-P-C4' energy: -155.465 flat angles P-C4'-P energy: -82.629 tors. eta vs tors. theta energy: -125.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1679.819196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.819196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.819196 (E_RNA) where: Base-Base interactions energy: -1061.411 where: short stacking energy: -447.920 Base-Backbone interact. energy: -3.416 local terms energy: -614.992026 where: bonds (distance) C4'-P energy: -128.209 bonds (distance) P-C4' energy: -139.368 flat angles C4'-P-C4' energy: -143.769 flat angles P-C4'-P energy: -104.956 tors. eta vs tors. theta energy: -98.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1305.844311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.844311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.844311 (E_RNA) where: Base-Base interactions energy: -741.386 where: short stacking energy: -355.357 Base-Backbone interact. energy: -0.058 local terms energy: -564.400858 where: bonds (distance) C4'-P energy: -146.474 bonds (distance) P-C4' energy: -157.649 flat angles C4'-P-C4' energy: -128.122 flat angles P-C4'-P energy: -79.006 tors. eta vs tors. theta energy: -53.149 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: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -809.019240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.019240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.019240 (E_RNA) where: Base-Base interactions energy: -342.992 where: short stacking energy: -218.643 Base-Backbone interact. energy: -0.941 local terms energy: -465.087170 where: bonds (distance) C4'-P energy: -131.123 bonds (distance) P-C4' energy: -134.116 flat angles C4'-P-C4' energy: -108.740 flat angles P-C4'-P energy: -89.703 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -749.414351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.414351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.414351 (E_RNA) where: Base-Base interactions energy: -313.188 where: short stacking energy: -187.912 Base-Backbone interact. energy: -1.439 local terms energy: -434.787420 where: bonds (distance) C4'-P energy: -123.752 bonds (distance) P-C4' energy: -142.928 flat angles C4'-P-C4' energy: -114.002 flat angles P-C4'-P energy: -78.028 tors. eta vs tors. theta energy: 23.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2629.688694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.688694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.688694 (E_RNA) where: Base-Base interactions energy: -1753.216 where: short stacking energy: -786.705 Base-Backbone interact. energy: -3.799 local terms energy: -872.673144 where: bonds (distance) C4'-P energy: -155.517 bonds (distance) P-C4' energy: -175.917 flat angles C4'-P-C4' energy: -181.435 flat angles P-C4'-P energy: -131.734 tors. eta vs tors. theta energy: -228.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2527.398661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.398661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.398661 (E_RNA) where: Base-Base interactions energy: -1696.008 where: short stacking energy: -721.650 Base-Backbone interact. energy: -8.582 local terms energy: -822.808131 where: bonds (distance) C4'-P energy: -156.053 bonds (distance) P-C4' energy: -166.724 flat angles C4'-P-C4' energy: -176.801 flat angles P-C4'-P energy: -107.912 tors. eta vs tors. theta energy: -215.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2382.909773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.909773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.909773 (E_RNA) where: Base-Base interactions energy: -1607.559 where: short stacking energy: -677.575 Base-Backbone interact. energy: 4.083 local terms energy: -779.434034 where: bonds (distance) C4'-P energy: -150.300 bonds (distance) P-C4' energy: -146.308 flat angles C4'-P-C4' energy: -178.113 flat angles P-C4'-P energy: -115.292 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: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2172.553264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.553264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.553264 (E_RNA) where: Base-Base interactions energy: -1461.287 where: short stacking energy: -633.575 Base-Backbone interact. energy: -5.530 local terms energy: -705.735782 where: bonds (distance) C4'-P energy: -146.566 bonds (distance) P-C4' energy: -144.508 flat angles C4'-P-C4' energy: -159.074 flat angles P-C4'-P energy: -90.595 tors. eta vs tors. theta energy: -164.993 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: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2114.741189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.741189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.741189 (E_RNA) where: Base-Base interactions energy: -1395.051 where: short stacking energy: -641.968 Base-Backbone interact. energy: -2.384 local terms energy: -717.306778 where: bonds (distance) C4'-P energy: -130.268 bonds (distance) P-C4' energy: -145.063 flat angles C4'-P-C4' energy: -162.915 flat angles P-C4'-P energy: -109.280 tors. eta vs tors. theta energy: -169.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1864.929135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.929135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.929135 (E_RNA) where: Base-Base interactions energy: -1196.937 where: short stacking energy: -569.791 Base-Backbone interact. energy: 0.981 local terms energy: -668.972993 where: bonds (distance) C4'-P energy: -138.126 bonds (distance) P-C4' energy: -157.408 flat angles C4'-P-C4' energy: -149.852 flat angles P-C4'-P energy: -104.281 tors. eta vs tors. theta energy: -119.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1716.917470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.917470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.917470 (E_RNA) where: Base-Base interactions energy: -1100.502 where: short stacking energy: -492.275 Base-Backbone interact. energy: 3.577 local terms energy: -619.992113 where: bonds (distance) C4'-P energy: -128.874 bonds (distance) P-C4' energy: -146.542 flat angles C4'-P-C4' energy: -148.681 flat angles P-C4'-P energy: -102.798 tors. eta vs tors. theta energy: -93.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1331.256672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.256672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.256672 (E_RNA) where: Base-Base interactions energy: -776.890 where: short stacking energy: -364.273 Base-Backbone interact. energy: -1.111 local terms energy: -553.255796 where: bonds (distance) C4'-P energy: -147.895 bonds (distance) P-C4' energy: -126.427 flat angles C4'-P-C4' energy: -137.798 flat angles P-C4'-P energy: -69.416 tors. eta vs tors. theta energy: -71.719 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: 9, replica: 10 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -900.921926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.921926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.921926 (E_RNA) where: Base-Base interactions energy: -468.639 where: short stacking energy: -265.485 Base-Backbone interact. energy: 6.582 local terms energy: -438.865522 where: bonds (distance) C4'-P energy: -127.320 bonds (distance) P-C4' energy: -120.740 flat angles C4'-P-C4' energy: -115.355 flat angles P-C4'-P energy: -59.601 tors. eta vs tors. theta energy: -15.849 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: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -778.764005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.764005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.764005 (E_RNA) where: Base-Base interactions energy: -358.228 where: short stacking energy: -204.644 Base-Backbone interact. energy: 0.867 local terms energy: -421.403179 where: bonds (distance) C4'-P energy: -116.010 bonds (distance) P-C4' energy: -135.022 flat angles C4'-P-C4' energy: -129.151 flat angles P-C4'-P energy: -65.409 tors. eta vs tors. theta energy: 24.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2696.368863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.368863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.368863 (E_RNA) where: Base-Base interactions energy: -1831.373 where: short stacking energy: -811.051 Base-Backbone interact. energy: -2.497 local terms energy: -862.499261 where: bonds (distance) C4'-P energy: -151.774 bonds (distance) P-C4' energy: -165.614 flat angles C4'-P-C4' energy: -180.654 flat angles P-C4'-P energy: -119.508 tors. eta vs tors. theta energy: -244.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2530.304027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.304027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.304027 (E_RNA) where: Base-Base interactions energy: -1698.243 where: short stacking energy: -731.075 Base-Backbone interact. energy: -5.874 local terms energy: -826.186396 where: bonds (distance) C4'-P energy: -166.217 bonds (distance) P-C4' energy: -169.900 flat angles C4'-P-C4' energy: -179.556 flat angles P-C4'-P energy: -106.380 tors. eta vs tors. theta energy: -204.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2368.086923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.086923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.086923 (E_RNA) where: Base-Base interactions energy: -1578.351 where: short stacking energy: -715.145 Base-Backbone interact. energy: -2.214 local terms energy: -787.521846 where: bonds (distance) C4'-P energy: -139.318 bonds (distance) P-C4' energy: -171.733 flat angles C4'-P-C4' energy: -163.843 flat angles P-C4'-P energy: -110.677 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: 4, replica: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2125.743596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.743596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.743596 (E_RNA) where: Base-Base interactions energy: -1428.597 where: short stacking energy: -614.844 Base-Backbone interact. energy: -0.458 local terms energy: -696.689076 where: bonds (distance) C4'-P energy: -142.481 bonds (distance) P-C4' energy: -157.255 flat angles C4'-P-C4' energy: -169.574 flat angles P-C4'-P energy: -98.694 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: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2071.494170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.494170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.494170 (E_RNA) where: Base-Base interactions energy: -1341.948 where: short stacking energy: -603.395 Base-Backbone interact. energy: -4.679 local terms energy: -724.867619 where: bonds (distance) C4'-P energy: -141.749 bonds (distance) P-C4' energy: -150.906 flat angles C4'-P-C4' energy: -158.773 flat angles P-C4'-P energy: -107.377 tors. eta vs tors. theta energy: -166.063 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: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1912.739944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.739944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.739944 (E_RNA) where: Base-Base interactions energy: -1233.286 where: short stacking energy: -578.698 Base-Backbone interact. energy: 3.046 local terms energy: -682.500131 where: bonds (distance) C4'-P energy: -122.721 bonds (distance) P-C4' energy: -157.047 flat angles C4'-P-C4' energy: -162.879 flat angles P-C4'-P energy: -109.392 tors. eta vs tors. theta energy: -130.460 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: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1758.280209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.280209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.280209 (E_RNA) where: Base-Base interactions energy: -1116.560 where: short stacking energy: -489.451 Base-Backbone interact. energy: 2.881 local terms energy: -644.600788 where: bonds (distance) C4'-P energy: -132.315 bonds (distance) P-C4' energy: -142.985 flat angles C4'-P-C4' energy: -153.624 flat angles P-C4'-P energy: -94.671 tors. eta vs tors. theta energy: -121.005 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: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1320.576945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.576945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.576945 (E_RNA) where: Base-Base interactions energy: -758.167 where: short stacking energy: -364.686 Base-Backbone interact. energy: 0.679 local terms energy: -563.088270 where: bonds (distance) C4'-P energy: -135.885 bonds (distance) P-C4' energy: -154.018 flat angles C4'-P-C4' energy: -146.406 flat angles P-C4'-P energy: -63.524 tors. eta vs tors. theta energy: -63.255 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: 87 Temperature: 1.300000 Total energy: -877.034598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.034598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.034598 (E_RNA) where: Base-Base interactions energy: -386.833 where: short stacking energy: -216.308 Base-Backbone interact. energy: 1.794 local terms energy: -491.995522 where: bonds (distance) C4'-P energy: -134.897 bonds (distance) P-C4' energy: -148.410 flat angles C4'-P-C4' energy: -143.186 flat angles P-C4'-P energy: -74.003 tors. eta vs tors. theta energy: 8.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -785.821720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.821720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.821720 (E_RNA) where: Base-Base interactions energy: -358.319 where: short stacking energy: -228.243 Base-Backbone interact. energy: -0.337 local terms energy: -427.165063 where: bonds (distance) C4'-P energy: -121.642 bonds (distance) P-C4' energy: -137.124 flat angles C4'-P-C4' energy: -127.558 flat angles P-C4'-P energy: -59.685 tors. eta vs tors. theta energy: 18.844 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: 1, replica: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2698.163140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.163140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.163140 (E_RNA) where: Base-Base interactions energy: -1803.738 where: short stacking energy: -813.920 Base-Backbone interact. energy: -4.874 local terms energy: -889.551649 where: bonds (distance) C4'-P energy: -174.925 bonds (distance) P-C4' energy: -166.088 flat angles C4'-P-C4' energy: -193.524 flat angles P-C4'-P energy: -116.760 tors. eta vs tors. theta energy: -238.256 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: 8 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2535.107378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.107378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.107378 (E_RNA) where: Base-Base interactions energy: -1696.338 where: short stacking energy: -715.720 Base-Backbone interact. energy: -3.674 local terms energy: -835.095487 where: bonds (distance) C4'-P energy: -170.695 bonds (distance) P-C4' energy: -167.314 flat angles C4'-P-C4' energy: -162.242 flat angles P-C4'-P energy: -117.325 tors. eta vs tors. theta energy: -217.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2383.511683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.511683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.511683 (E_RNA) where: Base-Base interactions energy: -1578.591 where: short stacking energy: -682.518 Base-Backbone interact. energy: -2.572 local terms energy: -802.348847 where: bonds (distance) C4'-P energy: -151.006 bonds (distance) P-C4' energy: -161.205 flat angles C4'-P-C4' energy: -183.120 flat angles P-C4'-P energy: -114.121 tors. eta vs tors. theta energy: -192.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2151.039735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.039735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.039735 (E_RNA) where: Base-Base interactions energy: -1427.850 where: short stacking energy: -603.318 Base-Backbone interact. energy: -4.009 local terms energy: -719.181306 where: bonds (distance) C4'-P energy: -148.664 bonds (distance) P-C4' energy: -161.363 flat angles C4'-P-C4' energy: -158.105 flat angles P-C4'-P energy: -102.332 tors. eta vs tors. theta energy: -148.716 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: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2074.183541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.183541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.183541 (E_RNA) where: Base-Base interactions energy: -1343.350 where: short stacking energy: -612.880 Base-Backbone interact. energy: -1.127 local terms energy: -729.707111 where: bonds (distance) C4'-P energy: -146.042 bonds (distance) P-C4' energy: -151.333 flat angles C4'-P-C4' energy: -155.162 flat angles P-C4'-P energy: -109.031 tors. eta vs tors. theta energy: -168.139 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: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1980.771997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.771997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.771997 (E_RNA) where: Base-Base interactions energy: -1285.251 where: short stacking energy: -545.757 Base-Backbone interact. energy: -0.825 local terms energy: -694.696140 where: bonds (distance) C4'-P energy: -146.869 bonds (distance) P-C4' energy: -157.003 flat angles C4'-P-C4' energy: -155.740 flat angles P-C4'-P energy: -96.645 tors. eta vs tors. theta energy: -138.438 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: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1664.270515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.270515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.270515 (E_RNA) where: Base-Base interactions energy: -1080.642 where: short stacking energy: -477.113 Base-Backbone interact. energy: -0.744 local terms energy: -582.884614 where: bonds (distance) C4'-P energy: -131.177 bonds (distance) P-C4' energy: -146.497 flat angles C4'-P-C4' energy: -127.658 flat angles P-C4'-P energy: -83.343 tors. eta vs tors. theta energy: -94.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1393.703141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.703141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.703141 (E_RNA) where: Base-Base interactions energy: -832.293 where: short stacking energy: -398.728 Base-Backbone interact. energy: 1.347 local terms energy: -562.757581 where: bonds (distance) C4'-P energy: -145.177 bonds (distance) P-C4' energy: -133.874 flat angles C4'-P-C4' energy: -125.587 flat angles P-C4'-P energy: -101.396 tors. eta vs tors. theta energy: -56.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -896.332749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.332749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.332749 (E_RNA) where: Base-Base interactions energy: -428.968 where: short stacking energy: -245.036 Base-Backbone interact. energy: 4.315 local terms energy: -471.679716 where: bonds (distance) C4'-P energy: -128.185 bonds (distance) P-C4' energy: -133.894 flat angles C4'-P-C4' energy: -140.887 flat angles P-C4'-P energy: -75.803 tors. eta vs tors. theta energy: 7.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -775.688648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.688648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.688648 (E_RNA) where: Base-Base interactions energy: -333.995 where: short stacking energy: -208.218 Base-Backbone interact. energy: 0.130 local terms energy: -441.823204 where: bonds (distance) C4'-P energy: -130.206 bonds (distance) P-C4' energy: -145.400 flat angles C4'-P-C4' energy: -115.168 flat angles P-C4'-P energy: -69.011 tors. eta vs tors. theta energy: 17.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2671.612724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.612724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.612724 (E_RNA) where: Base-Base interactions energy: -1799.701 where: short stacking energy: -792.458 Base-Backbone interact. energy: -4.218 local terms energy: -867.693920 where: bonds (distance) C4'-P energy: -161.108 bonds (distance) P-C4' energy: -158.090 flat angles C4'-P-C4' energy: -188.189 flat angles P-C4'-P energy: -129.279 tors. eta vs tors. theta energy: -231.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2579.881991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.881991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.881991 (E_RNA) where: Base-Base interactions energy: -1736.711 where: short stacking energy: -741.754 Base-Backbone interact. energy: -3.242 local terms energy: -839.929639 where: bonds (distance) C4'-P energy: -174.516 bonds (distance) P-C4' energy: -164.579 flat angles C4'-P-C4' energy: -190.729 flat angles P-C4'-P energy: -105.009 tors. eta vs tors. theta energy: -205.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2402.287107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.287107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.287107 (E_RNA) where: Base-Base interactions energy: -1595.918 where: short stacking energy: -693.472 Base-Backbone interact. energy: 0.675 local terms energy: -807.044064 where: bonds (distance) C4'-P energy: -169.086 bonds (distance) P-C4' energy: -159.471 flat angles C4'-P-C4' energy: -174.984 flat angles P-C4'-P energy: -118.323 tors. eta vs tors. theta energy: -185.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2101.322615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.322615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.322615 (E_RNA) where: Base-Base interactions energy: -1363.706 where: short stacking energy: -588.184 Base-Backbone interact. energy: -3.118 local terms energy: -734.499300 where: bonds (distance) C4'-P energy: -146.680 bonds (distance) P-C4' energy: -160.001 flat angles C4'-P-C4' energy: -162.711 flat angles P-C4'-P energy: -113.223 tors. eta vs tors. theta energy: -151.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2060.734062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.734062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.734062 (E_RNA) where: Base-Base interactions energy: -1360.917 where: short stacking energy: -595.919 Base-Backbone interact. energy: 0.061 local terms energy: -699.877924 where: bonds (distance) C4'-P energy: -146.558 bonds (distance) P-C4' energy: -144.947 flat angles C4'-P-C4' energy: -144.777 flat angles P-C4'-P energy: -97.634 tors. eta vs tors. theta energy: -165.962 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: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2052.100934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.100934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.100934 (E_RNA) where: Base-Base interactions energy: -1358.761 where: short stacking energy: -591.666 Base-Backbone interact. energy: 2.981 local terms energy: -696.321204 where: bonds (distance) C4'-P energy: -142.272 bonds (distance) P-C4' energy: -131.949 flat angles C4'-P-C4' energy: -157.566 flat angles P-C4'-P energy: -116.266 tors. eta vs tors. theta energy: -148.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1645.343474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.343474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.343474 (E_RNA) where: Base-Base interactions energy: -1074.030 where: short stacking energy: -485.772 Base-Backbone interact. energy: 5.332 local terms energy: -576.645367 where: bonds (distance) C4'-P energy: -124.516 bonds (distance) P-C4' energy: -136.031 flat angles C4'-P-C4' energy: -142.626 flat angles P-C4'-P energy: -74.583 tors. eta vs tors. theta energy: -98.890 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: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1390.736477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.736477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.736477 (E_RNA) where: Base-Base interactions energy: -845.734 where: short stacking energy: -398.369 Base-Backbone interact. energy: -0.735 local terms energy: -544.267742 where: bonds (distance) C4'-P energy: -119.730 bonds (distance) P-C4' energy: -152.097 flat angles C4'-P-C4' energy: -128.792 flat angles P-C4'-P energy: -89.717 tors. eta vs tors. theta energy: -53.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -869.078929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.078929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.078929 (E_RNA) where: Base-Base interactions energy: -405.511 where: short stacking energy: -242.654 Base-Backbone interact. energy: -1.797 local terms energy: -461.770524 where: bonds (distance) C4'-P energy: -138.093 bonds (distance) P-C4' energy: -134.328 flat angles C4'-P-C4' energy: -120.189 flat angles P-C4'-P energy: -73.489 tors. eta vs tors. theta energy: 4.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -819.581855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.581855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.581855 (E_RNA) where: Base-Base interactions energy: -385.060 where: short stacking energy: -224.858 Base-Backbone interact. energy: -1.073 local terms energy: -433.449251 where: bonds (distance) C4'-P energy: -146.830 bonds (distance) P-C4' energy: -136.920 flat angles C4'-P-C4' energy: -112.555 flat angles P-C4'-P energy: -56.120 tors. eta vs tors. theta energy: 18.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2664.253864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.253864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.253864 (E_RNA) where: Base-Base interactions energy: -1792.255 where: short stacking energy: -788.688 Base-Backbone interact. energy: -4.100 local terms energy: -867.898675 where: bonds (distance) C4'-P energy: -177.398 bonds (distance) P-C4' energy: -146.555 flat angles C4'-P-C4' energy: -186.272 flat angles P-C4'-P energy: -139.406 tors. eta vs tors. theta energy: -218.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2521.654053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.654053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.654053 (E_RNA) where: Base-Base interactions energy: -1728.028 where: short stacking energy: -749.960 Base-Backbone interact. energy: -6.754 local terms energy: -786.871289 where: bonds (distance) C4'-P energy: -167.240 bonds (distance) P-C4' energy: -154.265 flat angles C4'-P-C4' energy: -166.355 flat angles P-C4'-P energy: -107.784 tors. eta vs tors. theta energy: -191.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2363.360272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.360272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.360272 (E_RNA) where: Base-Base interactions energy: -1583.417 where: short stacking energy: -669.410 Base-Backbone interact. energy: -2.035 local terms energy: -777.908131 where: bonds (distance) C4'-P energy: -155.643 bonds (distance) P-C4' energy: -152.240 flat angles C4'-P-C4' energy: -161.764 flat angles P-C4'-P energy: -118.850 tors. eta vs tors. theta energy: -189.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2159.417313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.417313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.417313 (E_RNA) where: Base-Base interactions energy: -1439.423 where: short stacking energy: -639.796 Base-Backbone interact. energy: -2.956 local terms energy: -717.038511 where: bonds (distance) C4'-P energy: -149.708 bonds (distance) P-C4' energy: -152.584 flat angles C4'-P-C4' energy: -143.277 flat angles P-C4'-P energy: -107.034 tors. eta vs tors. theta energy: -164.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2124.462929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.462929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.462929 (E_RNA) where: Base-Base interactions energy: -1415.254 where: short stacking energy: -615.743 Base-Backbone interact. energy: -2.498 local terms energy: -706.711474 where: bonds (distance) C4'-P energy: -136.133 bonds (distance) P-C4' energy: -143.504 flat angles C4'-P-C4' energy: -158.481 flat angles P-C4'-P energy: -119.442 tors. eta vs tors. theta energy: -149.152 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: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1960.080581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.080581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.080581 (E_RNA) where: Base-Base interactions energy: -1281.256 where: short stacking energy: -556.421 Base-Backbone interact. energy: -3.016 local terms energy: -675.808430 where: bonds (distance) C4'-P energy: -141.732 bonds (distance) P-C4' energy: -143.704 flat angles C4'-P-C4' energy: -147.388 flat angles P-C4'-P energy: -97.392 tors. eta vs tors. theta energy: -145.592 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: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1610.384563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.384563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.384563 (E_RNA) where: Base-Base interactions energy: -1026.114 where: short stacking energy: -475.070 Base-Backbone interact. energy: -4.208 local terms energy: -580.062119 where: bonds (distance) C4'-P energy: -109.597 bonds (distance) P-C4' energy: -145.764 flat angles C4'-P-C4' energy: -144.384 flat angles P-C4'-P energy: -106.840 tors. eta vs tors. theta energy: -73.477 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: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1362.111458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.111458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.111458 (E_RNA) where: Base-Base interactions energy: -813.898 where: short stacking energy: -377.083 Base-Backbone interact. energy: -6.755 local terms energy: -541.458174 where: bonds (distance) C4'-P energy: -114.614 bonds (distance) P-C4' energy: -131.087 flat angles C4'-P-C4' energy: -147.886 flat angles P-C4'-P energy: -88.570 tors. eta vs tors. theta energy: -59.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -858.152246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.152246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.152246 (E_RNA) where: Base-Base interactions energy: -399.490 where: short stacking energy: -259.815 Base-Backbone interact. energy: 4.756 local terms energy: -463.418885 where: bonds (distance) C4'-P energy: -119.936 bonds (distance) P-C4' energy: -129.805 flat angles C4'-P-C4' energy: -139.402 flat angles P-C4'-P energy: -72.603 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -775.860296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.860296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.860296 (E_RNA) where: Base-Base interactions energy: -377.893 where: short stacking energy: -227.581 Base-Backbone interact. energy: 1.589 local terms energy: -399.555788 where: bonds (distance) C4'-P energy: -116.416 bonds (distance) P-C4' energy: -139.772 flat angles C4'-P-C4' energy: -95.050 flat angles P-C4'-P energy: -57.114 tors. eta vs tors. theta energy: 8.796 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: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2697.561236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.561236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.561236 (E_RNA) where: Base-Base interactions energy: -1827.799 where: short stacking energy: -786.444 Base-Backbone interact. energy: -3.100 local terms energy: -866.662056 where: bonds (distance) C4'-P energy: -162.503 bonds (distance) P-C4' energy: -166.086 flat angles C4'-P-C4' energy: -184.461 flat angles P-C4'-P energy: -127.683 tors. eta vs tors. theta energy: -225.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2563.063651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.063651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.063651 (E_RNA) where: Base-Base interactions energy: -1752.037 where: short stacking energy: -767.179 Base-Backbone interact. energy: -5.636 local terms energy: -805.390386 where: bonds (distance) C4'-P energy: -156.903 bonds (distance) P-C4' energy: -169.376 flat angles C4'-P-C4' energy: -164.885 flat angles P-C4'-P energy: -107.357 tors. eta vs tors. theta energy: -206.869 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: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2402.688176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.688176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.688176 (E_RNA) where: Base-Base interactions energy: -1580.858 where: short stacking energy: -679.736 Base-Backbone interact. energy: -3.523 local terms energy: -818.307766 where: bonds (distance) C4'-P energy: -162.718 bonds (distance) P-C4' energy: -163.082 flat angles C4'-P-C4' energy: -176.287 flat angles P-C4'-P energy: -111.784 tors. eta vs tors. theta energy: -204.437 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: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2192.568074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.568074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.568074 (E_RNA) where: Base-Base interactions energy: -1418.749 where: short stacking energy: -588.607 Base-Backbone interact. energy: -2.824 local terms energy: -770.994727 where: bonds (distance) C4'-P energy: -149.440 bonds (distance) P-C4' energy: -169.602 flat angles C4'-P-C4' energy: -169.427 flat angles P-C4'-P energy: -111.397 tors. eta vs tors. theta energy: -171.130 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: 91 Temperature: 1.100000 Total energy: -2147.687161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.687161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.687161 (E_RNA) where: Base-Base interactions energy: -1430.279 where: short stacking energy: -633.733 Base-Backbone interact. energy: -3.158 local terms energy: -714.250332 where: bonds (distance) C4'-P energy: -146.750 bonds (distance) P-C4' energy: -141.430 flat angles C4'-P-C4' energy: -170.837 flat angles P-C4'-P energy: -94.212 tors. eta vs tors. theta energy: -161.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1895.650076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.650076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.650076 (E_RNA) where: Base-Base interactions energy: -1208.552 where: short stacking energy: -530.679 Base-Backbone interact. energy: -4.790 local terms energy: -682.307636 where: bonds (distance) C4'-P energy: -159.729 bonds (distance) P-C4' energy: -142.812 flat angles C4'-P-C4' energy: -142.041 flat angles P-C4'-P energy: -98.660 tors. eta vs tors. theta energy: -139.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1636.692709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.692709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.692709 (E_RNA) where: Base-Base interactions energy: -1051.362 where: short stacking energy: -451.002 Base-Backbone interact. energy: 1.831 local terms energy: -587.161903 where: bonds (distance) C4'-P energy: -121.771 bonds (distance) P-C4' energy: -122.970 flat angles C4'-P-C4' energy: -161.734 flat angles P-C4'-P energy: -99.146 tors. eta vs tors. theta energy: -81.541 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: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1333.598426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.598426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.598426 (E_RNA) where: Base-Base interactions energy: -802.464 where: short stacking energy: -394.495 Base-Backbone interact. energy: -0.679 local terms energy: -530.455494 where: bonds (distance) C4'-P energy: -137.578 bonds (distance) P-C4' energy: -140.008 flat angles C4'-P-C4' energy: -131.406 flat angles P-C4'-P energy: -68.690 tors. eta vs tors. theta energy: -52.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -842.244749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.244749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.244749 (E_RNA) where: Base-Base interactions energy: -407.534 where: short stacking energy: -255.169 Base-Backbone interact. energy: -0.558 local terms energy: -434.152252 where: bonds (distance) C4'-P energy: -137.779 bonds (distance) P-C4' energy: -129.608 flat angles C4'-P-C4' energy: -112.513 flat angles P-C4'-P energy: -60.355 tors. eta vs tors. theta energy: 6.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -808.943510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.943510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.943510 (E_RNA) where: Base-Base interactions energy: -415.694 where: short stacking energy: -246.788 Base-Backbone interact. energy: 0.191 local terms energy: -393.440318 where: bonds (distance) C4'-P energy: -116.272 bonds (distance) P-C4' energy: -129.527 flat angles C4'-P-C4' energy: -112.371 flat angles P-C4'-P energy: -58.698 tors. eta vs tors. theta energy: 23.427 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: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2722.083500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.083500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.083500 (E_RNA) where: Base-Base interactions energy: -1844.917 where: short stacking energy: -800.791 Base-Backbone interact. energy: -2.120 local terms energy: -875.046711 where: bonds (distance) C4'-P energy: -166.604 bonds (distance) P-C4' energy: -159.889 flat angles C4'-P-C4' energy: -166.253 flat angles P-C4'-P energy: -136.566 tors. eta vs tors. theta energy: -245.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2565.326402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.326402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.326402 (E_RNA) where: Base-Base interactions energy: -1740.166 where: short stacking energy: -735.966 Base-Backbone interact. energy: 6.148 local terms energy: -831.307622 where: bonds (distance) C4'-P energy: -156.990 bonds (distance) P-C4' energy: -164.231 flat angles C4'-P-C4' energy: -177.263 flat angles P-C4'-P energy: -131.923 tors. eta vs tors. theta energy: -200.900 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: 7 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2388.306054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.306054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.306054 (E_RNA) where: Base-Base interactions energy: -1565.854 where: short stacking energy: -684.919 Base-Backbone interact. energy: -4.154 local terms energy: -818.298221 where: bonds (distance) C4'-P energy: -156.787 bonds (distance) P-C4' energy: -165.812 flat angles C4'-P-C4' energy: -175.801 flat angles P-C4'-P energy: -109.474 tors. eta vs tors. theta energy: -210.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2227.101539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.101539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.101539 (E_RNA) where: Base-Base interactions energy: -1522.017 where: short stacking energy: -632.981 Base-Backbone interact. energy: 0.902 local terms energy: -705.986478 where: bonds (distance) C4'-P energy: -143.843 bonds (distance) P-C4' energy: -160.196 flat angles C4'-P-C4' energy: -148.006 flat angles P-C4'-P energy: -94.979 tors. eta vs tors. theta energy: -158.963 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: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2199.986640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.986640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.986640 (E_RNA) where: Base-Base interactions energy: -1479.241 where: short stacking energy: -641.886 Base-Backbone interact. energy: 1.818 local terms energy: -722.564026 where: bonds (distance) C4'-P energy: -131.542 bonds (distance) P-C4' energy: -136.924 flat angles C4'-P-C4' energy: -167.361 flat angles P-C4'-P energy: -110.104 tors. eta vs tors. theta energy: -176.634 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: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1928.227838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.227838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.227838 (E_RNA) where: Base-Base interactions energy: -1244.989 where: short stacking energy: -573.477 Base-Backbone interact. energy: -3.343 local terms energy: -679.896165 where: bonds (distance) C4'-P energy: -132.757 bonds (distance) P-C4' energy: -131.129 flat angles C4'-P-C4' energy: -163.597 flat angles P-C4'-P energy: -102.270 tors. eta vs tors. theta energy: -150.142 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: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1619.189950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.189950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.189950 (E_RNA) where: Base-Base interactions energy: -1012.536 where: short stacking energy: -448.018 Base-Backbone interact. energy: -4.586 local terms energy: -602.068177 where: bonds (distance) C4'-P energy: -133.416 bonds (distance) P-C4' energy: -142.653 flat angles C4'-P-C4' energy: -138.839 flat angles P-C4'-P energy: -100.089 tors. eta vs tors. theta energy: -87.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1322.039593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.039593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.039593 (E_RNA) where: Base-Base interactions energy: -796.779 where: short stacking energy: -379.603 Base-Backbone interact. energy: 0.156 local terms energy: -525.416428 where: bonds (distance) C4'-P energy: -145.434 bonds (distance) P-C4' energy: -136.000 flat angles C4'-P-C4' energy: -116.170 flat angles P-C4'-P energy: -75.017 tors. eta vs tors. theta energy: -52.796 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: 10 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -829.215156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.215156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.215156 (E_RNA) where: Base-Base interactions energy: -392.720 where: short stacking energy: -249.740 Base-Backbone interact. energy: -2.618 local terms energy: -433.877014 where: bonds (distance) C4'-P energy: -139.146 bonds (distance) P-C4' energy: -126.825 flat angles C4'-P-C4' energy: -102.178 flat angles P-C4'-P energy: -63.180 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -806.781867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.781867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.781867 (E_RNA) where: Base-Base interactions energy: -379.302 where: short stacking energy: -212.754 Base-Backbone interact. energy: -0.113 local terms energy: -427.366790 where: bonds (distance) C4'-P energy: -128.361 bonds (distance) P-C4' energy: -127.921 flat angles C4'-P-C4' energy: -120.206 flat angles P-C4'-P energy: -64.782 tors. eta vs tors. theta energy: 13.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2708.245241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.245241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.245241 (E_RNA) where: Base-Base interactions energy: -1824.442 where: short stacking energy: -795.532 Base-Backbone interact. energy: -0.691 local terms energy: -883.112551 where: bonds (distance) C4'-P energy: -163.904 bonds (distance) P-C4' energy: -171.217 flat angles C4'-P-C4' energy: -185.258 flat angles P-C4'-P energy: -122.398 tors. eta vs tors. theta energy: -240.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2527.123326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.123326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.123326 (E_RNA) where: Base-Base interactions energy: -1745.063 where: short stacking energy: -751.403 Base-Backbone interact. energy: -0.354 local terms energy: -781.705641 where: bonds (distance) C4'-P energy: -149.476 bonds (distance) P-C4' energy: -151.593 flat angles C4'-P-C4' energy: -182.658 flat angles P-C4'-P energy: -96.705 tors. eta vs tors. theta energy: -201.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2340.551718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.551718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.551718 (E_RNA) where: Base-Base interactions energy: -1586.127 where: short stacking energy: -681.830 Base-Backbone interact. energy: -0.959 local terms energy: -753.465331 where: bonds (distance) C4'-P energy: -142.925 bonds (distance) P-C4' energy: -152.768 flat angles C4'-P-C4' energy: -148.352 flat angles P-C4'-P energy: -102.935 tors. eta vs tors. theta energy: -206.485 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: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2237.923065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.923065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.923065 (E_RNA) where: Base-Base interactions energy: -1516.386 where: short stacking energy: -636.980 Base-Backbone interact. energy: 2.304 local terms energy: -723.841342 where: bonds (distance) C4'-P energy: -143.479 bonds (distance) P-C4' energy: -154.403 flat angles C4'-P-C4' energy: -167.330 flat angles P-C4'-P energy: -108.368 tors. eta vs tors. theta energy: -150.262 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: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2183.072655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.072655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.072655 (E_RNA) where: Base-Base interactions energy: -1434.617 where: short stacking energy: -637.343 Base-Backbone interact. energy: 1.881 local terms energy: -750.336398 where: bonds (distance) C4'-P energy: -151.364 bonds (distance) P-C4' energy: -155.753 flat angles C4'-P-C4' energy: -172.577 flat angles P-C4'-P energy: -123.031 tors. eta vs tors. theta energy: -147.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1878.618863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.618863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.618863 (E_RNA) where: Base-Base interactions energy: -1187.055 where: short stacking energy: -543.802 Base-Backbone interact. energy: -2.822 local terms energy: -688.741918 where: bonds (distance) C4'-P energy: -144.162 bonds (distance) P-C4' energy: -167.100 flat angles C4'-P-C4' energy: -158.366 flat angles P-C4'-P energy: -77.134 tors. eta vs tors. theta energy: -141.980 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: 93 Temperature: 1.200000 Total energy: -1719.397468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.397468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.397468 (E_RNA) where: Base-Base interactions energy: -1099.087 where: short stacking energy: -487.806 Base-Backbone interact. energy: 2.250 local terms energy: -622.561091 where: bonds (distance) C4'-P energy: -138.482 bonds (distance) P-C4' energy: -143.219 flat angles C4'-P-C4' energy: -149.419 flat angles P-C4'-P energy: -74.923 tors. eta vs tors. theta energy: -116.518 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: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1291.779524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.779524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.779524 (E_RNA) where: Base-Base interactions energy: -754.539 where: short stacking energy: -361.764 Base-Backbone interact. energy: -0.022 local terms energy: -537.219272 where: bonds (distance) C4'-P energy: -148.662 bonds (distance) P-C4' energy: -123.101 flat angles C4'-P-C4' energy: -134.125 flat angles P-C4'-P energy: -77.102 tors. eta vs tors. theta energy: -54.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -849.288511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.288511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.288511 (E_RNA) where: Base-Base interactions energy: -354.657 where: short stacking energy: -216.369 Base-Backbone interact. energy: 4.072 local terms energy: -498.703311 where: bonds (distance) C4'-P energy: -134.571 bonds (distance) P-C4' energy: -161.994 flat angles C4'-P-C4' energy: -117.929 flat angles P-C4'-P energy: -99.396 tors. eta vs tors. theta energy: 15.187 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: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -809.192228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.192228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.192228 (E_RNA) where: Base-Base interactions energy: -385.457 where: short stacking energy: -213.064 Base-Backbone interact. energy: 1.008 local terms energy: -424.743596 where: bonds (distance) C4'-P energy: -117.634 bonds (distance) P-C4' energy: -144.962 flat angles C4'-P-C4' energy: -95.859 flat angles P-C4'-P energy: -74.054 tors. eta vs tors. theta energy: 7.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2733.316213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.316213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.316213 (E_RNA) where: Base-Base interactions energy: -1847.002 where: short stacking energy: -817.463 Base-Backbone interact. energy: -4.565 local terms energy: -881.748844 where: bonds (distance) C4'-P energy: -170.649 bonds (distance) P-C4' energy: -155.796 flat angles C4'-P-C4' energy: -181.369 flat angles P-C4'-P energy: -137.087 tors. eta vs tors. theta energy: -236.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2541.670451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.670451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.670451 (E_RNA) where: Base-Base interactions energy: -1721.005 where: short stacking energy: -739.229 Base-Backbone interact. energy: -7.196 local terms energy: -813.469663 where: bonds (distance) C4'-P energy: -142.138 bonds (distance) P-C4' energy: -168.469 flat angles C4'-P-C4' energy: -184.449 flat angles P-C4'-P energy: -106.099 tors. eta vs tors. theta energy: -212.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2356.727558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.727558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.727558 (E_RNA) where: Base-Base interactions energy: -1548.061 where: short stacking energy: -685.125 Base-Backbone interact. energy: 0.494 local terms energy: -809.160363 where: bonds (distance) C4'-P energy: -151.382 bonds (distance) P-C4' energy: -160.684 flat angles C4'-P-C4' energy: -181.265 flat angles P-C4'-P energy: -117.460 tors. eta vs tors. theta energy: -198.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2232.391080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.391080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.391080 (E_RNA) where: Base-Base interactions energy: -1507.671 where: short stacking energy: -620.027 Base-Backbone interact. energy: -1.648 local terms energy: -723.072638 where: bonds (distance) C4'-P energy: -131.529 bonds (distance) P-C4' energy: -142.890 flat angles C4'-P-C4' energy: -152.461 flat angles P-C4'-P energy: -130.663 tors. eta vs tors. theta energy: -165.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2106.146012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.146012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.146012 (E_RNA) where: Base-Base interactions energy: -1393.504 where: short stacking energy: -618.766 Base-Backbone interact. energy: -3.772 local terms energy: -708.870259 where: bonds (distance) C4'-P energy: -139.853 bonds (distance) P-C4' energy: -152.157 flat angles C4'-P-C4' energy: -159.351 flat angles P-C4'-P energy: -108.439 tors. eta vs tors. theta energy: -149.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1859.848024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.848024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.848024 (E_RNA) where: Base-Base interactions energy: -1196.121 where: short stacking energy: -548.311 Base-Backbone interact. energy: -3.052 local terms energy: -660.674627 where: bonds (distance) C4'-P energy: -128.533 bonds (distance) P-C4' energy: -146.091 flat angles C4'-P-C4' energy: -157.520 flat angles P-C4'-P energy: -108.134 tors. eta vs tors. theta energy: -120.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1745.184953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.184953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.184953 (E_RNA) where: Base-Base interactions energy: -1134.994 where: short stacking energy: -500.121 Base-Backbone interact. energy: -2.740 local terms energy: -607.451088 where: bonds (distance) C4'-P energy: -107.762 bonds (distance) P-C4' energy: -162.666 flat angles C4'-P-C4' energy: -144.693 flat angles P-C4'-P energy: -88.127 tors. eta vs tors. theta energy: -104.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1310.090855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.090855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.090855 (E_RNA) where: Base-Base interactions energy: -761.913 where: short stacking energy: -388.980 Base-Backbone interact. energy: -4.920 local terms energy: -543.257555 where: bonds (distance) C4'-P energy: -130.240 bonds (distance) P-C4' energy: -139.528 flat angles C4'-P-C4' energy: -123.503 flat angles P-C4'-P energy: -84.122 tors. eta vs tors. theta energy: -65.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -859.113497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.113497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.113497 (E_RNA) where: Base-Base interactions energy: -411.486 where: short stacking energy: -243.547 Base-Backbone interact. energy: 3.278 local terms energy: -450.904883 where: bonds (distance) C4'-P energy: -142.978 bonds (distance) P-C4' energy: -132.129 flat angles C4'-P-C4' energy: -97.406 flat angles P-C4'-P energy: -75.506 tors. eta vs tors. theta energy: -2.886 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: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -731.150985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.150985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.150985 (E_RNA) where: Base-Base interactions energy: -323.220 where: short stacking energy: -209.654 Base-Backbone interact. energy: -0.775 local terms energy: -407.156219 where: bonds (distance) C4'-P energy: -103.044 bonds (distance) P-C4' energy: -135.203 flat angles C4'-P-C4' energy: -115.416 flat angles P-C4'-P energy: -71.556 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: 1, replica: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2685.141770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.141770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.141770 (E_RNA) where: Base-Base interactions energy: -1817.326 where: short stacking energy: -751.474 Base-Backbone interact. energy: -2.824 local terms energy: -864.991340 where: bonds (distance) C4'-P energy: -179.490 bonds (distance) P-C4' energy: -149.734 flat angles C4'-P-C4' energy: -190.153 flat angles P-C4'-P energy: -129.467 tors. eta vs tors. theta energy: -216.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2562.457151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.457151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.457151 (E_RNA) where: Base-Base interactions energy: -1751.387 where: short stacking energy: -753.441 Base-Backbone interact. energy: 1.050 local terms energy: -812.120383 where: bonds (distance) C4'-P energy: -155.693 bonds (distance) P-C4' energy: -147.915 flat angles C4'-P-C4' energy: -181.899 flat angles P-C4'-P energy: -125.696 tors. eta vs tors. theta energy: -200.918 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: 7 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2344.394182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.394182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.394182 (E_RNA) where: Base-Base interactions energy: -1549.954 where: short stacking energy: -689.327 Base-Backbone interact. energy: -2.955 local terms energy: -791.485302 where: bonds (distance) C4'-P energy: -154.357 bonds (distance) P-C4' energy: -169.323 flat angles C4'-P-C4' energy: -163.863 flat angles P-C4'-P energy: -108.081 tors. eta vs tors. theta energy: -195.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2208.577134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.577134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.577134 (E_RNA) where: Base-Base interactions energy: -1476.941 where: short stacking energy: -604.393 Base-Backbone interact. energy: -2.560 local terms energy: -729.076723 where: bonds (distance) C4'-P energy: -158.547 bonds (distance) P-C4' energy: -158.192 flat angles C4'-P-C4' energy: -157.850 flat angles P-C4'-P energy: -102.322 tors. eta vs tors. theta energy: -152.166 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: 95 Temperature: 1.100000 Total energy: -2060.782939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.782939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.782939 (E_RNA) where: Base-Base interactions energy: -1368.966 where: short stacking energy: -605.374 Base-Backbone interact. energy: 2.440 local terms energy: -694.256660 where: bonds (distance) C4'-P energy: -141.709 bonds (distance) P-C4' energy: -160.378 flat angles C4'-P-C4' energy: -149.602 flat angles P-C4'-P energy: -106.969 tors. eta vs tors. theta energy: -135.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1864.270776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.270776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.270776 (E_RNA) where: Base-Base interactions energy: -1201.697 where: short stacking energy: -556.229 Base-Backbone interact. energy: -2.846 local terms energy: -659.727789 where: bonds (distance) C4'-P energy: -140.832 bonds (distance) P-C4' energy: -155.110 flat angles C4'-P-C4' energy: -143.329 flat angles P-C4'-P energy: -87.523 tors. eta vs tors. theta energy: -132.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1762.083809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.083809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.083809 (E_RNA) where: Base-Base interactions energy: -1141.232 where: short stacking energy: -480.893 Base-Backbone interact. energy: -1.086 local terms energy: -619.765539 where: bonds (distance) C4'-P energy: -127.901 bonds (distance) P-C4' energy: -153.144 flat angles C4'-P-C4' energy: -137.985 flat angles P-C4'-P energy: -91.394 tors. eta vs tors. theta energy: -109.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1267.179753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.179753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.179753 (E_RNA) where: Base-Base interactions energy: -761.650 where: short stacking energy: -355.952 Base-Backbone interact. energy: 0.159 local terms energy: -505.688719 where: bonds (distance) C4'-P energy: -125.686 bonds (distance) P-C4' energy: -122.423 flat angles C4'-P-C4' energy: -124.398 flat angles P-C4'-P energy: -82.811 tors. eta vs tors. theta energy: -50.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -851.029189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.029189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.029189 (E_RNA) where: Base-Base interactions energy: -397.153 where: short stacking energy: -262.390 Base-Backbone interact. energy: 1.492 local terms energy: -455.367740 where: bonds (distance) C4'-P energy: -130.322 bonds (distance) P-C4' energy: -145.633 flat angles C4'-P-C4' energy: -117.960 flat angles P-C4'-P energy: -55.750 tors. eta vs tors. theta energy: -5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -711.018765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.018765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.018765 (E_RNA) where: Base-Base interactions energy: -296.321 where: short stacking energy: -197.269 Base-Backbone interact. energy: -0.778 local terms energy: -413.919893 where: bonds (distance) C4'-P energy: -130.296 bonds (distance) P-C4' energy: -113.015 flat angles C4'-P-C4' energy: -130.631 flat angles P-C4'-P energy: -72.832 tors. eta vs tors. theta energy: 32.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2704.669618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.669618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.669618 (E_RNA) where: Base-Base interactions energy: -1834.165 where: short stacking energy: -778.396 Base-Backbone interact. energy: 0.472 local terms energy: -870.976120 where: bonds (distance) C4'-P energy: -171.640 bonds (distance) P-C4' energy: -175.484 flat angles C4'-P-C4' energy: -187.445 flat angles P-C4'-P energy: -112.039 tors. eta vs tors. theta energy: -224.368 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: 96 Temperature: 0.950000 Total energy: -2520.792318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.792318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.792318 (E_RNA) where: Base-Base interactions energy: -1714.801 where: short stacking energy: -748.196 Base-Backbone interact. energy: -6.619 local terms energy: -799.372206 where: bonds (distance) C4'-P energy: -148.616 bonds (distance) P-C4' energy: -157.285 flat angles C4'-P-C4' energy: -180.638 flat angles P-C4'-P energy: -111.386 tors. eta vs tors. theta energy: -201.447 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: 7 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2345.138209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.138209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.138209 (E_RNA) where: Base-Base interactions energy: -1549.620 where: short stacking energy: -669.551 Base-Backbone interact. energy: -2.453 local terms energy: -793.065116 where: bonds (distance) C4'-P energy: -134.613 bonds (distance) P-C4' energy: -162.645 flat angles C4'-P-C4' energy: -169.368 flat angles P-C4'-P energy: -117.575 tors. eta vs tors. theta energy: -208.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2226.258531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.258531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.258531 (E_RNA) where: Base-Base interactions energy: -1469.538 where: short stacking energy: -614.184 Base-Backbone interact. energy: 2.959 local terms energy: -759.679632 where: bonds (distance) C4'-P energy: -160.338 bonds (distance) P-C4' energy: -161.532 flat angles C4'-P-C4' energy: -177.578 flat angles P-C4'-P energy: -104.094 tors. eta vs tors. theta energy: -156.138 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: 96 Temperature: 1.100000 Total energy: -2081.310019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.310019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.310019 (E_RNA) where: Base-Base interactions energy: -1381.244 where: short stacking energy: -602.389 Base-Backbone interact. energy: -4.079 local terms energy: -695.987525 where: bonds (distance) C4'-P energy: -123.391 bonds (distance) P-C4' energy: -153.852 flat angles C4'-P-C4' energy: -163.811 flat angles P-C4'-P energy: -103.321 tors. eta vs tors. theta energy: -151.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1894.686346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.686346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.686346 (E_RNA) where: Base-Base interactions energy: -1236.636 where: short stacking energy: -543.211 Base-Backbone interact. energy: -1.463 local terms energy: -656.587124 where: bonds (distance) C4'-P energy: -126.100 bonds (distance) P-C4' energy: -150.175 flat angles C4'-P-C4' energy: -150.577 flat angles P-C4'-P energy: -90.142 tors. eta vs tors. theta energy: -139.592 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: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1735.979065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.979065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.979065 (E_RNA) where: Base-Base interactions energy: -1141.718 where: short stacking energy: -486.805 Base-Backbone interact. energy: -2.566 local terms energy: -591.695344 where: bonds (distance) C4'-P energy: -136.550 bonds (distance) P-C4' energy: -115.106 flat angles C4'-P-C4' energy: -149.055 flat angles P-C4'-P energy: -88.484 tors. eta vs tors. theta energy: -102.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1240.178302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.178302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.178302 (E_RNA) where: Base-Base interactions energy: -736.547 where: short stacking energy: -348.511 Base-Backbone interact. energy: 0.433 local terms energy: -504.064097 where: bonds (distance) C4'-P energy: -125.139 bonds (distance) P-C4' energy: -138.860 flat angles C4'-P-C4' energy: -128.236 flat angles P-C4'-P energy: -67.753 tors. eta vs tors. theta energy: -44.076 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: 10 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -882.425922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.425922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.425922 (E_RNA) where: Base-Base interactions energy: -411.884 where: short stacking energy: -237.654 Base-Backbone interact. energy: 1.527 local terms energy: -472.068570 where: bonds (distance) C4'-P energy: -120.048 bonds (distance) P-C4' energy: -153.005 flat angles C4'-P-C4' energy: -108.186 flat angles P-C4'-P energy: -90.153 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -727.079180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.079180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.079180 (E_RNA) where: Base-Base interactions energy: -299.912 where: short stacking energy: -204.281 Base-Backbone interact. energy: 8.784 local terms energy: -435.951475 where: bonds (distance) C4'-P energy: -123.095 bonds (distance) P-C4' energy: -150.583 flat angles C4'-P-C4' energy: -105.713 flat angles P-C4'-P energy: -72.696 tors. eta vs tors. theta energy: 16.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2711.574031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.574031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.574031 (E_RNA) where: Base-Base interactions energy: -1826.384 where: short stacking energy: -811.203 Base-Backbone interact. energy: 0.226 local terms energy: -885.416397 where: bonds (distance) C4'-P energy: -164.488 bonds (distance) P-C4' energy: -176.574 flat angles C4'-P-C4' energy: -189.689 flat angles P-C4'-P energy: -124.022 tors. eta vs tors. theta energy: -230.644 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: 97 Temperature: 0.950000 Total energy: -2522.046791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.046791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.046791 (E_RNA) where: Base-Base interactions energy: -1719.593 where: short stacking energy: -737.338 Base-Backbone interact. energy: -4.715 local terms energy: -797.739578 where: bonds (distance) C4'-P energy: -159.070 bonds (distance) P-C4' energy: -150.655 flat angles C4'-P-C4' energy: -172.598 flat angles P-C4'-P energy: -111.114 tors. eta vs tors. theta energy: -204.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2346.786131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.786131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.786131 (E_RNA) where: Base-Base interactions energy: -1568.975 where: short stacking energy: -705.225 Base-Backbone interact. energy: 1.449 local terms energy: -779.259495 where: bonds (distance) C4'-P energy: -156.915 bonds (distance) P-C4' energy: -152.750 flat angles C4'-P-C4' energy: -164.575 flat angles P-C4'-P energy: -110.717 tors. eta vs tors. theta energy: -194.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2162.157305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.157305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.157305 (E_RNA) where: Base-Base interactions energy: -1468.733 where: short stacking energy: -613.914 Base-Backbone interact. energy: 1.252 local terms energy: -694.675967 where: bonds (distance) C4'-P energy: -141.682 bonds (distance) P-C4' energy: -156.712 flat angles C4'-P-C4' energy: -157.905 flat angles P-C4'-P energy: -79.392 tors. eta vs tors. theta energy: -158.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2030.703012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.703012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.703012 (E_RNA) where: Base-Base interactions energy: -1306.538 where: short stacking energy: -585.268 Base-Backbone interact. energy: -0.735 local terms energy: -723.430413 where: bonds (distance) C4'-P energy: -136.982 bonds (distance) P-C4' energy: -145.409 flat angles C4'-P-C4' energy: -177.072 flat angles P-C4'-P energy: -111.031 tors. eta vs tors. theta energy: -152.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1906.351719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.351719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.351719 (E_RNA) where: Base-Base interactions energy: -1241.845 where: short stacking energy: -589.266 Base-Backbone interact. energy: 1.029 local terms energy: -665.535926 where: bonds (distance) C4'-P energy: -138.198 bonds (distance) P-C4' energy: -132.781 flat angles C4'-P-C4' energy: -169.282 flat angles P-C4'-P energy: -85.749 tors. eta vs tors. theta energy: -139.526 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: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1791.303487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.303487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.303487 (E_RNA) where: Base-Base interactions energy: -1192.225 where: short stacking energy: -472.981 Base-Backbone interact. energy: -1.658 local terms energy: -597.420065 where: bonds (distance) C4'-P energy: -137.255 bonds (distance) P-C4' energy: -138.371 flat angles C4'-P-C4' energy: -128.322 flat angles P-C4'-P energy: -84.536 tors. eta vs tors. theta energy: -108.937 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: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1340.984131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.984131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.984131 (E_RNA) where: Base-Base interactions energy: -784.059 where: short stacking energy: -362.670 Base-Backbone interact. energy: -1.478 local terms energy: -555.446280 where: bonds (distance) C4'-P energy: -135.893 bonds (distance) P-C4' energy: -154.653 flat angles C4'-P-C4' energy: -130.256 flat angles P-C4'-P energy: -80.973 tors. eta vs tors. theta energy: -53.670 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: 10 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -877.331914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.331914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.331914 (E_RNA) where: Base-Base interactions energy: -436.136 where: short stacking energy: -252.441 Base-Backbone interact. energy: 0.206 local terms energy: -441.401789 where: bonds (distance) C4'-P energy: -117.396 bonds (distance) P-C4' energy: -128.732 flat angles C4'-P-C4' energy: -131.872 flat angles P-C4'-P energy: -64.454 tors. eta vs tors. theta energy: 1.052 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: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -743.251455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.251455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.251455 (E_RNA) where: Base-Base interactions energy: -311.110 where: short stacking energy: -210.113 Base-Backbone interact. energy: 3.794 local terms energy: -435.935681 where: bonds (distance) C4'-P energy: -129.400 bonds (distance) P-C4' energy: -138.804 flat angles C4'-P-C4' energy: -113.093 flat angles P-C4'-P energy: -77.894 tors. eta vs tors. theta energy: 23.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2709.189678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.189678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.189678 (E_RNA) where: Base-Base interactions energy: -1806.722 where: short stacking energy: -783.564 Base-Backbone interact. energy: -4.645 local terms energy: -897.822193 where: bonds (distance) C4'-P energy: -174.398 bonds (distance) P-C4' energy: -174.417 flat angles C4'-P-C4' energy: -193.076 flat angles P-C4'-P energy: -125.142 tors. eta vs tors. theta energy: -230.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2531.056740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.056740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.056740 (E_RNA) where: Base-Base interactions energy: -1708.642 where: short stacking energy: -759.404 Base-Backbone interact. energy: -8.108 local terms energy: -814.306779 where: bonds (distance) C4'-P energy: -149.250 bonds (distance) P-C4' energy: -158.048 flat angles C4'-P-C4' energy: -186.377 flat angles P-C4'-P energy: -103.655 tors. eta vs tors. theta energy: -216.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2348.480341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.480341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.480341 (E_RNA) where: Base-Base interactions energy: -1551.241 where: short stacking energy: -694.275 Base-Backbone interact. energy: -2.776 local terms energy: -794.463231 where: bonds (distance) C4'-P energy: -156.216 bonds (distance) P-C4' energy: -158.355 flat angles C4'-P-C4' energy: -174.966 flat angles P-C4'-P energy: -103.856 tors. eta vs tors. theta energy: -201.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2138.666166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.666166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.666166 (E_RNA) where: Base-Base interactions energy: -1430.359 where: short stacking energy: -621.167 Base-Backbone interact. energy: 1.082 local terms energy: -709.388992 where: bonds (distance) C4'-P energy: -145.894 bonds (distance) P-C4' energy: -144.202 flat angles C4'-P-C4' energy: -166.678 flat angles P-C4'-P energy: -110.860 tors. eta vs tors. theta energy: -141.754 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: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2051.558742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.558742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.558742 (E_RNA) where: Base-Base interactions energy: -1336.692 where: short stacking energy: -611.964 Base-Backbone interact. energy: -4.027 local terms energy: -710.839199 where: bonds (distance) C4'-P energy: -134.677 bonds (distance) P-C4' energy: -168.037 flat angles C4'-P-C4' energy: -156.443 flat angles P-C4'-P energy: -111.125 tors. eta vs tors. theta energy: -140.558 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: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1891.011763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.011763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.011763 (E_RNA) where: Base-Base interactions energy: -1212.594 where: short stacking energy: -549.279 Base-Backbone interact. energy: -1.629 local terms energy: -676.788058 where: bonds (distance) C4'-P energy: -128.678 bonds (distance) P-C4' energy: -135.343 flat angles C4'-P-C4' energy: -155.248 flat angles P-C4'-P energy: -101.690 tors. eta vs tors. theta energy: -155.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1853.732043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.732043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.732043 (E_RNA) where: Base-Base interactions energy: -1200.324 where: short stacking energy: -519.964 Base-Backbone interact. energy: -1.490 local terms energy: -651.918080 where: bonds (distance) C4'-P energy: -128.691 bonds (distance) P-C4' energy: -147.105 flat angles C4'-P-C4' energy: -159.644 flat angles P-C4'-P energy: -86.481 tors. eta vs tors. theta energy: -129.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1310.655115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.655115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.655115 (E_RNA) where: Base-Base interactions energy: -787.685 where: short stacking energy: -372.708 Base-Backbone interact. energy: -1.142 local terms energy: -521.828338 where: bonds (distance) C4'-P energy: -123.771 bonds (distance) P-C4' energy: -136.983 flat angles C4'-P-C4' energy: -131.487 flat angles P-C4'-P energy: -75.699 tors. eta vs tors. theta energy: -53.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -879.372084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.372084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.372084 (E_RNA) where: Base-Base interactions energy: -445.080 where: short stacking energy: -252.056 Base-Backbone interact. energy: 3.702 local terms energy: -437.993634 where: bonds (distance) C4'-P energy: -130.273 bonds (distance) P-C4' energy: -135.246 flat angles C4'-P-C4' energy: -128.826 flat angles P-C4'-P energy: -43.653 tors. eta vs tors. theta energy: 0.004 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: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -698.002260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.002260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.002260 (E_RNA) where: Base-Base interactions energy: -297.692 where: short stacking energy: -202.414 Base-Backbone interact. energy: -0.374 local terms energy: -399.936047 where: bonds (distance) C4'-P energy: -151.314 bonds (distance) P-C4' energy: -135.922 flat angles C4'-P-C4' energy: -107.187 flat angles P-C4'-P energy: -40.347 tors. eta vs tors. theta energy: 34.833 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: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2690.095076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.095076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.095076 (E_RNA) where: Base-Base interactions energy: -1815.033 where: short stacking energy: -824.165 Base-Backbone interact. energy: -7.065 local terms energy: -867.996297 where: bonds (distance) C4'-P energy: -157.646 bonds (distance) P-C4' energy: -164.485 flat angles C4'-P-C4' energy: -190.660 flat angles P-C4'-P energy: -122.183 tors. eta vs tors. theta energy: -233.021 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: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2529.726040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.726040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.726040 (E_RNA) where: Base-Base interactions energy: -1695.099 where: short stacking energy: -744.282 Base-Backbone interact. energy: 5.398 local terms energy: -840.024499 where: bonds (distance) C4'-P energy: -167.971 bonds (distance) P-C4' energy: -172.431 flat angles C4'-P-C4' energy: -173.920 flat angles P-C4'-P energy: -121.512 tors. eta vs tors. theta energy: -204.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2430.236792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.236792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.236792 (E_RNA) where: Base-Base interactions energy: -1602.503 where: short stacking energy: -736.242 Base-Backbone interact. energy: -3.641 local terms energy: -824.092831 where: bonds (distance) C4'-P energy: -155.325 bonds (distance) P-C4' energy: -163.308 flat angles C4'-P-C4' energy: -171.262 flat angles P-C4'-P energy: -115.946 tors. eta vs tors. theta energy: -218.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2192.525393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.525393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.525393 (E_RNA) where: Base-Base interactions energy: -1477.320 where: short stacking energy: -624.861 Base-Backbone interact. energy: -0.989 local terms energy: -714.217016 where: bonds (distance) C4'-P energy: -139.016 bonds (distance) P-C4' energy: -143.131 flat angles C4'-P-C4' energy: -172.161 flat angles P-C4'-P energy: -97.637 tors. eta vs tors. theta energy: -162.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1914.886751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.886751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.886751 (E_RNA) where: Base-Base interactions energy: -1226.276 where: short stacking energy: -534.728 Base-Backbone interact. energy: 0.571 local terms energy: -689.181412 where: bonds (distance) C4'-P energy: -159.332 bonds (distance) P-C4' energy: -163.631 flat angles C4'-P-C4' energy: -153.977 flat angles P-C4'-P energy: -93.324 tors. eta vs tors. theta energy: -118.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1885.108382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.108382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.108382 (E_RNA) where: Base-Base interactions energy: -1201.186 where: short stacking energy: -557.214 Base-Backbone interact. energy: -3.570 local terms energy: -680.352412 where: bonds (distance) C4'-P energy: -143.596 bonds (distance) P-C4' energy: -146.961 flat angles C4'-P-C4' energy: -145.564 flat angles P-C4'-P energy: -96.080 tors. eta vs tors. theta energy: -148.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1810.835237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.835237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.835237 (E_RNA) where: Base-Base interactions energy: -1182.804 where: short stacking energy: -542.197 Base-Backbone interact. energy: 1.710 local terms energy: -629.741345 where: bonds (distance) C4'-P energy: -144.573 bonds (distance) P-C4' energy: -143.417 flat angles C4'-P-C4' energy: -135.443 flat angles P-C4'-P energy: -84.461 tors. eta vs tors. theta energy: -121.847 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: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1328.361417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.361417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.361417 (E_RNA) where: Base-Base interactions energy: -776.425 where: short stacking energy: -381.424 Base-Backbone interact. energy: -3.447 local terms energy: -548.489369 where: bonds (distance) C4'-P energy: -132.823 bonds (distance) P-C4' energy: -146.523 flat angles C4'-P-C4' energy: -132.405 flat angles P-C4'-P energy: -93.266 tors. eta vs tors. theta energy: -43.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -866.854046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.854046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.854046 (E_RNA) where: Base-Base interactions energy: -392.613 where: short stacking energy: -238.832 Base-Backbone interact. energy: -2.073 local terms energy: -472.168286 where: bonds (distance) C4'-P energy: -140.306 bonds (distance) P-C4' energy: -139.592 flat angles C4'-P-C4' energy: -111.112 flat angles P-C4'-P energy: -64.267 tors. eta vs tors. theta energy: -16.890 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: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -756.115214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.115214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.115214 (E_RNA) where: Base-Base interactions energy: -337.402 where: short stacking energy: -206.826 Base-Backbone interact. energy: 6.975 local terms energy: -425.689005 where: bonds (distance) C4'-P energy: -129.377 bonds (distance) P-C4' energy: -132.878 flat angles C4'-P-C4' energy: -106.985 flat angles P-C4'-P energy: -78.620 tors. eta vs tors. theta energy: 22.171 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: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2694.941427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.941427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.941427 (E_RNA) where: Base-Base interactions energy: -1816.129 where: short stacking energy: -834.239 Base-Backbone interact. energy: -2.789 local terms energy: -876.024082 where: bonds (distance) C4'-P energy: -169.342 bonds (distance) P-C4' energy: -168.445 flat angles C4'-P-C4' energy: -189.276 flat angles P-C4'-P energy: -114.953 tors. eta vs tors. theta energy: -234.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2550.430052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.430052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.430052 (E_RNA) where: Base-Base interactions energy: -1736.702 where: short stacking energy: -739.984 Base-Backbone interact. energy: -8.725 local terms energy: -805.004021 where: bonds (distance) C4'-P energy: -153.946 bonds (distance) P-C4' energy: -150.500 flat angles C4'-P-C4' energy: -186.332 flat angles P-C4'-P energy: -115.858 tors. eta vs tors. theta energy: -198.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2379.603559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.603559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.603559 (E_RNA) where: Base-Base interactions energy: -1554.229 where: short stacking energy: -692.137 Base-Backbone interact. energy: -3.887 local terms energy: -821.488159 where: bonds (distance) C4'-P energy: -161.031 bonds (distance) P-C4' energy: -165.750 flat angles C4'-P-C4' energy: -160.515 flat angles P-C4'-P energy: -125.424 tors. eta vs tors. theta energy: -208.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2162.281593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.281593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.281593 (E_RNA) where: Base-Base interactions energy: -1448.475 where: short stacking energy: -617.366 Base-Backbone interact. energy: 0.987 local terms energy: -714.794204 where: bonds (distance) C4'-P energy: -166.101 bonds (distance) P-C4' energy: -130.499 flat angles C4'-P-C4' energy: -175.294 flat angles P-C4'-P energy: -75.834 tors. eta vs tors. theta energy: -167.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1987.117426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.117426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.117426 (E_RNA) where: Base-Base interactions energy: -1265.799 where: short stacking energy: -560.479 Base-Backbone interact. energy: -1.641 local terms energy: -719.677403 where: bonds (distance) C4'-P energy: -153.860 bonds (distance) P-C4' energy: -142.619 flat angles C4'-P-C4' energy: -186.196 flat angles P-C4'-P energy: -94.844 tors. eta vs tors. theta energy: -142.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1909.822986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.822986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.822986 (E_RNA) where: Base-Base interactions energy: -1214.958 where: short stacking energy: -547.596 Base-Backbone interact. energy: -1.960 local terms energy: -692.904936 where: bonds (distance) C4'-P energy: -138.712 bonds (distance) P-C4' energy: -150.387 flat angles C4'-P-C4' energy: -162.537 flat angles P-C4'-P energy: -96.292 tors. eta vs tors. theta energy: -144.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1790.960241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.960241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.960241 (E_RNA) where: Base-Base interactions energy: -1152.241 where: short stacking energy: -486.277 Base-Backbone interact. energy: -3.518 local terms energy: -635.201067 where: bonds (distance) C4'-P energy: -127.382 bonds (distance) P-C4' energy: -156.403 flat angles C4'-P-C4' energy: -154.215 flat angles P-C4'-P energy: -81.180 tors. eta vs tors. theta energy: -116.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1384.268910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.268910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.268910 (E_RNA) where: Base-Base interactions energy: -850.476 where: short stacking energy: -381.444 Base-Backbone interact. energy: 3.965 local terms energy: -537.757624 where: bonds (distance) C4'-P energy: -125.233 bonds (distance) P-C4' energy: -133.239 flat angles C4'-P-C4' energy: -128.183 flat angles P-C4'-P energy: -92.535 tors. eta vs tors. theta energy: -58.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -852.268032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.268032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.268032 (E_RNA) where: Base-Base interactions energy: -381.056 where: short stacking energy: -213.646 Base-Backbone interact. energy: 1.194 local terms energy: -472.405479 where: bonds (distance) C4'-P energy: -145.731 bonds (distance) P-C4' energy: -136.884 flat angles C4'-P-C4' energy: -122.792 flat angles P-C4'-P energy: -78.191 tors. eta vs tors. theta energy: 11.192 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: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -723.552585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.552585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.552585 (E_RNA) where: Base-Base interactions energy: -340.208 where: short stacking energy: -246.614 Base-Backbone interact. energy: 0.555 local terms energy: -383.899173 where: bonds (distance) C4'-P energy: -112.169 bonds (distance) P-C4' energy: -138.736 flat angles C4'-P-C4' energy: -105.402 flat angles P-C4'-P energy: -29.852 tors. eta vs tors. theta energy: 2.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2680.899767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.899767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.899767 (E_RNA) where: Base-Base interactions energy: -1789.319 where: short stacking energy: -815.814 Base-Backbone interact. energy: -2.631 local terms energy: -888.949929 where: bonds (distance) C4'-P energy: -169.161 bonds (distance) P-C4' energy: -160.686 flat angles C4'-P-C4' energy: -198.809 flat angles P-C4'-P energy: -122.939 tors. eta vs tors. theta energy: -237.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2568.958687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.958687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.958687 (E_RNA) where: Base-Base interactions energy: -1719.354 where: short stacking energy: -717.991 Base-Backbone interact. energy: -8.442 local terms energy: -841.162512 where: bonds (distance) C4'-P energy: -175.756 bonds (distance) P-C4' energy: -164.468 flat angles C4'-P-C4' energy: -186.751 flat angles P-C4'-P energy: -115.926 tors. eta vs tors. theta energy: -198.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2360.585680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.585680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.585680 (E_RNA) where: Base-Base interactions energy: -1568.029 where: short stacking energy: -684.343 Base-Backbone interact. energy: -1.704 local terms energy: -790.852676 where: bonds (distance) C4'-P energy: -159.386 bonds (distance) P-C4' energy: -154.740 flat angles C4'-P-C4' energy: -169.267 flat angles P-C4'-P energy: -110.985 tors. eta vs tors. theta energy: -196.474 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: 101 Temperature: 1.050000 Total energy: -2172.071414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.071414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.071414 (E_RNA) where: Base-Base interactions energy: -1466.067 where: short stacking energy: -598.861 Base-Backbone interact. energy: -0.497 local terms energy: -705.508020 where: bonds (distance) C4'-P energy: -144.708 bonds (distance) P-C4' energy: -143.905 flat angles C4'-P-C4' energy: -165.954 flat angles P-C4'-P energy: -98.694 tors. eta vs tors. theta energy: -152.247 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: 101 Temperature: 1.100000 Total energy: -1995.107295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.107295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.107295 (E_RNA) where: Base-Base interactions energy: -1267.254 where: short stacking energy: -584.142 Base-Backbone interact. energy: 0.074 local terms energy: -727.927566 where: bonds (distance) C4'-P energy: -150.859 bonds (distance) P-C4' energy: -148.231 flat angles C4'-P-C4' energy: -152.199 flat angles P-C4'-P energy: -112.483 tors. eta vs tors. theta energy: -164.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1907.840413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.840413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.840413 (E_RNA) where: Base-Base interactions energy: -1244.967 where: short stacking energy: -552.552 Base-Backbone interact. energy: 2.033 local terms energy: -664.907071 where: bonds (distance) C4'-P energy: -140.204 bonds (distance) P-C4' energy: -145.572 flat angles C4'-P-C4' energy: -160.443 flat angles P-C4'-P energy: -82.494 tors. eta vs tors. theta energy: -136.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1783.979148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.979148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.979148 (E_RNA) where: Base-Base interactions energy: -1151.135 where: short stacking energy: -482.727 Base-Backbone interact. energy: -1.485 local terms energy: -631.359533 where: bonds (distance) C4'-P energy: -144.954 bonds (distance) P-C4' energy: -125.511 flat angles C4'-P-C4' energy: -143.944 flat angles P-C4'-P energy: -92.007 tors. eta vs tors. theta energy: -124.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1414.744673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.744673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.744673 (E_RNA) where: Base-Base interactions energy: -850.793 where: short stacking energy: -393.750 Base-Backbone interact. energy: -0.292 local terms energy: -563.659340 where: bonds (distance) C4'-P energy: -137.141 bonds (distance) P-C4' energy: -135.867 flat angles C4'-P-C4' energy: -133.914 flat angles P-C4'-P energy: -79.398 tors. eta vs tors. theta energy: -77.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -829.921688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.921688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.921688 (E_RNA) where: Base-Base interactions energy: -354.625 where: short stacking energy: -217.213 Base-Backbone interact. energy: 0.414 local terms energy: -475.710375 where: bonds (distance) C4'-P energy: -139.399 bonds (distance) P-C4' energy: -142.415 flat angles C4'-P-C4' energy: -130.484 flat angles P-C4'-P energy: -65.446 tors. eta vs tors. theta energy: 2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -716.252387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.252387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.252387 (E_RNA) where: Base-Base interactions energy: -295.780 where: short stacking energy: -190.302 Base-Backbone interact. energy: 1.541 local terms energy: -422.013279 where: bonds (distance) C4'-P energy: -150.060 bonds (distance) P-C4' energy: -122.954 flat angles C4'-P-C4' energy: -110.181 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: 22.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2723.089145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.089145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.089145 (E_RNA) where: Base-Base interactions energy: -1842.205 where: short stacking energy: -831.186 Base-Backbone interact. energy: -3.623 local terms energy: -877.261124 where: bonds (distance) C4'-P energy: -156.141 bonds (distance) P-C4' energy: -166.294 flat angles C4'-P-C4' energy: -189.224 flat angles P-C4'-P energy: -121.289 tors. eta vs tors. theta energy: -244.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2553.446521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.446521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.446521 (E_RNA) where: Base-Base interactions energy: -1724.681 where: short stacking energy: -709.192 Base-Backbone interact. energy: -2.800 local terms energy: -825.965205 where: bonds (distance) C4'-P energy: -151.836 bonds (distance) P-C4' energy: -181.644 flat angles C4'-P-C4' energy: -182.982 flat angles P-C4'-P energy: -116.454 tors. eta vs tors. theta energy: -193.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2398.913894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.913894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.913894 (E_RNA) where: Base-Base interactions energy: -1580.221 where: short stacking energy: -703.818 Base-Backbone interact. energy: -0.587 local terms energy: -818.106269 where: bonds (distance) C4'-P energy: -179.374 bonds (distance) P-C4' energy: -153.946 flat angles C4'-P-C4' energy: -175.577 flat angles P-C4'-P energy: -108.360 tors. eta vs tors. theta energy: -200.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2154.539059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.539059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.539059 (E_RNA) where: Base-Base interactions energy: -1439.471 where: short stacking energy: -621.114 Base-Backbone interact. energy: 1.159 local terms energy: -716.227082 where: bonds (distance) C4'-P energy: -144.458 bonds (distance) P-C4' energy: -158.811 flat angles C4'-P-C4' energy: -176.953 flat angles P-C4'-P energy: -92.486 tors. eta vs tors. theta energy: -143.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2065.160100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.160100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.160100 (E_RNA) where: Base-Base interactions energy: -1357.790 where: short stacking energy: -586.638 Base-Backbone interact. energy: -4.865 local terms energy: -702.505307 where: bonds (distance) C4'-P energy: -127.210 bonds (distance) P-C4' energy: -154.696 flat angles C4'-P-C4' energy: -151.837 flat angles P-C4'-P energy: -109.430 tors. eta vs tors. theta energy: -159.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1913.158499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.158499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.158499 (E_RNA) where: Base-Base interactions energy: -1238.375 where: short stacking energy: -560.719 Base-Backbone interact. energy: -3.187 local terms energy: -671.596958 where: bonds (distance) C4'-P energy: -133.450 bonds (distance) P-C4' energy: -144.153 flat angles C4'-P-C4' energy: -176.575 flat angles P-C4'-P energy: -99.898 tors. eta vs tors. theta energy: -117.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1786.466971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.466971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.466971 (E_RNA) where: Base-Base interactions energy: -1151.579 where: short stacking energy: -507.733 Base-Backbone interact. energy: 2.850 local terms energy: -637.738696 where: bonds (distance) C4'-P energy: -132.992 bonds (distance) P-C4' energy: -124.460 flat angles C4'-P-C4' energy: -164.031 flat angles P-C4'-P energy: -88.005 tors. eta vs tors. theta energy: -128.251 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: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1329.128813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.128813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.128813 (E_RNA) where: Base-Base interactions energy: -789.835 where: short stacking energy: -380.817 Base-Backbone interact. energy: -2.361 local terms energy: -536.933029 where: bonds (distance) C4'-P energy: -115.506 bonds (distance) P-C4' energy: -151.978 flat angles C4'-P-C4' energy: -125.118 flat angles P-C4'-P energy: -80.989 tors. eta vs tors. theta energy: -63.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -830.739966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.739966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.739966 (E_RNA) where: Base-Base interactions energy: -378.624 where: short stacking energy: -230.913 Base-Backbone interact. energy: 0.714 local terms energy: -452.829742 where: bonds (distance) C4'-P energy: -127.553 bonds (distance) P-C4' energy: -137.116 flat angles C4'-P-C4' energy: -120.204 flat angles P-C4'-P energy: -76.182 tors. eta vs tors. theta energy: 8.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -725.505727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.505727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.505727 (E_RNA) where: Base-Base interactions energy: -283.695 where: short stacking energy: -197.464 Base-Backbone interact. energy: 8.815 local terms energy: -450.624922 where: bonds (distance) C4'-P energy: -142.987 bonds (distance) P-C4' energy: -156.249 flat angles C4'-P-C4' energy: -96.641 flat angles P-C4'-P energy: -66.484 tors. eta vs tors. theta energy: 11.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2678.710728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.710728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.710728 (E_RNA) where: Base-Base interactions energy: -1815.799 where: short stacking energy: -809.353 Base-Backbone interact. energy: -2.822 local terms energy: -860.090171 where: bonds (distance) C4'-P energy: -155.064 bonds (distance) P-C4' energy: -172.619 flat angles C4'-P-C4' energy: -172.170 flat angles P-C4'-P energy: -124.322 tors. eta vs tors. theta energy: -235.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2554.312309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.312309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.312309 (E_RNA) where: Base-Base interactions energy: -1754.909 where: short stacking energy: -725.783 Base-Backbone interact. energy: -5.795 local terms energy: -793.607754 where: bonds (distance) C4'-P energy: -161.085 bonds (distance) P-C4' energy: -159.554 flat angles C4'-P-C4' energy: -176.792 flat angles P-C4'-P energy: -95.005 tors. eta vs tors. theta energy: -201.172 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: 3, replica: 7 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2346.029723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.029723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.029723 (E_RNA) where: Base-Base interactions energy: -1560.264 where: short stacking energy: -693.392 Base-Backbone interact. energy: -0.503 local terms energy: -785.262741 where: bonds (distance) C4'-P energy: -162.176 bonds (distance) P-C4' energy: -144.347 flat angles C4'-P-C4' energy: -176.607 flat angles P-C4'-P energy: -105.197 tors. eta vs tors. theta energy: -196.936 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: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2068.610811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.610811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.610811 (E_RNA) where: Base-Base interactions energy: -1377.189 where: short stacking energy: -586.000 Base-Backbone interact. energy: -2.501 local terms energy: -688.921186 where: bonds (distance) C4'-P energy: -136.242 bonds (distance) P-C4' energy: -152.884 flat angles C4'-P-C4' energy: -153.472 flat angles P-C4'-P energy: -103.832 tors. eta vs tors. theta energy: -142.491 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: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2067.731552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.731552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.731552 (E_RNA) where: Base-Base interactions energy: -1362.204 where: short stacking energy: -622.611 Base-Backbone interact. energy: -3.520 local terms energy: -702.007961 where: bonds (distance) C4'-P energy: -151.929 bonds (distance) P-C4' energy: -161.587 flat angles C4'-P-C4' energy: -162.120 flat angles P-C4'-P energy: -86.266 tors. eta vs tors. theta energy: -140.105 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: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1971.506843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.506843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.506843 (E_RNA) where: Base-Base interactions energy: -1264.636 where: short stacking energy: -604.276 Base-Backbone interact. energy: 1.367 local terms energy: -708.238281 where: bonds (distance) C4'-P energy: -144.916 bonds (distance) P-C4' energy: -152.181 flat angles C4'-P-C4' energy: -159.907 flat angles P-C4'-P energy: -90.671 tors. eta vs tors. theta energy: -160.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1632.914097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.914097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.914097 (E_RNA) where: Base-Base interactions energy: -1064.803 where: short stacking energy: -481.065 Base-Backbone interact. energy: 0.842 local terms energy: -568.952646 where: bonds (distance) C4'-P energy: -145.112 bonds (distance) P-C4' energy: -130.769 flat angles C4'-P-C4' energy: -118.142 flat angles P-C4'-P energy: -83.090 tors. eta vs tors. theta energy: -91.840 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: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1346.088745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.088745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.088745 (E_RNA) where: Base-Base interactions energy: -783.545 where: short stacking energy: -382.021 Base-Backbone interact. energy: 0.098 local terms energy: -562.641697 where: bonds (distance) C4'-P energy: -151.589 bonds (distance) P-C4' energy: -143.058 flat angles C4'-P-C4' energy: -129.343 flat angles P-C4'-P energy: -79.263 tors. eta vs tors. theta energy: -59.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -826.403511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.403511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.403511 (E_RNA) where: Base-Base interactions energy: -364.831 where: short stacking energy: -230.336 Base-Backbone interact. energy: 0.078 local terms energy: -461.650777 where: bonds (distance) C4'-P energy: -134.348 bonds (distance) P-C4' energy: -138.501 flat angles C4'-P-C4' energy: -123.744 flat angles P-C4'-P energy: -67.797 tors. eta vs tors. theta energy: 2.739 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: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -793.254140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.254140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.254140 (E_RNA) where: Base-Base interactions energy: -385.928 where: short stacking energy: -228.312 Base-Backbone interact. energy: -0.033 local terms energy: -407.292681 where: bonds (distance) C4'-P energy: -124.330 bonds (distance) P-C4' energy: -126.626 flat angles C4'-P-C4' energy: -141.662 flat angles P-C4'-P energy: -57.586 tors. eta vs tors. theta energy: 42.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2696.467238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.467238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.467238 (E_RNA) where: Base-Base interactions energy: -1832.318 where: short stacking energy: -832.195 Base-Backbone interact. energy: -1.387 local terms energy: -862.762664 where: bonds (distance) C4'-P energy: -160.637 bonds (distance) P-C4' energy: -162.896 flat angles C4'-P-C4' energy: -186.317 flat angles P-C4'-P energy: -122.825 tors. eta vs tors. theta energy: -230.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2531.814525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.814525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.814525 (E_RNA) where: Base-Base interactions energy: -1730.351 where: short stacking energy: -744.087 Base-Backbone interact. energy: -3.547 local terms energy: -797.916964 where: bonds (distance) C4'-P energy: -140.650 bonds (distance) P-C4' energy: -157.671 flat angles C4'-P-C4' energy: -181.865 flat angles P-C4'-P energy: -111.391 tors. eta vs tors. theta energy: -206.340 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: 3, replica: 7 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2421.852027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.852027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.852027 (E_RNA) where: Base-Base interactions energy: -1624.782 where: short stacking energy: -732.633 Base-Backbone interact. energy: -2.511 local terms energy: -794.558462 where: bonds (distance) C4'-P energy: -163.192 bonds (distance) P-C4' energy: -153.140 flat angles C4'-P-C4' energy: -160.664 flat angles P-C4'-P energy: -110.151 tors. eta vs tors. theta energy: -207.411 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: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2183.595952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.595952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.595952 (E_RNA) where: Base-Base interactions energy: -1451.807 where: short stacking energy: -612.392 Base-Backbone interact. energy: -1.823 local terms energy: -729.965684 where: bonds (distance) C4'-P energy: -143.367 bonds (distance) P-C4' energy: -164.814 flat angles C4'-P-C4' energy: -163.188 flat angles P-C4'-P energy: -116.183 tors. eta vs tors. theta energy: -142.413 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: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2015.834284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.834284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.834284 (E_RNA) where: Base-Base interactions energy: -1308.020 where: short stacking energy: -594.214 Base-Backbone interact. energy: -1.634 local terms energy: -706.179939 where: bonds (distance) C4'-P energy: -139.917 bonds (distance) P-C4' energy: -152.564 flat angles C4'-P-C4' energy: -172.384 flat angles P-C4'-P energy: -88.584 tors. eta vs tors. theta energy: -152.730 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: 6, replica: 2 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2029.751153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.751153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.751153 (E_RNA) where: Base-Base interactions energy: -1281.465 where: short stacking energy: -577.366 Base-Backbone interact. energy: 2.312 local terms energy: -750.598267 where: bonds (distance) C4'-P energy: -159.903 bonds (distance) P-C4' energy: -137.974 flat angles C4'-P-C4' energy: -163.902 flat angles P-C4'-P energy: -106.312 tors. eta vs tors. theta energy: -182.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1726.887416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.887416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.887416 (E_RNA) where: Base-Base interactions energy: -1099.980 where: short stacking energy: -511.952 Base-Backbone interact. energy: 2.162 local terms energy: -629.069690 where: bonds (distance) C4'-P energy: -142.626 bonds (distance) P-C4' energy: -148.583 flat angles C4'-P-C4' energy: -145.208 flat angles P-C4'-P energy: -79.853 tors. eta vs tors. theta energy: -112.800 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: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1433.575494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.575494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.575494 (E_RNA) where: Base-Base interactions energy: -877.560 where: short stacking energy: -399.617 Base-Backbone interact. energy: 0.367 local terms energy: -556.383025 where: bonds (distance) C4'-P energy: -121.712 bonds (distance) P-C4' energy: -138.944 flat angles C4'-P-C4' energy: -141.648 flat angles P-C4'-P energy: -86.097 tors. eta vs tors. theta energy: -67.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -873.930049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.930049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.930049 (E_RNA) where: Base-Base interactions energy: -426.409 where: short stacking energy: -230.086 Base-Backbone interact. energy: 4.532 local terms energy: -452.052797 where: bonds (distance) C4'-P energy: -129.873 bonds (distance) P-C4' energy: -144.682 flat angles C4'-P-C4' energy: -104.848 flat angles P-C4'-P energy: -63.458 tors. eta vs tors. theta energy: -9.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -779.000781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.000781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.000781 (E_RNA) where: Base-Base interactions energy: -357.971 where: short stacking energy: -191.170 Base-Backbone interact. energy: -1.075 local terms energy: -419.954388 where: bonds (distance) C4'-P energy: -134.803 bonds (distance) P-C4' energy: -125.175 flat angles C4'-P-C4' energy: -114.106 flat angles P-C4'-P energy: -78.593 tors. eta vs tors. theta energy: 32.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2721.587212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.587212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.587212 (E_RNA) where: Base-Base interactions energy: -1837.146 where: short stacking energy: -797.991 Base-Backbone interact. energy: -5.306 local terms energy: -879.134623 where: bonds (distance) C4'-P energy: -168.114 bonds (distance) P-C4' energy: -173.243 flat angles C4'-P-C4' energy: -186.992 flat angles P-C4'-P energy: -135.167 tors. eta vs tors. theta energy: -215.618 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: 105 Temperature: 0.950000 Total energy: -2529.023872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.023872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.023872 (E_RNA) where: Base-Base interactions energy: -1719.684 where: short stacking energy: -700.237 Base-Backbone interact. energy: -3.886 local terms energy: -805.453870 where: bonds (distance) C4'-P energy: -156.813 bonds (distance) P-C4' energy: -171.689 flat angles C4'-P-C4' energy: -183.887 flat angles P-C4'-P energy: -109.411 tors. eta vs tors. theta energy: -183.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2395.681012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.681012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.681012 (E_RNA) where: Base-Base interactions energy: -1622.128 where: short stacking energy: -713.873 Base-Backbone interact. energy: 6.438 local terms energy: -779.991634 where: bonds (distance) C4'-P energy: -149.972 bonds (distance) P-C4' energy: -161.935 flat angles C4'-P-C4' energy: -170.273 flat angles P-C4'-P energy: -103.069 tors. eta vs tors. theta energy: -194.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2181.211268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.211268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.211268 (E_RNA) where: Base-Base interactions energy: -1440.629 where: short stacking energy: -620.866 Base-Backbone interact. energy: 6.089 local terms energy: -746.670614 where: bonds (distance) C4'-P energy: -159.298 bonds (distance) P-C4' energy: -162.308 flat angles C4'-P-C4' energy: -167.901 flat angles P-C4'-P energy: -108.957 tors. eta vs tors. theta energy: -148.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2039.643915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.643915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.643915 (E_RNA) where: Base-Base interactions energy: -1338.123 where: short stacking energy: -564.089 Base-Backbone interact. energy: -3.568 local terms energy: -697.953526 where: bonds (distance) C4'-P energy: -132.901 bonds (distance) P-C4' energy: -160.551 flat angles C4'-P-C4' energy: -172.843 flat angles P-C4'-P energy: -101.762 tors. eta vs tors. theta energy: -129.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2027.068635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.068635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.068635 (E_RNA) where: Base-Base interactions energy: -1349.011 where: short stacking energy: -586.978 Base-Backbone interact. energy: 7.319 local terms energy: -685.376532 where: bonds (distance) C4'-P energy: -132.650 bonds (distance) P-C4' energy: -143.632 flat angles C4'-P-C4' energy: -164.834 flat angles P-C4'-P energy: -90.536 tors. eta vs tors. theta energy: -153.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1759.291085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.291085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.291085 (E_RNA) where: Base-Base interactions energy: -1124.809 where: short stacking energy: -509.682 Base-Backbone interact. energy: -1.416 local terms energy: -633.066290 where: bonds (distance) C4'-P energy: -133.050 bonds (distance) P-C4' energy: -160.290 flat angles C4'-P-C4' energy: -147.771 flat angles P-C4'-P energy: -98.416 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: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1396.743030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.743030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.743030 (E_RNA) where: Base-Base interactions energy: -822.543 where: short stacking energy: -420.633 Base-Backbone interact. energy: -1.625 local terms energy: -572.574767 where: bonds (distance) C4'-P energy: -121.999 bonds (distance) P-C4' energy: -144.671 flat angles C4'-P-C4' energy: -133.304 flat angles P-C4'-P energy: -87.114 tors. eta vs tors. theta energy: -85.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -839.344722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.344722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.344722 (E_RNA) where: Base-Base interactions energy: -393.178 where: short stacking energy: -262.527 Base-Backbone interact. energy: 5.164 local terms energy: -451.331292 where: bonds (distance) C4'-P energy: -116.125 bonds (distance) P-C4' energy: -141.212 flat angles C4'-P-C4' energy: -123.618 flat angles P-C4'-P energy: -49.032 tors. eta vs tors. theta energy: -21.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -848.055211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.055211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.055211 (E_RNA) where: Base-Base interactions energy: -389.791 where: short stacking energy: -240.314 Base-Backbone interact. energy: 2.853 local terms energy: -461.117236 where: bonds (distance) C4'-P energy: -142.531 bonds (distance) P-C4' energy: -127.748 flat angles C4'-P-C4' energy: -118.368 flat angles P-C4'-P energy: -74.309 tors. eta vs tors. theta energy: 1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2691.531211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.531211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.531211 (E_RNA) where: Base-Base interactions energy: -1811.189 where: short stacking energy: -787.057 Base-Backbone interact. energy: -0.716 local terms energy: -879.627158 where: bonds (distance) C4'-P energy: -156.529 bonds (distance) P-C4' energy: -179.548 flat angles C4'-P-C4' energy: -181.837 flat angles P-C4'-P energy: -138.775 tors. eta vs tors. theta energy: -222.938 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: 106 Temperature: 0.950000 Total energy: -2589.957902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.957902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.957902 (E_RNA) where: Base-Base interactions energy: -1758.167 where: short stacking energy: -729.725 Base-Backbone interact. energy: -3.522 local terms energy: -828.268909 where: bonds (distance) C4'-P energy: -151.279 bonds (distance) P-C4' energy: -180.874 flat angles C4'-P-C4' energy: -175.432 flat angles P-C4'-P energy: -123.900 tors. eta vs tors. theta energy: -196.785 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: 7 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2423.718509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.718509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.718509 (E_RNA) where: Base-Base interactions energy: -1639.569 where: short stacking energy: -708.643 Base-Backbone interact. energy: 2.287 local terms energy: -786.437134 where: bonds (distance) C4'-P energy: -164.444 bonds (distance) P-C4' energy: -155.072 flat angles C4'-P-C4' energy: -174.161 flat angles P-C4'-P energy: -111.754 tors. eta vs tors. theta energy: -181.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2147.946172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.946172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.946172 (E_RNA) where: Base-Base interactions energy: -1442.640 where: short stacking energy: -630.397 Base-Backbone interact. energy: -2.653 local terms energy: -702.653588 where: bonds (distance) C4'-P energy: -135.353 bonds (distance) P-C4' energy: -136.265 flat angles C4'-P-C4' energy: -158.588 flat angles P-C4'-P energy: -120.164 tors. eta vs tors. theta energy: -152.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2142.000895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.000895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.000895 (E_RNA) where: Base-Base interactions energy: -1419.445 where: short stacking energy: -626.245 Base-Backbone interact. energy: 4.101 local terms energy: -726.657056 where: bonds (distance) C4'-P energy: -154.035 bonds (distance) P-C4' energy: -147.171 flat angles C4'-P-C4' energy: -167.498 flat angles P-C4'-P energy: -101.619 tors. eta vs tors. theta energy: -156.333 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: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1936.348753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.348753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.348753 (E_RNA) where: Base-Base interactions energy: -1261.087 where: short stacking energy: -551.522 Base-Backbone interact. energy: 0.814 local terms energy: -676.075795 where: bonds (distance) C4'-P energy: -151.210 bonds (distance) P-C4' energy: -152.697 flat angles C4'-P-C4' energy: -137.838 flat angles P-C4'-P energy: -112.201 tors. eta vs tors. theta energy: -122.130 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: 106 Temperature: 1.200000 Total energy: -1707.827003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.827003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.827003 (E_RNA) where: Base-Base interactions energy: -1078.151 where: short stacking energy: -484.943 Base-Backbone interact. energy: 0.841 local terms energy: -630.516343 where: bonds (distance) C4'-P energy: -149.650 bonds (distance) P-C4' energy: -141.403 flat angles C4'-P-C4' energy: -137.783 flat angles P-C4'-P energy: -85.619 tors. eta vs tors. theta energy: -116.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1433.943245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.943245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.943245 (E_RNA) where: Base-Base interactions energy: -878.711 where: short stacking energy: -419.344 Base-Backbone interact. energy: 8.682 local terms energy: -563.913592 where: bonds (distance) C4'-P energy: -146.575 bonds (distance) P-C4' energy: -130.606 flat angles C4'-P-C4' energy: -136.622 flat angles P-C4'-P energy: -77.521 tors. eta vs tors. theta energy: -72.590 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: 106 Temperature: 1.300000 Total energy: -893.078432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.078432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.078432 (E_RNA) where: Base-Base interactions energy: -411.948 where: short stacking energy: -240.593 Base-Backbone interact. energy: 0.994 local terms energy: -482.124829 where: bonds (distance) C4'-P energy: -137.648 bonds (distance) P-C4' energy: -146.546 flat angles C4'-P-C4' energy: -122.334 flat angles P-C4'-P energy: -78.826 tors. eta vs tors. theta energy: 3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -809.408575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.408575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.408575 (E_RNA) where: Base-Base interactions energy: -396.739 where: short stacking energy: -234.041 Base-Backbone interact. energy: 0.522 local terms energy: -413.191845 where: bonds (distance) C4'-P energy: -106.494 bonds (distance) P-C4' energy: -143.145 flat angles C4'-P-C4' energy: -118.579 flat angles P-C4'-P energy: -64.535 tors. eta vs tors. theta energy: 19.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2649.196026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.196026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.196026 (E_RNA) where: Base-Base interactions energy: -1762.380 where: short stacking energy: -759.757 Base-Backbone interact. energy: -3.648 local terms energy: -883.167267 where: bonds (distance) C4'-P energy: -172.297 bonds (distance) P-C4' energy: -167.718 flat angles C4'-P-C4' energy: -190.073 flat angles P-C4'-P energy: -131.964 tors. eta vs tors. theta energy: -221.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2538.393800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.393800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.393800 (E_RNA) where: Base-Base interactions energy: -1741.750 where: short stacking energy: -742.492 Base-Backbone interact. energy: -9.198 local terms energy: -787.445526 where: bonds (distance) C4'-P energy: -141.374 bonds (distance) P-C4' energy: -162.712 flat angles C4'-P-C4' energy: -171.963 flat angles P-C4'-P energy: -105.368 tors. eta vs tors. theta energy: -206.028 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: 7 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2397.687600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.687600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.687600 (E_RNA) where: Base-Base interactions energy: -1616.325 where: short stacking energy: -714.606 Base-Backbone interact. energy: -3.700 local terms energy: -777.662851 where: bonds (distance) C4'-P energy: -148.648 bonds (distance) P-C4' energy: -153.988 flat angles C4'-P-C4' energy: -180.176 flat angles P-C4'-P energy: -105.106 tors. eta vs tors. theta energy: -189.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2099.203761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.203761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.203761 (E_RNA) where: Base-Base interactions energy: -1407.977 where: short stacking energy: -577.186 Base-Backbone interact. energy: 3.837 local terms energy: -695.064226 where: bonds (distance) C4'-P energy: -136.813 bonds (distance) P-C4' energy: -163.005 flat angles C4'-P-C4' energy: -143.792 flat angles P-C4'-P energy: -113.299 tors. eta vs tors. theta energy: -138.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2064.119521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.119521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.119521 (E_RNA) where: Base-Base interactions energy: -1343.966 where: short stacking energy: -596.003 Base-Backbone interact. energy: 2.758 local terms energy: -722.911455 where: bonds (distance) C4'-P energy: -148.328 bonds (distance) P-C4' energy: -158.797 flat angles C4'-P-C4' energy: -175.724 flat angles P-C4'-P energy: -90.650 tors. eta vs tors. theta energy: -149.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1920.301038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.301038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.301038 (E_RNA) where: Base-Base interactions energy: -1259.638 where: short stacking energy: -573.403 Base-Backbone interact. energy: -0.758 local terms energy: -659.904892 where: bonds (distance) C4'-P energy: -125.132 bonds (distance) P-C4' energy: -153.047 flat angles C4'-P-C4' energy: -158.265 flat angles P-C4'-P energy: -88.538 tors. eta vs tors. theta energy: -134.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1605.230852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.230852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.230852 (E_RNA) where: Base-Base interactions energy: -996.101 where: short stacking energy: -468.412 Base-Backbone interact. energy: 0.775 local terms energy: -609.904561 where: bonds (distance) C4'-P energy: -118.253 bonds (distance) P-C4' energy: -138.601 flat angles C4'-P-C4' energy: -146.619 flat angles P-C4'-P energy: -106.966 tors. eta vs tors. theta energy: -99.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1339.235605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.235605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.235605 (E_RNA) where: Base-Base interactions energy: -773.447 where: short stacking energy: -376.605 Base-Backbone interact. energy: -1.357 local terms energy: -564.431667 where: bonds (distance) C4'-P energy: -133.039 bonds (distance) P-C4' energy: -148.749 flat angles C4'-P-C4' energy: -138.403 flat angles P-C4'-P energy: -83.668 tors. eta vs tors. theta energy: -60.573 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: 9, replica: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -828.625320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.625320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.625320 (E_RNA) where: Base-Base interactions energy: -379.202 where: short stacking energy: -243.681 Base-Backbone interact. energy: 4.697 local terms energy: -454.120514 where: bonds (distance) C4'-P energy: -93.511 bonds (distance) P-C4' energy: -155.467 flat angles C4'-P-C4' energy: -126.572 flat angles P-C4'-P energy: -79.458 tors. eta vs tors. theta energy: 0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -775.364632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.364632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.364632 (E_RNA) where: Base-Base interactions energy: -359.191 where: short stacking energy: -203.401 Base-Backbone interact. energy: 4.483 local terms energy: -420.656742 where: bonds (distance) C4'-P energy: -113.034 bonds (distance) P-C4' energy: -136.213 flat angles C4'-P-C4' energy: -114.896 flat angles P-C4'-P energy: -73.587 tors. eta vs tors. theta energy: 17.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2653.298226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.298226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.298226 (E_RNA) where: Base-Base interactions energy: -1807.254 where: short stacking energy: -790.165 Base-Backbone interact. energy: -4.395 local terms energy: -841.649908 where: bonds (distance) C4'-P energy: -162.441 bonds (distance) P-C4' energy: -155.504 flat angles C4'-P-C4' energy: -194.635 flat angles P-C4'-P energy: -113.866 tors. eta vs tors. theta energy: -215.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2569.559420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.559420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.559420 (E_RNA) where: Base-Base interactions energy: -1767.131 where: short stacking energy: -745.667 Base-Backbone interact. energy: -0.081 local terms energy: -802.347168 where: bonds (distance) C4'-P energy: -154.067 bonds (distance) P-C4' energy: -169.636 flat angles C4'-P-C4' energy: -179.292 flat angles P-C4'-P energy: -100.482 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: 3, replica: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2352.186814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.186814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.186814 (E_RNA) where: Base-Base interactions energy: -1581.134 where: short stacking energy: -696.059 Base-Backbone interact. energy: 3.193 local terms energy: -774.245582 where: bonds (distance) C4'-P energy: -145.384 bonds (distance) P-C4' energy: -160.287 flat angles C4'-P-C4' energy: -177.897 flat angles P-C4'-P energy: -105.436 tors. eta vs tors. theta energy: -185.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2171.109245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.109245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.109245 (E_RNA) where: Base-Base interactions energy: -1443.405 where: short stacking energy: -614.110 Base-Backbone interact. energy: -3.108 local terms energy: -724.595577 where: bonds (distance) C4'-P energy: -121.721 bonds (distance) P-C4' energy: -161.062 flat angles C4'-P-C4' energy: -181.105 flat angles P-C4'-P energy: -107.674 tors. eta vs tors. theta energy: -153.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2090.240943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.240943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.240943 (E_RNA) where: Base-Base interactions energy: -1355.035 where: short stacking energy: -605.215 Base-Backbone interact. energy: -3.481 local terms energy: -731.725534 where: bonds (distance) C4'-P energy: -137.307 bonds (distance) P-C4' energy: -156.909 flat angles C4'-P-C4' energy: -157.417 flat angles P-C4'-P energy: -120.621 tors. eta vs tors. theta energy: -159.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1953.994051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.994051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.994051 (E_RNA) where: Base-Base interactions energy: -1267.656 where: short stacking energy: -560.299 Base-Backbone interact. energy: 1.147 local terms energy: -687.484502 where: bonds (distance) C4'-P energy: -157.121 bonds (distance) P-C4' energy: -139.660 flat angles C4'-P-C4' energy: -151.163 flat angles P-C4'-P energy: -102.902 tors. eta vs tors. theta energy: -136.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1612.534384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.534384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.534384 (E_RNA) where: Base-Base interactions energy: -1040.985 where: short stacking energy: -503.948 Base-Backbone interact. energy: -2.840 local terms energy: -568.709959 where: bonds (distance) C4'-P energy: -120.301 bonds (distance) P-C4' energy: -133.259 flat angles C4'-P-C4' energy: -158.630 flat angles P-C4'-P energy: -70.405 tors. eta vs tors. theta energy: -86.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1355.142602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.142602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.142602 (E_RNA) where: Base-Base interactions energy: -838.602 where: short stacking energy: -369.731 Base-Backbone interact. energy: -3.503 local terms energy: -513.037236 where: bonds (distance) C4'-P energy: -138.366 bonds (distance) P-C4' energy: -121.693 flat angles C4'-P-C4' energy: -129.484 flat angles P-C4'-P energy: -77.934 tors. eta vs tors. theta energy: -45.559 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: 9, replica: 1 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -907.584735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.584735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.584735 (E_RNA) where: Base-Base interactions energy: -453.290 where: short stacking energy: -245.324 Base-Backbone interact. energy: 6.263 local terms energy: -460.557483 where: bonds (distance) C4'-P energy: -141.270 bonds (distance) P-C4' energy: -129.683 flat angles C4'-P-C4' energy: -125.883 flat angles P-C4'-P energy: -58.470 tors. eta vs tors. theta energy: -5.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -751.423288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.423288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.423288 (E_RNA) where: Base-Base interactions energy: -378.048 where: short stacking energy: -222.191 Base-Backbone interact. energy: 8.961 local terms energy: -382.336489 where: bonds (distance) C4'-P energy: -113.307 bonds (distance) P-C4' energy: -133.786 flat angles C4'-P-C4' energy: -93.005 flat angles P-C4'-P energy: -54.452 tors. eta vs tors. theta energy: 12.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2633.339977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.339977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.339977 (E_RNA) where: Base-Base interactions energy: -1762.933 where: short stacking energy: -777.047 Base-Backbone interact. energy: -4.920 local terms energy: -865.487311 where: bonds (distance) C4'-P energy: -166.120 bonds (distance) P-C4' energy: -161.931 flat angles C4'-P-C4' energy: -192.622 flat angles P-C4'-P energy: -122.203 tors. eta vs tors. theta energy: -222.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2578.764745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.764745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.764745 (E_RNA) where: Base-Base interactions energy: -1755.586 where: short stacking energy: -715.885 Base-Backbone interact. energy: -7.152 local terms energy: -816.026408 where: bonds (distance) C4'-P energy: -168.412 bonds (distance) P-C4' energy: -160.881 flat angles C4'-P-C4' energy: -178.658 flat angles P-C4'-P energy: -111.551 tors. eta vs tors. theta energy: -196.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2432.578244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.578244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.578244 (E_RNA) where: Base-Base interactions energy: -1608.783 where: short stacking energy: -726.784 Base-Backbone interact. energy: -0.777 local terms energy: -823.017706 where: bonds (distance) C4'-P energy: -158.425 bonds (distance) P-C4' energy: -165.375 flat angles C4'-P-C4' energy: -183.365 flat angles P-C4'-P energy: -99.922 tors. eta vs tors. theta energy: -215.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2158.971445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.971445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.971445 (E_RNA) where: Base-Base interactions energy: -1451.842 where: short stacking energy: -610.315 Base-Backbone interact. energy: -6.289 local terms energy: -700.841010 where: bonds (distance) C4'-P energy: -140.655 bonds (distance) P-C4' energy: -144.812 flat angles C4'-P-C4' energy: -170.879 flat angles P-C4'-P energy: -98.987 tors. eta vs tors. theta energy: -145.508 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: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2085.175603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.175603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.175603 (E_RNA) where: Base-Base interactions energy: -1374.124 where: short stacking energy: -614.901 Base-Backbone interact. energy: -1.081 local terms energy: -709.970457 where: bonds (distance) C4'-P energy: -136.014 bonds (distance) P-C4' energy: -150.401 flat angles C4'-P-C4' energy: -162.561 flat angles P-C4'-P energy: -108.044 tors. eta vs tors. theta energy: -152.951 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: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1984.691846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.691846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.691846 (E_RNA) where: Base-Base interactions energy: -1261.415 where: short stacking energy: -542.871 Base-Backbone interact. energy: -2.877 local terms energy: -720.399884 where: bonds (distance) C4'-P energy: -148.403 bonds (distance) P-C4' energy: -155.221 flat angles C4'-P-C4' energy: -163.261 flat angles P-C4'-P energy: -110.474 tors. eta vs tors. theta energy: -143.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1639.349430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.349430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.349430 (E_RNA) where: Base-Base interactions energy: -1018.583 where: short stacking energy: -446.346 Base-Backbone interact. energy: 1.865 local terms energy: -622.632057 where: bonds (distance) C4'-P energy: -144.513 bonds (distance) P-C4' energy: -130.848 flat angles C4'-P-C4' energy: -147.610 flat angles P-C4'-P energy: -88.642 tors. eta vs tors. theta energy: -111.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1393.547763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.547763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.547763 (E_RNA) where: Base-Base interactions energy: -875.745 where: short stacking energy: -409.023 Base-Backbone interact. energy: -1.215 local terms energy: -516.587520 where: bonds (distance) C4'-P energy: -131.244 bonds (distance) P-C4' energy: -132.425 flat angles C4'-P-C4' energy: -126.245 flat angles P-C4'-P energy: -63.367 tors. eta vs tors. theta energy: -63.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -971.818124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.818124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.818124 (E_RNA) where: Base-Base interactions energy: -471.702 where: short stacking energy: -303.252 Base-Backbone interact. energy: 5.359 local terms energy: -505.475672 where: bonds (distance) C4'-P energy: -139.137 bonds (distance) P-C4' energy: -133.000 flat angles C4'-P-C4' energy: -131.589 flat angles P-C4'-P energy: -81.968 tors. eta vs tors. theta energy: -19.781 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: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -791.465991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.465991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.465991 (E_RNA) where: Base-Base interactions energy: -362.827 where: short stacking energy: -228.825 Base-Backbone interact. energy: 0.578 local terms energy: -429.216647 where: bonds (distance) C4'-P energy: -119.996 bonds (distance) P-C4' energy: -153.279 flat angles C4'-P-C4' energy: -108.833 flat angles P-C4'-P energy: -67.197 tors. eta vs tors. theta energy: 20.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2663.076553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.076553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.076553 (E_RNA) where: Base-Base interactions energy: -1786.954 where: short stacking energy: -785.765 Base-Backbone interact. energy: -2.347 local terms energy: -873.775599 where: bonds (distance) C4'-P energy: -153.970 bonds (distance) P-C4' energy: -169.952 flat angles C4'-P-C4' energy: -193.809 flat angles P-C4'-P energy: -129.489 tors. eta vs tors. theta energy: -226.555 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: 110 Temperature: 0.950000 Total energy: -2549.891499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.891499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.891499 (E_RNA) where: Base-Base interactions energy: -1754.931 where: short stacking energy: -719.964 Base-Backbone interact. energy: -1.599 local terms energy: -793.361115 where: bonds (distance) C4'-P energy: -151.815 bonds (distance) P-C4' energy: -156.975 flat angles C4'-P-C4' energy: -177.050 flat angles P-C4'-P energy: -111.565 tors. eta vs tors. theta energy: -195.957 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: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2374.446408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.446408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.446408 (E_RNA) where: Base-Base interactions energy: -1575.487 where: short stacking energy: -703.811 Base-Backbone interact. energy: -2.779 local terms energy: -796.180492 where: bonds (distance) C4'-P energy: -151.756 bonds (distance) P-C4' energy: -152.279 flat angles C4'-P-C4' energy: -166.803 flat angles P-C4'-P energy: -128.586 tors. eta vs tors. theta energy: -196.757 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: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2245.704188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.704188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.704188 (E_RNA) where: Base-Base interactions energy: -1527.766 where: short stacking energy: -604.855 Base-Backbone interact. energy: 3.966 local terms energy: -721.903706 where: bonds (distance) C4'-P energy: -152.241 bonds (distance) P-C4' energy: -160.523 flat angles C4'-P-C4' energy: -157.413 flat angles P-C4'-P energy: -97.538 tors. eta vs tors. theta energy: -154.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2071.706305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.706305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.706305 (E_RNA) where: Base-Base interactions energy: -1366.086 where: short stacking energy: -618.229 Base-Backbone interact. energy: 1.059 local terms energy: -706.678886 where: bonds (distance) C4'-P energy: -129.501 bonds (distance) P-C4' energy: -143.872 flat angles C4'-P-C4' energy: -168.838 flat angles P-C4'-P energy: -102.107 tors. eta vs tors. theta energy: -162.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1947.117152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.117152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.117152 (E_RNA) where: Base-Base interactions energy: -1275.437 where: short stacking energy: -592.162 Base-Backbone interact. energy: -0.643 local terms energy: -671.037471 where: bonds (distance) C4'-P energy: -126.766 bonds (distance) P-C4' energy: -138.506 flat angles C4'-P-C4' energy: -163.572 flat angles P-C4'-P energy: -92.746 tors. eta vs tors. theta energy: -149.447 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: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1703.360792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.360792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.360792 (E_RNA) where: Base-Base interactions energy: -1089.400 where: short stacking energy: -475.920 Base-Backbone interact. energy: -0.490 local terms energy: -613.470962 where: bonds (distance) C4'-P energy: -139.531 bonds (distance) P-C4' energy: -147.471 flat angles C4'-P-C4' energy: -141.895 flat angles P-C4'-P energy: -91.671 tors. eta vs tors. theta energy: -92.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1399.785131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.785131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.785131 (E_RNA) where: Base-Base interactions energy: -819.344 where: short stacking energy: -385.711 Base-Backbone interact. energy: -1.987 local terms energy: -578.454485 where: bonds (distance) C4'-P energy: -157.953 bonds (distance) P-C4' energy: -139.573 flat angles C4'-P-C4' energy: -131.729 flat angles P-C4'-P energy: -85.350 tors. eta vs tors. theta energy: -63.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -973.478546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.478546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.478546 (E_RNA) where: Base-Base interactions energy: -510.490 where: short stacking energy: -278.424 Base-Backbone interact. energy: 7.270 local terms energy: -470.258594 where: bonds (distance) C4'-P energy: -150.206 bonds (distance) P-C4' energy: -140.697 flat angles C4'-P-C4' energy: -120.805 flat angles P-C4'-P energy: -61.050 tors. eta vs tors. theta energy: 2.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -814.866592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.866592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.866592 (E_RNA) where: Base-Base interactions energy: -397.035 where: short stacking energy: -235.409 Base-Backbone interact. energy: 0.608 local terms energy: -418.439427 where: bonds (distance) C4'-P energy: -110.438 bonds (distance) P-C4' energy: -150.274 flat angles C4'-P-C4' energy: -109.708 flat angles P-C4'-P energy: -76.161 tors. eta vs tors. theta energy: 28.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2669.176191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.176191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.176191 (E_RNA) where: Base-Base interactions energy: -1806.833 where: short stacking energy: -795.240 Base-Backbone interact. energy: -1.197 local terms energy: -861.146919 where: bonds (distance) C4'-P energy: -166.554 bonds (distance) P-C4' energy: -169.079 flat angles C4'-P-C4' energy: -189.686 flat angles P-C4'-P energy: -112.865 tors. eta vs tors. theta energy: -222.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2531.993833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.993833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.993833 (E_RNA) where: Base-Base interactions energy: -1740.693 where: short stacking energy: -722.347 Base-Backbone interact. energy: -3.607 local terms energy: -787.694441 where: bonds (distance) C4'-P energy: -166.320 bonds (distance) P-C4' energy: -169.509 flat angles C4'-P-C4' energy: -170.706 flat angles P-C4'-P energy: -97.317 tors. eta vs tors. theta energy: -183.843 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: 7 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2385.723414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.723414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.723414 (E_RNA) where: Base-Base interactions energy: -1611.620 where: short stacking energy: -699.621 Base-Backbone interact. energy: -1.873 local terms energy: -772.230582 where: bonds (distance) C4'-P energy: -134.055 bonds (distance) P-C4' energy: -165.662 flat angles C4'-P-C4' energy: -162.872 flat angles P-C4'-P energy: -110.481 tors. eta vs tors. theta energy: -199.161 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: 4, replica: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2200.226649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.226649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.226649 (E_RNA) where: Base-Base interactions energy: -1462.606 where: short stacking energy: -596.669 Base-Backbone interact. energy: -4.199 local terms energy: -733.421760 where: bonds (distance) C4'-P energy: -155.232 bonds (distance) P-C4' energy: -162.713 flat angles C4'-P-C4' energy: -168.849 flat angles P-C4'-P energy: -91.859 tors. eta vs tors. theta energy: -154.768 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: 111 Temperature: 1.100000 Total energy: -2122.550040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.550040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.550040 (E_RNA) where: Base-Base interactions energy: -1431.282 where: short stacking energy: -617.027 Base-Backbone interact. energy: -0.149 local terms energy: -691.118486 where: bonds (distance) C4'-P energy: -135.655 bonds (distance) P-C4' energy: -137.262 flat angles C4'-P-C4' energy: -149.221 flat angles P-C4'-P energy: -99.716 tors. eta vs tors. theta energy: -169.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1939.280554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.280554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.280554 (E_RNA) where: Base-Base interactions energy: -1265.411 where: short stacking energy: -577.837 Base-Backbone interact. energy: -4.396 local terms energy: -669.473969 where: bonds (distance) C4'-P energy: -127.536 bonds (distance) P-C4' energy: -141.284 flat angles C4'-P-C4' energy: -161.371 flat angles P-C4'-P energy: -110.102 tors. eta vs tors. theta energy: -129.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1732.478927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.478927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.478927 (E_RNA) where: Base-Base interactions energy: -1108.793 where: short stacking energy: -494.756 Base-Backbone interact. energy: -4.264 local terms energy: -619.421812 where: bonds (distance) C4'-P energy: -123.348 bonds (distance) P-C4' energy: -145.446 flat angles C4'-P-C4' energy: -154.743 flat angles P-C4'-P energy: -95.481 tors. eta vs tors. theta energy: -100.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1281.754021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.754021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.754021 (E_RNA) where: Base-Base interactions energy: -779.243 where: short stacking energy: -381.754 Base-Backbone interact. energy: 0.291 local terms energy: -502.801583 where: bonds (distance) C4'-P energy: -100.773 bonds (distance) P-C4' energy: -125.867 flat angles C4'-P-C4' energy: -138.284 flat angles P-C4'-P energy: -74.969 tors. eta vs tors. theta energy: -62.909 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: 9, replica: 1 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -908.938938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.938938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.938938 (E_RNA) where: Base-Base interactions energy: -438.341 where: short stacking energy: -257.061 Base-Backbone interact. energy: 2.193 local terms energy: -472.789987 where: bonds (distance) C4'-P energy: -153.964 bonds (distance) P-C4' energy: -148.763 flat angles C4'-P-C4' energy: -109.631 flat angles P-C4'-P energy: -61.498 tors. eta vs tors. theta energy: 1.067 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: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -776.572212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.572212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.572212 (E_RNA) where: Base-Base interactions energy: -373.513 where: short stacking energy: -198.394 Base-Backbone interact. energy: 1.942 local terms energy: -405.001388 where: bonds (distance) C4'-P energy: -136.597 bonds (distance) P-C4' energy: -121.493 flat angles C4'-P-C4' energy: -120.917 flat angles P-C4'-P energy: -60.169 tors. eta vs tors. theta energy: 34.175 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: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2669.678107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.678107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.678107 (E_RNA) where: Base-Base interactions energy: -1802.482 where: short stacking energy: -799.959 Base-Backbone interact. energy: -1.469 local terms energy: -865.726945 where: bonds (distance) C4'-P energy: -180.109 bonds (distance) P-C4' energy: -171.230 flat angles C4'-P-C4' energy: -181.003 flat angles P-C4'-P energy: -115.370 tors. eta vs tors. theta energy: -218.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2578.092486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.092486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.092486 (E_RNA) where: Base-Base interactions energy: -1761.030 where: short stacking energy: -748.944 Base-Backbone interact. energy: -1.115 local terms energy: -815.946877 where: bonds (distance) C4'-P energy: -147.788 bonds (distance) P-C4' energy: -171.553 flat angles C4'-P-C4' energy: -174.069 flat angles P-C4'-P energy: -117.462 tors. eta vs tors. theta energy: -205.075 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: 3, replica: 7 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2385.186123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.186123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.186123 (E_RNA) where: Base-Base interactions energy: -1593.753 where: short stacking energy: -677.156 Base-Backbone interact. energy: -3.468 local terms energy: -787.964680 where: bonds (distance) C4'-P energy: -142.290 bonds (distance) P-C4' energy: -158.172 flat angles C4'-P-C4' energy: -184.130 flat angles P-C4'-P energy: -120.016 tors. eta vs tors. theta energy: -183.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2185.476173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.476173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.476173 (E_RNA) where: Base-Base interactions energy: -1477.412 where: short stacking energy: -612.960 Base-Backbone interact. energy: -4.463 local terms energy: -703.601515 where: bonds (distance) C4'-P energy: -145.456 bonds (distance) P-C4' energy: -153.375 flat angles C4'-P-C4' energy: -165.842 flat angles P-C4'-P energy: -85.829 tors. eta vs tors. theta energy: -153.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2148.178309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.178309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.178309 (E_RNA) where: Base-Base interactions energy: -1412.745 where: short stacking energy: -607.873 Base-Backbone interact. energy: 2.589 local terms energy: -738.022846 where: bonds (distance) C4'-P energy: -148.865 bonds (distance) P-C4' energy: -149.445 flat angles C4'-P-C4' energy: -169.614 flat angles P-C4'-P energy: -107.291 tors. eta vs tors. theta energy: -162.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1987.408034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.408034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.408034 (E_RNA) where: Base-Base interactions energy: -1317.789 where: short stacking energy: -583.792 Base-Backbone interact. energy: 2.138 local terms energy: -671.756762 where: bonds (distance) C4'-P energy: -125.785 bonds (distance) P-C4' energy: -157.467 flat angles C4'-P-C4' energy: -153.975 flat angles P-C4'-P energy: -95.224 tors. eta vs tors. theta energy: -139.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1733.032991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.032991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.032991 (E_RNA) where: Base-Base interactions energy: -1117.184 where: short stacking energy: -504.626 Base-Backbone interact. energy: -6.491 local terms energy: -609.358110 where: bonds (distance) C4'-P energy: -133.195 bonds (distance) P-C4' energy: -145.402 flat angles C4'-P-C4' energy: -131.315 flat angles P-C4'-P energy: -88.245 tors. eta vs tors. theta energy: -111.202 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: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1291.633974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.633974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.633974 (E_RNA) where: Base-Base interactions energy: -749.153 where: short stacking energy: -360.975 Base-Backbone interact. energy: -0.592 local terms energy: -541.888885 where: bonds (distance) C4'-P energy: -151.841 bonds (distance) P-C4' energy: -145.947 flat angles C4'-P-C4' energy: -112.009 flat angles P-C4'-P energy: -73.058 tors. eta vs tors. theta energy: -59.035 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: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -875.311721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.311721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.311721 (E_RNA) where: Base-Base interactions energy: -428.715 where: short stacking energy: -221.785 Base-Backbone interact. energy: 2.005 local terms energy: -448.601483 where: bonds (distance) C4'-P energy: -130.370 bonds (distance) P-C4' energy: -150.905 flat angles C4'-P-C4' energy: -118.722 flat angles P-C4'-P energy: -64.598 tors. eta vs tors. theta energy: 15.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -795.305048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.305048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.305048 (E_RNA) where: Base-Base interactions energy: -352.530 where: short stacking energy: -186.798 Base-Backbone interact. energy: 3.433 local terms energy: -446.207628 where: bonds (distance) C4'-P energy: -123.635 bonds (distance) P-C4' energy: -154.828 flat angles C4'-P-C4' energy: -137.261 flat angles P-C4'-P energy: -72.404 tors. eta vs tors. theta energy: 41.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2676.755586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.755586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.755586 (E_RNA) where: Base-Base interactions energy: -1794.670 where: short stacking energy: -752.702 Base-Backbone interact. energy: -3.017 local terms energy: -879.068635 where: bonds (distance) C4'-P energy: -173.486 bonds (distance) P-C4' energy: -175.555 flat angles C4'-P-C4' energy: -190.384 flat angles P-C4'-P energy: -122.010 tors. eta vs tors. theta energy: -217.634 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: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2552.564855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.564855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.564855 (E_RNA) where: Base-Base interactions energy: -1741.593 where: short stacking energy: -731.317 Base-Backbone interact. energy: -2.944 local terms energy: -808.027364 where: bonds (distance) C4'-P energy: -165.973 bonds (distance) P-C4' energy: -169.402 flat angles C4'-P-C4' energy: -171.746 flat angles P-C4'-P energy: -105.911 tors. eta vs tors. theta energy: -194.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2399.766592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.766592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.766592 (E_RNA) where: Base-Base interactions energy: -1617.524 where: short stacking energy: -719.131 Base-Backbone interact. energy: 0.233 local terms energy: -782.476139 where: bonds (distance) C4'-P energy: -154.003 bonds (distance) P-C4' energy: -149.350 flat angles C4'-P-C4' energy: -160.298 flat angles P-C4'-P energy: -117.189 tors. eta vs tors. theta energy: -201.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2201.163033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.163033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.163033 (E_RNA) where: Base-Base interactions energy: -1468.638 where: short stacking energy: -620.571 Base-Backbone interact. energy: -2.172 local terms energy: -730.352364 where: bonds (distance) C4'-P energy: -156.018 bonds (distance) P-C4' energy: -158.181 flat angles C4'-P-C4' energy: -159.949 flat angles P-C4'-P energy: -106.020 tors. eta vs tors. theta energy: -150.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2163.785076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.785076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.785076 (E_RNA) where: Base-Base interactions energy: -1433.723 where: short stacking energy: -621.132 Base-Backbone interact. energy: -0.315 local terms energy: -729.746963 where: bonds (distance) C4'-P energy: -162.395 bonds (distance) P-C4' energy: -152.019 flat angles C4'-P-C4' energy: -163.182 flat angles P-C4'-P energy: -92.732 tors. eta vs tors. theta energy: -159.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1847.455682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.455682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.455682 (E_RNA) where: Base-Base interactions energy: -1214.242 where: short stacking energy: -524.009 Base-Backbone interact. energy: -1.194 local terms energy: -632.020244 where: bonds (distance) C4'-P energy: -140.245 bonds (distance) P-C4' energy: -139.557 flat angles C4'-P-C4' energy: -145.498 flat angles P-C4'-P energy: -84.448 tors. eta vs tors. theta energy: -122.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1717.756465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.756465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.756465 (E_RNA) where: Base-Base interactions energy: -1135.018 where: short stacking energy: -486.615 Base-Backbone interact. energy: 0.076 local terms energy: -582.813995 where: bonds (distance) C4'-P energy: -129.108 bonds (distance) P-C4' energy: -129.895 flat angles C4'-P-C4' energy: -127.987 flat angles P-C4'-P energy: -95.562 tors. eta vs tors. theta energy: -100.262 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: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1333.557885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.557885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.557885 (E_RNA) where: Base-Base interactions energy: -801.376 where: short stacking energy: -352.845 Base-Backbone interact. energy: 1.545 local terms energy: -533.726727 where: bonds (distance) C4'-P energy: -123.302 bonds (distance) P-C4' energy: -135.593 flat angles C4'-P-C4' energy: -128.395 flat angles P-C4'-P energy: -83.342 tors. eta vs tors. theta energy: -63.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -893.863414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.863414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.863414 (E_RNA) where: Base-Base interactions energy: -417.056 where: short stacking energy: -239.239 Base-Backbone interact. energy: 0.008 local terms energy: -476.815136 where: bonds (distance) C4'-P energy: -128.050 bonds (distance) P-C4' energy: -145.474 flat angles C4'-P-C4' energy: -122.650 flat angles P-C4'-P energy: -80.430 tors. eta vs tors. theta energy: -0.212 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: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -841.214166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.214166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.214166 (E_RNA) where: Base-Base interactions energy: -440.156 where: short stacking energy: -243.868 Base-Backbone interact. energy: -1.945 local terms energy: -399.113449 where: bonds (distance) C4'-P energy: -107.987 bonds (distance) P-C4' energy: -128.278 flat angles C4'-P-C4' energy: -122.731 flat angles P-C4'-P energy: -64.035 tors. eta vs tors. theta energy: 23.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2664.391241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.391241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.391241 (E_RNA) where: Base-Base interactions energy: -1819.651 where: short stacking energy: -782.186 Base-Backbone interact. energy: -2.023 local terms energy: -842.717564 where: bonds (distance) C4'-P energy: -145.541 bonds (distance) P-C4' energy: -170.965 flat angles C4'-P-C4' energy: -175.522 flat angles P-C4'-P energy: -126.033 tors. eta vs tors. theta energy: -224.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2587.787010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.787010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.787010 (E_RNA) where: Base-Base interactions energy: -1756.983 where: short stacking energy: -727.673 Base-Backbone interact. energy: -3.516 local terms energy: -827.288824 where: bonds (distance) C4'-P energy: -162.769 bonds (distance) P-C4' energy: -169.133 flat angles C4'-P-C4' energy: -170.534 flat angles P-C4'-P energy: -116.504 tors. eta vs tors. theta energy: -208.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2409.797836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.797836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.797836 (E_RNA) where: Base-Base interactions energy: -1646.145 where: short stacking energy: -732.054 Base-Backbone interact. energy: -1.363 local terms energy: -762.289108 where: bonds (distance) C4'-P energy: -146.186 bonds (distance) P-C4' energy: -159.619 flat angles C4'-P-C4' energy: -169.401 flat angles P-C4'-P energy: -95.908 tors. eta vs tors. theta energy: -191.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2195.292557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.292557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.292557 (E_RNA) where: Base-Base interactions energy: -1493.023 where: short stacking energy: -621.146 Base-Backbone interact. energy: 1.670 local terms energy: -703.939658 where: bonds (distance) C4'-P energy: -152.855 bonds (distance) P-C4' energy: -145.717 flat angles C4'-P-C4' energy: -154.062 flat angles P-C4'-P energy: -94.509 tors. eta vs tors. theta energy: -156.796 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: 114 Temperature: 1.100000 Total energy: -2146.802972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.802972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.802972 (E_RNA) where: Base-Base interactions energy: -1395.704 where: short stacking energy: -601.747 Base-Backbone interact. energy: -2.694 local terms energy: -748.404036 where: bonds (distance) C4'-P energy: -154.173 bonds (distance) P-C4' energy: -153.022 flat angles C4'-P-C4' energy: -162.393 flat angles P-C4'-P energy: -107.969 tors. eta vs tors. theta energy: -170.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1992.589739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.589739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.589739 (E_RNA) where: Base-Base interactions energy: -1313.656 where: short stacking energy: -571.590 Base-Backbone interact. energy: -1.858 local terms energy: -677.075916 where: bonds (distance) C4'-P energy: -138.068 bonds (distance) P-C4' energy: -160.969 flat angles C4'-P-C4' energy: -143.471 flat angles P-C4'-P energy: -83.781 tors. eta vs tors. theta energy: -150.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1776.904380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.904380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.904380 (E_RNA) where: Base-Base interactions energy: -1145.004 where: short stacking energy: -493.193 Base-Backbone interact. energy: -0.242 local terms energy: -631.658349 where: bonds (distance) C4'-P energy: -127.032 bonds (distance) P-C4' energy: -161.835 flat angles C4'-P-C4' energy: -149.390 flat angles P-C4'-P energy: -76.547 tors. eta vs tors. theta energy: -116.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1365.281328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.281328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.281328 (E_RNA) where: Base-Base interactions energy: -823.131 where: short stacking energy: -367.652 Base-Backbone interact. energy: -2.353 local terms energy: -539.797444 where: bonds (distance) C4'-P energy: -143.662 bonds (distance) P-C4' energy: -147.239 flat angles C4'-P-C4' energy: -128.808 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: -55.898 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: 1 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -876.428214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.428214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.428214 (E_RNA) where: Base-Base interactions energy: -415.890 where: short stacking energy: -267.549 Base-Backbone interact. energy: 0.919 local terms energy: -461.457738 where: bonds (distance) C4'-P energy: -134.253 bonds (distance) P-C4' energy: -128.890 flat angles C4'-P-C4' energy: -138.809 flat angles P-C4'-P energy: -58.528 tors. eta vs tors. theta energy: -0.978 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: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -796.671060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.671060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.671060 (E_RNA) where: Base-Base interactions energy: -357.306 where: short stacking energy: -231.982 Base-Backbone interact. energy: -1.787 local terms energy: -437.577975 where: bonds (distance) C4'-P energy: -129.498 bonds (distance) P-C4' energy: -154.541 flat angles C4'-P-C4' energy: -97.431 flat angles P-C4'-P energy: -46.197 tors. eta vs tors. theta energy: -9.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2700.963403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.963403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.963403 (E_RNA) where: Base-Base interactions energy: -1828.823 where: short stacking energy: -779.309 Base-Backbone interact. energy: -5.765 local terms energy: -866.375265 where: bonds (distance) C4'-P energy: -164.266 bonds (distance) P-C4' energy: -166.434 flat angles C4'-P-C4' energy: -187.170 flat angles P-C4'-P energy: -116.336 tors. eta vs tors. theta energy: -232.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2612.255245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.255245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.255245 (E_RNA) where: Base-Base interactions energy: -1788.525 where: short stacking energy: -740.723 Base-Backbone interact. energy: -8.309 local terms energy: -815.421584 where: bonds (distance) C4'-P energy: -158.167 bonds (distance) P-C4' energy: -149.025 flat angles C4'-P-C4' energy: -176.585 flat angles P-C4'-P energy: -120.983 tors. eta vs tors. theta energy: -210.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2427.989171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.989171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.989171 (E_RNA) where: Base-Base interactions energy: -1647.481 where: short stacking energy: -724.040 Base-Backbone interact. energy: 3.550 local terms energy: -784.058012 where: bonds (distance) C4'-P energy: -154.337 bonds (distance) P-C4' energy: -157.018 flat angles C4'-P-C4' energy: -171.935 flat angles P-C4'-P energy: -104.754 tors. eta vs tors. theta energy: -196.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2116.106567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.106567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.106567 (E_RNA) where: Base-Base interactions energy: -1385.780 where: short stacking energy: -598.375 Base-Backbone interact. energy: -2.370 local terms energy: -727.956795 where: bonds (distance) C4'-P energy: -153.699 bonds (distance) P-C4' energy: -163.107 flat angles C4'-P-C4' energy: -151.844 flat angles P-C4'-P energy: -110.678 tors. eta vs tors. theta energy: -148.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2108.711433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.711433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.711433 (E_RNA) where: Base-Base interactions energy: -1376.553 where: short stacking energy: -634.693 Base-Backbone interact. energy: -3.505 local terms energy: -728.653235 where: bonds (distance) C4'-P energy: -142.985 bonds (distance) P-C4' energy: -156.351 flat angles C4'-P-C4' energy: -163.835 flat angles P-C4'-P energy: -98.969 tors. eta vs tors. theta energy: -166.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2061.387605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.387605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.387605 (E_RNA) where: Base-Base interactions energy: -1355.566 where: short stacking energy: -606.966 Base-Backbone interact. energy: -3.859 local terms energy: -701.963062 where: bonds (distance) C4'-P energy: -137.516 bonds (distance) P-C4' energy: -147.725 flat angles C4'-P-C4' energy: -158.345 flat angles P-C4'-P energy: -104.430 tors. eta vs tors. theta energy: -153.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1848.556518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.556518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.556518 (E_RNA) where: Base-Base interactions energy: -1210.633 where: short stacking energy: -537.102 Base-Backbone interact. energy: -0.818 local terms energy: -637.105285 where: bonds (distance) C4'-P energy: -138.055 bonds (distance) P-C4' energy: -141.317 flat angles C4'-P-C4' energy: -135.944 flat angles P-C4'-P energy: -92.937 tors. eta vs tors. theta energy: -128.853 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: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1386.593094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.593094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.593094 (E_RNA) where: Base-Base interactions energy: -823.737 where: short stacking energy: -398.318 Base-Backbone interact. energy: 0.613 local terms energy: -563.469427 where: bonds (distance) C4'-P energy: -156.846 bonds (distance) P-C4' energy: -113.436 flat angles C4'-P-C4' energy: -133.088 flat angles P-C4'-P energy: -92.666 tors. eta vs tors. theta energy: -67.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -891.304352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.304352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.304352 (E_RNA) where: Base-Base interactions energy: -402.143 where: short stacking energy: -234.207 Base-Backbone interact. energy: 1.384 local terms energy: -490.545354 where: bonds (distance) C4'-P energy: -153.946 bonds (distance) P-C4' energy: -150.385 flat angles C4'-P-C4' energy: -118.749 flat angles P-C4'-P energy: -80.441 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: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -833.738338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.738338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.738338 (E_RNA) where: Base-Base interactions energy: -396.190 where: short stacking energy: -227.289 Base-Backbone interact. energy: 2.753 local terms energy: -440.302223 where: bonds (distance) C4'-P energy: -128.192 bonds (distance) P-C4' energy: -150.756 flat angles C4'-P-C4' energy: -118.751 flat angles P-C4'-P energy: -60.714 tors. eta vs tors. theta energy: 18.111 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: 9 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2722.562077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.562077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.562077 (E_RNA) where: Base-Base interactions energy: -1852.561 where: short stacking energy: -795.291 Base-Backbone interact. energy: -1.985 local terms energy: -868.015411 where: bonds (distance) C4'-P energy: -152.585 bonds (distance) P-C4' energy: -170.787 flat angles C4'-P-C4' energy: -191.483 flat angles P-C4'-P energy: -120.283 tors. eta vs tors. theta energy: -232.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2595.096063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.096063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.096063 (E_RNA) where: Base-Base interactions energy: -1784.989 where: short stacking energy: -725.963 Base-Backbone interact. energy: -2.554 local terms energy: -807.552888 where: bonds (distance) C4'-P energy: -157.516 bonds (distance) P-C4' energy: -158.775 flat angles C4'-P-C4' energy: -185.001 flat angles P-C4'-P energy: -105.038 tors. eta vs tors. theta energy: -201.223 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: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2395.236019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.236019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.236019 (E_RNA) where: Base-Base interactions energy: -1609.194 where: short stacking energy: -699.878 Base-Backbone interact. energy: -2.155 local terms energy: -783.886903 where: bonds (distance) C4'-P energy: -152.114 bonds (distance) P-C4' energy: -143.512 flat angles C4'-P-C4' energy: -173.560 flat angles P-C4'-P energy: -113.577 tors. eta vs tors. theta energy: -201.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2178.409491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.409491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.409491 (E_RNA) where: Base-Base interactions energy: -1480.667 where: short stacking energy: -610.271 Base-Backbone interact. energy: 8.392 local terms energy: -706.134619 where: bonds (distance) C4'-P energy: -135.996 bonds (distance) P-C4' energy: -160.371 flat angles C4'-P-C4' energy: -159.647 flat angles P-C4'-P energy: -100.990 tors. eta vs tors. theta energy: -149.131 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: 116 Temperature: 1.100000 Total energy: -2131.417677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.417677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.417677 (E_RNA) where: Base-Base interactions energy: -1358.853 where: short stacking energy: -605.813 Base-Backbone interact. energy: 3.357 local terms energy: -775.922478 where: bonds (distance) C4'-P energy: -160.636 bonds (distance) P-C4' energy: -168.590 flat angles C4'-P-C4' energy: -167.015 flat angles P-C4'-P energy: -105.870 tors. eta vs tors. theta energy: -173.812 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: 6, replica: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1968.941405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.941405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.941405 (E_RNA) where: Base-Base interactions energy: -1281.157 where: short stacking energy: -546.140 Base-Backbone interact. energy: 4.992 local terms energy: -692.776638 where: bonds (distance) C4'-P energy: -148.029 bonds (distance) P-C4' energy: -147.799 flat angles C4'-P-C4' energy: -163.241 flat angles P-C4'-P energy: -98.353 tors. eta vs tors. theta energy: -135.355 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: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1770.938098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.938098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.938098 (E_RNA) where: Base-Base interactions energy: -1178.129 where: short stacking energy: -483.329 Base-Backbone interact. energy: 2.238 local terms energy: -595.047751 where: bonds (distance) C4'-P energy: -153.965 bonds (distance) P-C4' energy: -115.534 flat angles C4'-P-C4' energy: -135.890 flat angles P-C4'-P energy: -78.132 tors. eta vs tors. theta energy: -111.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1336.667099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.667099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.667099 (E_RNA) where: Base-Base interactions energy: -825.638 where: short stacking energy: -382.256 Base-Backbone interact. energy: -2.907 local terms energy: -508.122298 where: bonds (distance) C4'-P energy: -125.991 bonds (distance) P-C4' energy: -131.414 flat angles C4'-P-C4' energy: -132.800 flat angles P-C4'-P energy: -74.092 tors. eta vs tors. theta energy: -43.826 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: 1 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -896.332334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.332334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.332334 (E_RNA) where: Base-Base interactions energy: -436.454 where: short stacking energy: -228.718 Base-Backbone interact. energy: -0.726 local terms energy: -459.152246 where: bonds (distance) C4'-P energy: -130.845 bonds (distance) P-C4' energy: -145.958 flat angles C4'-P-C4' energy: -116.196 flat angles P-C4'-P energy: -68.431 tors. eta vs tors. theta energy: 2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -768.280437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.280437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.280437 (E_RNA) where: Base-Base interactions energy: -369.777 where: short stacking energy: -197.804 Base-Backbone interact. energy: 5.792 local terms energy: -404.295645 where: bonds (distance) C4'-P energy: -120.921 bonds (distance) P-C4' energy: -132.772 flat angles C4'-P-C4' energy: -90.397 flat angles P-C4'-P energy: -74.317 tors. eta vs tors. theta energy: 14.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2725.529882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.529882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.529882 (E_RNA) where: Base-Base interactions energy: -1847.390 where: short stacking energy: -804.075 Base-Backbone interact. energy: -2.220 local terms energy: -875.919483 where: bonds (distance) C4'-P energy: -161.284 bonds (distance) P-C4' energy: -148.136 flat angles C4'-P-C4' energy: -198.980 flat angles P-C4'-P energy: -141.393 tors. eta vs tors. theta energy: -226.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2571.400972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.400972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.400972 (E_RNA) where: Base-Base interactions energy: -1753.182 where: short stacking energy: -720.549 Base-Backbone interact. energy: -5.198 local terms energy: -813.020713 where: bonds (distance) C4'-P energy: -157.309 bonds (distance) P-C4' energy: -162.095 flat angles C4'-P-C4' energy: -189.375 flat angles P-C4'-P energy: -114.225 tors. eta vs tors. theta energy: -190.016 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: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2431.235681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.235681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.235681 (E_RNA) where: Base-Base interactions energy: -1606.878 where: short stacking energy: -684.826 Base-Backbone interact. energy: -2.658 local terms energy: -821.699554 where: bonds (distance) C4'-P energy: -154.539 bonds (distance) P-C4' energy: -155.626 flat angles C4'-P-C4' energy: -171.230 flat angles P-C4'-P energy: -120.559 tors. eta vs tors. theta energy: -219.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2218.591667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.591667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.591667 (E_RNA) where: Base-Base interactions energy: -1445.084 where: short stacking energy: -658.290 Base-Backbone interact. energy: 4.171 local terms energy: -777.678203 where: bonds (distance) C4'-P energy: -155.205 bonds (distance) P-C4' energy: -160.891 flat angles C4'-P-C4' energy: -174.440 flat angles P-C4'-P energy: -99.676 tors. eta vs tors. theta energy: -187.465 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: 5, replica: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2118.127672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.127672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.127672 (E_RNA) where: Base-Base interactions energy: -1410.368 where: short stacking energy: -573.844 Base-Backbone interact. energy: -3.220 local terms energy: -704.538854 where: bonds (distance) C4'-P energy: -143.343 bonds (distance) P-C4' energy: -141.808 flat angles C4'-P-C4' energy: -173.432 flat angles P-C4'-P energy: -107.705 tors. eta vs tors. theta energy: -138.250 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: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2038.171695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.171695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.171695 (E_RNA) where: Base-Base interactions energy: -1368.365 where: short stacking energy: -572.765 Base-Backbone interact. energy: -2.246 local terms energy: -667.561575 where: bonds (distance) C4'-P energy: -155.078 bonds (distance) P-C4' energy: -135.611 flat angles C4'-P-C4' energy: -136.791 flat angles P-C4'-P energy: -90.395 tors. eta vs tors. theta energy: -149.686 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: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1775.846122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.846122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.846122 (E_RNA) where: Base-Base interactions energy: -1136.988 where: short stacking energy: -507.327 Base-Backbone interact. energy: 4.069 local terms energy: -642.927474 where: bonds (distance) C4'-P energy: -129.917 bonds (distance) P-C4' energy: -145.802 flat angles C4'-P-C4' energy: -165.897 flat angles P-C4'-P energy: -88.332 tors. eta vs tors. theta energy: -112.980 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: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1332.005027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.005027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.005027 (E_RNA) where: Base-Base interactions energy: -782.188 where: short stacking energy: -379.127 Base-Backbone interact. energy: 3.260 local terms energy: -553.077018 where: bonds (distance) C4'-P energy: -138.866 bonds (distance) P-C4' energy: -140.143 flat angles C4'-P-C4' energy: -114.577 flat angles P-C4'-P energy: -85.679 tors. eta vs tors. theta energy: -73.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -916.236646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.236646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.236646 (E_RNA) where: Base-Base interactions energy: -451.750 where: short stacking energy: -274.754 Base-Backbone interact. energy: -2.641 local terms energy: -461.844930 where: bonds (distance) C4'-P energy: -102.812 bonds (distance) P-C4' energy: -150.695 flat angles C4'-P-C4' energy: -125.121 flat angles P-C4'-P energy: -64.994 tors. eta vs tors. theta energy: -18.222 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: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -761.190429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.190429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.190429 (E_RNA) where: Base-Base interactions energy: -365.239 where: short stacking energy: -219.199 Base-Backbone interact. energy: 2.061 local terms energy: -398.012217 where: bonds (distance) C4'-P energy: -129.615 bonds (distance) P-C4' energy: -131.592 flat angles C4'-P-C4' energy: -87.672 flat angles P-C4'-P energy: -68.470 tors. eta vs tors. theta energy: 19.337 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: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2699.360053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.360053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.360053 (E_RNA) where: Base-Base interactions energy: -1812.268 where: short stacking energy: -791.576 Base-Backbone interact. energy: -2.599 local terms energy: -884.493469 where: bonds (distance) C4'-P energy: -169.304 bonds (distance) P-C4' energy: -175.767 flat angles C4'-P-C4' energy: -185.153 flat angles P-C4'-P energy: -128.734 tors. eta vs tors. theta energy: -225.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2633.072933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.072933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.072933 (E_RNA) where: Base-Base interactions energy: -1819.570 where: short stacking energy: -764.795 Base-Backbone interact. energy: -5.164 local terms energy: -808.339040 where: bonds (distance) C4'-P energy: -167.987 bonds (distance) P-C4' energy: -153.880 flat angles C4'-P-C4' energy: -173.854 flat angles P-C4'-P energy: -116.122 tors. eta vs tors. theta energy: -196.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2454.979461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.979461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.979461 (E_RNA) where: Base-Base interactions energy: -1648.305 where: short stacking energy: -709.256 Base-Backbone interact. energy: -3.509 local terms energy: -803.165764 where: bonds (distance) C4'-P energy: -153.488 bonds (distance) P-C4' energy: -141.646 flat angles C4'-P-C4' energy: -182.116 flat angles P-C4'-P energy: -114.992 tors. eta vs tors. theta energy: -210.923 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: 4, replica: 2 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2223.809750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.809750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.809750 (E_RNA) where: Base-Base interactions energy: -1445.972 where: short stacking energy: -662.875 Base-Backbone interact. energy: -0.771 local terms energy: -777.066566 where: bonds (distance) C4'-P energy: -142.216 bonds (distance) P-C4' energy: -157.233 flat angles C4'-P-C4' energy: -171.752 flat angles P-C4'-P energy: -123.693 tors. eta vs tors. theta energy: -182.173 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: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2079.725507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.725507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.725507 (E_RNA) where: Base-Base interactions energy: -1380.836 where: short stacking energy: -541.278 Base-Backbone interact. energy: 1.388 local terms energy: -700.278278 where: bonds (distance) C4'-P energy: -139.510 bonds (distance) P-C4' energy: -145.288 flat angles C4'-P-C4' energy: -179.233 flat angles P-C4'-P energy: -100.715 tors. eta vs tors. theta energy: -135.532 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: 6 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2058.555863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.555863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.555863 (E_RNA) where: Base-Base interactions energy: -1359.857 where: short stacking energy: -583.559 Base-Backbone interact. energy: -3.184 local terms energy: -695.515199 where: bonds (distance) C4'-P energy: -137.607 bonds (distance) P-C4' energy: -142.141 flat angles C4'-P-C4' energy: -169.556 flat angles P-C4'-P energy: -94.428 tors. eta vs tors. theta energy: -151.784 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: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1737.497164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.497164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.497164 (E_RNA) where: Base-Base interactions energy: -1113.047 where: short stacking energy: -508.735 Base-Backbone interact. energy: 7.039 local terms energy: -631.489694 where: bonds (distance) C4'-P energy: -141.290 bonds (distance) P-C4' energy: -151.979 flat angles C4'-P-C4' energy: -154.177 flat angles P-C4'-P energy: -86.375 tors. eta vs tors. theta energy: -97.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1307.318340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.318340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.318340 (E_RNA) where: Base-Base interactions energy: -813.598 where: short stacking energy: -389.716 Base-Backbone interact. energy: -0.722 local terms energy: -492.998335 where: bonds (distance) C4'-P energy: -116.828 bonds (distance) P-C4' energy: -118.220 flat angles C4'-P-C4' energy: -135.414 flat angles P-C4'-P energy: -60.486 tors. eta vs tors. theta energy: -62.052 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: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -914.748070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.748070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.748070 (E_RNA) where: Base-Base interactions energy: -463.356 where: short stacking energy: -260.731 Base-Backbone interact. energy: 2.525 local terms energy: -453.916847 where: bonds (distance) C4'-P energy: -120.647 bonds (distance) P-C4' energy: -143.098 flat angles C4'-P-C4' energy: -130.902 flat angles P-C4'-P energy: -75.844 tors. eta vs tors. theta energy: 16.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -707.761276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.761276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.761276 (E_RNA) where: Base-Base interactions energy: -260.304 where: short stacking energy: -175.248 Base-Backbone interact. energy: -1.989 local terms energy: -445.467893 where: bonds (distance) C4'-P energy: -140.043 bonds (distance) P-C4' energy: -137.872 flat angles C4'-P-C4' energy: -106.912 flat angles P-C4'-P energy: -81.576 tors. eta vs tors. theta energy: 20.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2705.492486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.492486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.492486 (E_RNA) where: Base-Base interactions energy: -1829.628 where: short stacking energy: -789.498 Base-Backbone interact. energy: -5.506 local terms energy: -870.358937 where: bonds (distance) C4'-P energy: -179.606 bonds (distance) P-C4' energy: -156.422 flat angles C4'-P-C4' energy: -191.887 flat angles P-C4'-P energy: -127.096 tors. eta vs tors. theta energy: -215.348 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: 2, replica: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2624.415783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.415783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.415783 (E_RNA) where: Base-Base interactions energy: -1751.124 where: short stacking energy: -759.364 Base-Backbone interact. energy: -6.221 local terms energy: -867.070397 where: bonds (distance) C4'-P energy: -163.285 bonds (distance) P-C4' energy: -173.241 flat angles C4'-P-C4' energy: -194.378 flat angles P-C4'-P energy: -122.069 tors. eta vs tors. theta energy: -214.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2452.754318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.754318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.754318 (E_RNA) where: Base-Base interactions energy: -1666.756 where: short stacking energy: -727.846 Base-Backbone interact. energy: -0.652 local terms energy: -785.346597 where: bonds (distance) C4'-P energy: -141.305 bonds (distance) P-C4' energy: -148.832 flat angles C4'-P-C4' energy: -177.591 flat angles P-C4'-P energy: -104.652 tors. eta vs tors. theta energy: -212.966 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: 2 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2238.483814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.483814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.483814 (E_RNA) where: Base-Base interactions energy: -1446.498 where: short stacking energy: -665.787 Base-Backbone interact. energy: -3.463 local terms energy: -788.523330 where: bonds (distance) C4'-P energy: -159.943 bonds (distance) P-C4' energy: -165.324 flat angles C4'-P-C4' energy: -172.076 flat angles P-C4'-P energy: -94.964 tors. eta vs tors. theta energy: -196.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2082.224957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.224957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.224957 (E_RNA) where: Base-Base interactions energy: -1356.723 where: short stacking energy: -583.493 Base-Backbone interact. energy: -4.123 local terms energy: -721.379490 where: bonds (distance) C4'-P energy: -152.854 bonds (distance) P-C4' energy: -149.636 flat angles C4'-P-C4' energy: -163.439 flat angles P-C4'-P energy: -107.561 tors. eta vs tors. theta energy: -147.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2062.863999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.863999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.863999 (E_RNA) where: Base-Base interactions energy: -1357.204 where: short stacking energy: -590.221 Base-Backbone interact. energy: -1.963 local terms energy: -703.696316 where: bonds (distance) C4'-P energy: -150.572 bonds (distance) P-C4' energy: -161.082 flat angles C4'-P-C4' energy: -161.289 flat angles P-C4'-P energy: -84.358 tors. eta vs tors. theta energy: -146.395 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: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1725.783716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.783716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.783716 (E_RNA) where: Base-Base interactions energy: -1124.212 where: short stacking energy: -485.325 Base-Backbone interact. energy: -1.069 local terms energy: -600.502703 where: bonds (distance) C4'-P energy: -136.912 bonds (distance) P-C4' energy: -135.087 flat angles C4'-P-C4' energy: -134.495 flat angles P-C4'-P energy: -92.552 tors. eta vs tors. theta energy: -101.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1346.625860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.625860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.625860 (E_RNA) where: Base-Base interactions energy: -754.731 where: short stacking energy: -376.321 Base-Backbone interact. energy: -0.574 local terms energy: -591.320620 where: bonds (distance) C4'-P energy: -132.554 bonds (distance) P-C4' energy: -164.828 flat angles C4'-P-C4' energy: -141.173 flat angles P-C4'-P energy: -84.611 tors. eta vs tors. theta energy: -68.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -914.360112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.360112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.360112 (E_RNA) where: Base-Base interactions energy: -454.427 where: short stacking energy: -253.518 Base-Backbone interact. energy: -3.753 local terms energy: -456.180070 where: bonds (distance) C4'-P energy: -134.823 bonds (distance) P-C4' energy: -132.256 flat angles C4'-P-C4' energy: -124.673 flat angles P-C4'-P energy: -66.924 tors. eta vs tors. theta energy: 2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -747.766008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.766008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.766008 (E_RNA) where: Base-Base interactions energy: -338.140 where: short stacking energy: -219.717 Base-Backbone interact. energy: 0.107 local terms energy: -409.733276 where: bonds (distance) C4'-P energy: -123.780 bonds (distance) P-C4' energy: -129.528 flat angles C4'-P-C4' energy: -107.177 flat angles P-C4'-P energy: -54.972 tors. eta vs tors. theta energy: 5.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2688.243488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.243488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.243488 (E_RNA) where: Base-Base interactions energy: -1814.820 where: short stacking energy: -804.027 Base-Backbone interact. energy: -1.148 local terms energy: -872.275904 where: bonds (distance) C4'-P energy: -158.215 bonds (distance) P-C4' energy: -181.705 flat angles C4'-P-C4' energy: -177.447 flat angles P-C4'-P energy: -120.356 tors. eta vs tors. theta energy: -234.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2591.176405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.176405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.176405 (E_RNA) where: Base-Base interactions energy: -1807.674 where: short stacking energy: -752.116 Base-Backbone interact. energy: -4.936 local terms energy: -778.566414 where: bonds (distance) C4'-P energy: -142.070 bonds (distance) P-C4' energy: -155.970 flat angles C4'-P-C4' energy: -165.561 flat angles P-C4'-P energy: -115.833 tors. eta vs tors. theta energy: -199.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2471.122152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.122152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.122152 (E_RNA) where: Base-Base interactions energy: -1674.793 where: short stacking energy: -736.437 Base-Backbone interact. energy: -0.067 local terms energy: -796.261726 where: bonds (distance) C4'-P energy: -155.739 bonds (distance) P-C4' energy: -162.377 flat angles C4'-P-C4' energy: -181.809 flat angles P-C4'-P energy: -85.407 tors. eta vs tors. theta energy: -210.929 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: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2210.028131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.028131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.028131 (E_RNA) where: Base-Base interactions energy: -1439.714 where: short stacking energy: -614.731 Base-Backbone interact. energy: -2.522 local terms energy: -767.792471 where: bonds (distance) C4'-P energy: -156.859 bonds (distance) P-C4' energy: -158.551 flat angles C4'-P-C4' energy: -167.149 flat angles P-C4'-P energy: -116.175 tors. eta vs tors. theta energy: -169.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2150.176185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.176185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.176185 (E_RNA) where: Base-Base interactions energy: -1426.613 where: short stacking energy: -619.558 Base-Backbone interact. energy: 4.781 local terms energy: -728.345129 where: bonds (distance) C4'-P energy: -151.087 bonds (distance) P-C4' energy: -142.702 flat angles C4'-P-C4' energy: -166.517 flat angles P-C4'-P energy: -110.026 tors. eta vs tors. theta energy: -158.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1974.796746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.796746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.796746 (E_RNA) where: Base-Base interactions energy: -1330.982 where: short stacking energy: -572.496 Base-Backbone interact. energy: 1.664 local terms energy: -645.478716 where: bonds (distance) C4'-P energy: -135.283 bonds (distance) P-C4' energy: -130.082 flat angles C4'-P-C4' energy: -148.329 flat angles P-C4'-P energy: -95.806 tors. eta vs tors. theta energy: -135.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1771.577651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.577651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.577651 (E_RNA) where: Base-Base interactions energy: -1108.193 where: short stacking energy: -486.606 Base-Backbone interact. energy: -3.168 local terms energy: -660.216260 where: bonds (distance) C4'-P energy: -154.308 bonds (distance) P-C4' energy: -139.587 flat angles C4'-P-C4' energy: -155.741 flat angles P-C4'-P energy: -96.784 tors. eta vs tors. theta energy: -113.796 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: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1294.679552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.679552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.679552 (E_RNA) where: Base-Base interactions energy: -742.337 where: short stacking energy: -374.368 Base-Backbone interact. energy: -0.781 local terms energy: -551.561687 where: bonds (distance) C4'-P energy: -146.159 bonds (distance) P-C4' energy: -141.443 flat angles C4'-P-C4' energy: -120.742 flat angles P-C4'-P energy: -86.196 tors. eta vs tors. theta energy: -57.022 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: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -938.574541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.574541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.574541 (E_RNA) where: Base-Base interactions energy: -509.190 where: short stacking energy: -249.887 Base-Backbone interact. energy: 1.764 local terms energy: -431.148524 where: bonds (distance) C4'-P energy: -122.121 bonds (distance) P-C4' energy: -147.937 flat angles C4'-P-C4' energy: -94.878 flat angles P-C4'-P energy: -79.149 tors. eta vs tors. theta energy: 12.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -757.863672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.863672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.863672 (E_RNA) where: Base-Base interactions energy: -348.229 where: short stacking energy: -212.332 Base-Backbone interact. energy: 6.169 local terms energy: -415.803621 where: bonds (distance) C4'-P energy: -124.802 bonds (distance) P-C4' energy: -119.248 flat angles C4'-P-C4' energy: -123.906 flat angles P-C4'-P energy: -68.873 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: 1, replica: 9 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2679.360047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.360047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.360047 (E_RNA) where: Base-Base interactions energy: -1804.028 where: short stacking energy: -791.033 Base-Backbone interact. energy: -3.140 local terms energy: -872.191915 where: bonds (distance) C4'-P energy: -165.687 bonds (distance) P-C4' energy: -168.676 flat angles C4'-P-C4' energy: -181.678 flat angles P-C4'-P energy: -124.770 tors. eta vs tors. theta energy: -231.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2596.028963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.028963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.028963 (E_RNA) where: Base-Base interactions energy: -1792.408 where: short stacking energy: -767.754 Base-Backbone interact. energy: -1.878 local terms energy: -801.743137 where: bonds (distance) C4'-P energy: -150.281 bonds (distance) P-C4' energy: -167.122 flat angles C4'-P-C4' energy: -171.579 flat angles P-C4'-P energy: -108.949 tors. eta vs tors. theta energy: -203.813 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: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2465.822928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.822928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.822928 (E_RNA) where: Base-Base interactions energy: -1698.735 where: short stacking energy: -715.548 Base-Backbone interact. energy: 0.273 local terms energy: -767.360197 where: bonds (distance) C4'-P energy: -141.222 bonds (distance) P-C4' energy: -157.382 flat angles C4'-P-C4' energy: -167.304 flat angles P-C4'-P energy: -104.418 tors. eta vs tors. theta energy: -197.034 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: 121 Temperature: 1.050000 Total energy: -2279.501580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.501580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.501580 (E_RNA) where: Base-Base interactions energy: -1509.746 where: short stacking energy: -728.678 Base-Backbone interact. energy: 0.519 local terms energy: -770.273967 where: bonds (distance) C4'-P energy: -163.012 bonds (distance) P-C4' energy: -148.421 flat angles C4'-P-C4' energy: -164.206 flat angles P-C4'-P energy: -105.828 tors. eta vs tors. theta energy: -188.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2218.621221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.621221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.621221 (E_RNA) where: Base-Base interactions energy: -1477.977 where: short stacking energy: -653.459 Base-Backbone interact. energy: 6.005 local terms energy: -746.648768 where: bonds (distance) C4'-P energy: -142.155 bonds (distance) P-C4' energy: -154.342 flat angles C4'-P-C4' energy: -155.164 flat angles P-C4'-P energy: -110.745 tors. eta vs tors. theta energy: -184.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1885.795108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.795108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.795108 (E_RNA) where: Base-Base interactions energy: -1227.188 where: short stacking energy: -548.643 Base-Backbone interact. energy: -1.453 local terms energy: -657.153969 where: bonds (distance) C4'-P energy: -127.509 bonds (distance) P-C4' energy: -142.956 flat angles C4'-P-C4' energy: -155.194 flat angles P-C4'-P energy: -97.445 tors. eta vs tors. theta energy: -134.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1812.673231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.673231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.673231 (E_RNA) where: Base-Base interactions energy: -1223.024 where: short stacking energy: -529.190 Base-Backbone interact. energy: 3.500 local terms energy: -593.150031 where: bonds (distance) C4'-P energy: -148.870 bonds (distance) P-C4' energy: -131.946 flat angles C4'-P-C4' energy: -117.300 flat angles P-C4'-P energy: -92.160 tors. eta vs tors. theta energy: -102.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1237.088564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.088564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.088564 (E_RNA) where: Base-Base interactions energy: -701.370 where: short stacking energy: -374.248 Base-Backbone interact. energy: -0.337 local terms energy: -535.381521 where: bonds (distance) C4'-P energy: -142.959 bonds (distance) P-C4' energy: -153.340 flat angles C4'-P-C4' energy: -111.723 flat angles P-C4'-P energy: -75.391 tors. eta vs tors. theta energy: -51.968 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: 9, replica: 1 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -905.037665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.037665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.037665 (E_RNA) where: Base-Base interactions energy: -454.911 where: short stacking energy: -267.826 Base-Backbone interact. energy: 3.787 local terms energy: -453.913076 where: bonds (distance) C4'-P energy: -125.826 bonds (distance) P-C4' energy: -119.121 flat angles C4'-P-C4' energy: -117.694 flat angles P-C4'-P energy: -87.122 tors. eta vs tors. theta energy: -4.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -744.266070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.266070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.266070 (E_RNA) where: Base-Base interactions energy: -332.969 where: short stacking energy: -218.388 Base-Backbone interact. energy: 6.417 local terms energy: -417.713488 where: bonds (distance) C4'-P energy: -121.053 bonds (distance) P-C4' energy: -144.387 flat angles C4'-P-C4' energy: -112.634 flat angles P-C4'-P energy: -60.505 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: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2719.921304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.921304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.921304 (E_RNA) where: Base-Base interactions energy: -1856.264 where: short stacking energy: -825.810 Base-Backbone interact. energy: 2.423 local terms energy: -866.080353 where: bonds (distance) C4'-P energy: -155.843 bonds (distance) P-C4' energy: -160.157 flat angles C4'-P-C4' energy: -193.612 flat angles P-C4'-P energy: -135.178 tors. eta vs tors. theta energy: -221.290 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: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2596.800840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.800840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.800840 (E_RNA) where: Base-Base interactions energy: -1782.653 where: short stacking energy: -761.304 Base-Backbone interact. energy: 1.236 local terms energy: -815.384066 where: bonds (distance) C4'-P energy: -162.289 bonds (distance) P-C4' energy: -156.411 flat angles C4'-P-C4' energy: -179.977 flat angles P-C4'-P energy: -110.191 tors. eta vs tors. theta energy: -206.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2502.707984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.707984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.707984 (E_RNA) where: Base-Base interactions energy: -1682.525 where: short stacking energy: -740.143 Base-Backbone interact. energy: 2.727 local terms energy: -822.910083 where: bonds (distance) C4'-P energy: -150.754 bonds (distance) P-C4' energy: -151.325 flat angles C4'-P-C4' energy: -178.032 flat angles P-C4'-P energy: -129.906 tors. eta vs tors. theta energy: -212.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2203.374671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.374671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.374671 (E_RNA) where: Base-Base interactions energy: -1468.956 where: short stacking energy: -655.379 Base-Backbone interact. energy: -1.990 local terms energy: -732.428733 where: bonds (distance) C4'-P energy: -142.601 bonds (distance) P-C4' energy: -145.626 flat angles C4'-P-C4' energy: -172.842 flat angles P-C4'-P energy: -88.199 tors. eta vs tors. theta energy: -183.161 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: 122 Temperature: 1.100000 Total energy: -2202.400147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.400147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.400147 (E_RNA) where: Base-Base interactions energy: -1463.414 where: short stacking energy: -618.320 Base-Backbone interact. energy: 2.166 local terms energy: -741.153017 where: bonds (distance) C4'-P energy: -141.203 bonds (distance) P-C4' energy: -146.008 flat angles C4'-P-C4' energy: -170.410 flat angles P-C4'-P energy: -115.602 tors. eta vs tors. theta energy: -167.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1840.292265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.292265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.292265 (E_RNA) where: Base-Base interactions energy: -1164.937 where: short stacking energy: -533.160 Base-Backbone interact. energy: -2.761 local terms energy: -672.594350 where: bonds (distance) C4'-P energy: -136.148 bonds (distance) P-C4' energy: -136.011 flat angles C4'-P-C4' energy: -154.148 flat angles P-C4'-P energy: -101.857 tors. eta vs tors. theta energy: -144.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1654.347465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.347465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.347465 (E_RNA) where: Base-Base interactions energy: -1095.583 where: short stacking energy: -476.523 Base-Backbone interact. energy: -1.055 local terms energy: -557.710172 where: bonds (distance) C4'-P energy: -127.954 bonds (distance) P-C4' energy: -139.341 flat angles C4'-P-C4' energy: -130.088 flat angles P-C4'-P energy: -82.790 tors. eta vs tors. theta energy: -77.538 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: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1278.530821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.530821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.530821 (E_RNA) where: Base-Base interactions energy: -725.261 where: short stacking energy: -352.812 Base-Backbone interact. energy: 1.268 local terms energy: -554.538093 where: bonds (distance) C4'-P energy: -131.094 bonds (distance) P-C4' energy: -153.484 flat angles C4'-P-C4' energy: -141.443 flat angles P-C4'-P energy: -71.577 tors. eta vs tors. theta energy: -56.940 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: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -913.208581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.208581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.208581 (E_RNA) where: Base-Base interactions energy: -444.859 where: short stacking energy: -241.493 Base-Backbone interact. energy: -0.116 local terms energy: -468.233077 where: bonds (distance) C4'-P energy: -143.638 bonds (distance) P-C4' energy: -148.505 flat angles C4'-P-C4' energy: -119.727 flat angles P-C4'-P energy: -63.343 tors. eta vs tors. theta energy: 6.980 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: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -741.890576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.890576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.890576 (E_RNA) where: Base-Base interactions energy: -323.487 where: short stacking energy: -192.341 Base-Backbone interact. energy: 6.747 local terms energy: -425.150602 where: bonds (distance) C4'-P energy: -127.872 bonds (distance) P-C4' energy: -138.223 flat angles C4'-P-C4' energy: -120.899 flat angles P-C4'-P energy: -74.666 tors. eta vs tors. theta energy: 36.509 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: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2721.522921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.522921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.522921 (E_RNA) where: Base-Base interactions energy: -1861.056 where: short stacking energy: -801.541 Base-Backbone interact. energy: -0.459 local terms energy: -860.007865 where: bonds (distance) C4'-P energy: -162.747 bonds (distance) P-C4' energy: -159.639 flat angles C4'-P-C4' energy: -189.820 flat angles P-C4'-P energy: -126.553 tors. eta vs tors. theta energy: -221.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2568.761942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.761942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.761942 (E_RNA) where: Base-Base interactions energy: -1764.296 where: short stacking energy: -734.740 Base-Backbone interact. energy: -3.921 local terms energy: -800.545449 where: bonds (distance) C4'-P energy: -156.515 bonds (distance) P-C4' energy: -157.264 flat angles C4'-P-C4' energy: -189.663 flat angles P-C4'-P energy: -90.833 tors. eta vs tors. theta energy: -206.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2484.082543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.082543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.082543 (E_RNA) where: Base-Base interactions energy: -1674.369 where: short stacking energy: -696.071 Base-Backbone interact. energy: -4.445 local terms energy: -805.268571 where: bonds (distance) C4'-P energy: -146.053 bonds (distance) P-C4' energy: -169.621 flat angles C4'-P-C4' energy: -175.311 flat angles P-C4'-P energy: -110.784 tors. eta vs tors. theta energy: -203.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2187.778757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.778757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.778757 (E_RNA) where: Base-Base interactions energy: -1414.664 where: short stacking energy: -627.663 Base-Backbone interact. energy: -1.798 local terms energy: -771.317223 where: bonds (distance) C4'-P energy: -157.768 bonds (distance) P-C4' energy: -162.125 flat angles C4'-P-C4' energy: -168.796 flat angles P-C4'-P energy: -124.085 tors. eta vs tors. theta energy: -158.543 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: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2145.476094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.476094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.476094 (E_RNA) where: Base-Base interactions energy: -1424.451 where: short stacking energy: -602.880 Base-Backbone interact. energy: -4.238 local terms energy: -716.787098 where: bonds (distance) C4'-P energy: -144.656 bonds (distance) P-C4' energy: -148.640 flat angles C4'-P-C4' energy: -160.304 flat angles P-C4'-P energy: -107.158 tors. eta vs tors. theta energy: -156.029 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: 123 Temperature: 1.150000 Total energy: -1875.694714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.694714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.694714 (E_RNA) where: Base-Base interactions energy: -1213.247 where: short stacking energy: -518.554 Base-Backbone interact. energy: -3.492 local terms energy: -658.956201 where: bonds (distance) C4'-P energy: -135.483 bonds (distance) P-C4' energy: -138.656 flat angles C4'-P-C4' energy: -152.117 flat angles P-C4'-P energy: -109.302 tors. eta vs tors. theta energy: -123.399 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: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1760.486449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.486449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.486449 (E_RNA) where: Base-Base interactions energy: -1143.473 where: short stacking energy: -488.995 Base-Backbone interact. energy: -3.545 local terms energy: -613.468867 where: bonds (distance) C4'-P energy: -144.018 bonds (distance) P-C4' energy: -154.076 flat angles C4'-P-C4' energy: -145.267 flat angles P-C4'-P energy: -80.188 tors. eta vs tors. theta energy: -89.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1232.053433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.053433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.053433 (E_RNA) where: Base-Base interactions energy: -703.856 where: short stacking energy: -346.399 Base-Backbone interact. energy: 1.055 local terms energy: -529.252796 where: bonds (distance) C4'-P energy: -142.340 bonds (distance) P-C4' energy: -146.814 flat angles C4'-P-C4' energy: -120.590 flat angles P-C4'-P energy: -99.580 tors. eta vs tors. theta energy: -19.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -981.224692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.224692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.224692 (E_RNA) where: Base-Base interactions energy: -537.951 where: short stacking energy: -274.352 Base-Backbone interact. energy: -0.920 local terms energy: -442.353137 where: bonds (distance) C4'-P energy: -133.157 bonds (distance) P-C4' energy: -120.470 flat angles C4'-P-C4' energy: -107.121 flat angles P-C4'-P energy: -72.856 tors. eta vs tors. theta energy: -8.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -803.466918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.466918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.466918 (E_RNA) where: Base-Base interactions energy: -400.984 where: short stacking energy: -243.429 Base-Backbone interact. energy: 0.332 local terms energy: -402.814136 where: bonds (distance) C4'-P energy: -118.471 bonds (distance) P-C4' energy: -124.997 flat angles C4'-P-C4' energy: -121.020 flat angles P-C4'-P energy: -56.299 tors. eta vs tors. theta energy: 17.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2711.385942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.385942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.385942 (E_RNA) where: Base-Base interactions energy: -1848.645 where: short stacking energy: -838.613 Base-Backbone interact. energy: -2.287 local terms energy: -860.452974 where: bonds (distance) C4'-P energy: -143.669 bonds (distance) P-C4' energy: -167.870 flat angles C4'-P-C4' energy: -198.073 flat angles P-C4'-P energy: -125.385 tors. eta vs tors. theta energy: -225.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2620.349850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.349850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.349850 (E_RNA) where: Base-Base interactions energy: -1770.374 where: short stacking energy: -750.212 Base-Backbone interact. energy: -4.609 local terms energy: -845.366765 where: bonds (distance) C4'-P energy: -158.372 bonds (distance) P-C4' energy: -171.716 flat angles C4'-P-C4' energy: -175.897 flat angles P-C4'-P energy: -127.607 tors. eta vs tors. theta energy: -211.774 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: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2498.379950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.379950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.379950 (E_RNA) where: Base-Base interactions energy: -1688.669 where: short stacking energy: -717.441 Base-Backbone interact. energy: -4.545 local terms energy: -805.165979 where: bonds (distance) C4'-P energy: -143.024 bonds (distance) P-C4' energy: -160.552 flat angles C4'-P-C4' energy: -178.242 flat angles P-C4'-P energy: -102.090 tors. eta vs tors. theta energy: -221.258 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: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2201.506325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.506325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.506325 (E_RNA) where: Base-Base interactions energy: -1467.064 where: short stacking energy: -619.057 Base-Backbone interact. energy: -1.277 local terms energy: -733.164950 where: bonds (distance) C4'-P energy: -154.103 bonds (distance) P-C4' energy: -157.116 flat angles C4'-P-C4' energy: -168.855 flat angles P-C4'-P energy: -103.354 tors. eta vs tors. theta energy: -149.737 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: 124 Temperature: 1.100000 Total energy: -2134.132668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.132668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.132668 (E_RNA) where: Base-Base interactions energy: -1412.344 where: short stacking energy: -625.897 Base-Backbone interact. energy: 1.377 local terms energy: -723.166043 where: bonds (distance) C4'-P energy: -137.547 bonds (distance) P-C4' energy: -162.079 flat angles C4'-P-C4' energy: -154.254 flat angles P-C4'-P energy: -99.832 tors. eta vs tors. theta energy: -169.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1940.520571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.520571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.520571 (E_RNA) where: Base-Base interactions energy: -1261.564 where: short stacking energy: -563.018 Base-Backbone interact. energy: 1.549 local terms energy: -680.505207 where: bonds (distance) C4'-P energy: -140.265 bonds (distance) P-C4' energy: -143.567 flat angles C4'-P-C4' energy: -157.884 flat angles P-C4'-P energy: -95.168 tors. eta vs tors. theta energy: -143.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1790.716741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.716741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.716741 (E_RNA) where: Base-Base interactions energy: -1185.512 where: short stacking energy: -497.458 Base-Backbone interact. energy: -3.059 local terms energy: -602.146546 where: bonds (distance) C4'-P energy: -144.061 bonds (distance) P-C4' energy: -123.682 flat angles C4'-P-C4' energy: -140.993 flat angles P-C4'-P energy: -98.386 tors. eta vs tors. theta energy: -95.023 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: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1277.795114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.795114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.795114 (E_RNA) where: Base-Base interactions energy: -730.135 where: short stacking energy: -370.831 Base-Backbone interact. energy: 0.392 local terms energy: -548.051692 where: bonds (distance) C4'-P energy: -150.922 bonds (distance) P-C4' energy: -156.392 flat angles C4'-P-C4' energy: -118.438 flat angles P-C4'-P energy: -81.585 tors. eta vs tors. theta energy: -40.714 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: 1 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -993.170464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.170464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.170464 (E_RNA) where: Base-Base interactions energy: -495.079 where: short stacking energy: -253.423 Base-Backbone interact. energy: 4.006 local terms energy: -502.097086 where: bonds (distance) C4'-P energy: -134.371 bonds (distance) P-C4' energy: -136.639 flat angles C4'-P-C4' energy: -139.408 flat angles P-C4'-P energy: -73.354 tors. eta vs tors. theta energy: -18.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -784.707610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.707610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.707610 (E_RNA) where: Base-Base interactions energy: -368.484 where: short stacking energy: -208.550 Base-Backbone interact. energy: 1.044 local terms energy: -417.267483 where: bonds (distance) C4'-P energy: -115.805 bonds (distance) P-C4' energy: -142.658 flat angles C4'-P-C4' energy: -112.037 flat angles P-C4'-P energy: -59.114 tors. eta vs tors. theta energy: 12.346 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: 9 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2716.359861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.359861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.359861 (E_RNA) where: Base-Base interactions energy: -1853.687 where: short stacking energy: -818.799 Base-Backbone interact. energy: -3.371 local terms energy: -859.301661 where: bonds (distance) C4'-P energy: -155.139 bonds (distance) P-C4' energy: -166.147 flat angles C4'-P-C4' energy: -181.256 flat angles P-C4'-P energy: -120.298 tors. eta vs tors. theta energy: -236.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2562.707736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.707736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.707736 (E_RNA) where: Base-Base interactions energy: -1721.543 where: short stacking energy: -757.269 Base-Backbone interact. energy: -4.376 local terms energy: -836.789159 where: bonds (distance) C4'-P energy: -171.731 bonds (distance) P-C4' energy: -149.965 flat angles C4'-P-C4' energy: -172.326 flat angles P-C4'-P energy: -135.624 tors. eta vs tors. theta energy: -207.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2522.200656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.200656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.200656 (E_RNA) where: Base-Base interactions energy: -1724.276 where: short stacking energy: -708.015 Base-Backbone interact. energy: 1.202 local terms energy: -799.126260 where: bonds (distance) C4'-P energy: -163.538 bonds (distance) P-C4' energy: -159.827 flat angles C4'-P-C4' energy: -179.345 flat angles P-C4'-P energy: -93.357 tors. eta vs tors. theta energy: -203.059 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: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2215.326253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.326253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.326253 (E_RNA) where: Base-Base interactions energy: -1458.928 where: short stacking energy: -653.426 Base-Backbone interact. energy: 0.225 local terms energy: -756.623289 where: bonds (distance) C4'-P energy: -148.968 bonds (distance) P-C4' energy: -155.962 flat angles C4'-P-C4' energy: -164.562 flat angles P-C4'-P energy: -112.668 tors. eta vs tors. theta energy: -174.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2114.617636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.617636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.617636 (E_RNA) where: Base-Base interactions energy: -1376.280 where: short stacking energy: -591.675 Base-Backbone interact. energy: -0.177 local terms energy: -738.160537 where: bonds (distance) C4'-P energy: -143.211 bonds (distance) P-C4' energy: -157.931 flat angles C4'-P-C4' energy: -159.141 flat angles P-C4'-P energy: -117.069 tors. eta vs tors. theta energy: -160.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1902.108664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.108664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.108664 (E_RNA) where: Base-Base interactions energy: -1250.616 where: short stacking energy: -545.524 Base-Backbone interact. energy: 0.063 local terms energy: -651.556473 where: bonds (distance) C4'-P energy: -149.751 bonds (distance) P-C4' energy: -139.033 flat angles C4'-P-C4' energy: -133.137 flat angles P-C4'-P energy: -99.961 tors. eta vs tors. theta energy: -129.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1832.524301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.524301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.524301 (E_RNA) where: Base-Base interactions energy: -1150.073 where: short stacking energy: -541.575 Base-Backbone interact. energy: -0.742 local terms energy: -681.710083 where: bonds (distance) C4'-P energy: -146.407 bonds (distance) P-C4' energy: -141.016 flat angles C4'-P-C4' energy: -166.760 flat angles P-C4'-P energy: -92.306 tors. eta vs tors. theta energy: -135.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1249.602972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.602972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.602972 (E_RNA) where: Base-Base interactions energy: -697.950 where: short stacking energy: -334.005 Base-Backbone interact. energy: 2.503 local terms energy: -554.155829 where: bonds (distance) C4'-P energy: -139.428 bonds (distance) P-C4' energy: -151.017 flat angles C4'-P-C4' energy: -148.075 flat angles P-C4'-P energy: -73.553 tors. eta vs tors. theta energy: -42.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -978.658219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.658219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.658219 (E_RNA) where: Base-Base interactions energy: -504.421 where: short stacking energy: -286.829 Base-Backbone interact. energy: 5.151 local terms energy: -479.388135 where: bonds (distance) C4'-P energy: -139.447 bonds (distance) P-C4' energy: -124.390 flat angles C4'-P-C4' energy: -136.498 flat angles P-C4'-P energy: -65.025 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: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -773.397599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.397599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.397599 (E_RNA) where: Base-Base interactions energy: -342.433 where: short stacking energy: -204.001 Base-Backbone interact. energy: -5.935 local terms energy: -425.030063 where: bonds (distance) C4'-P energy: -117.823 bonds (distance) P-C4' energy: -162.901 flat angles C4'-P-C4' energy: -115.374 flat angles P-C4'-P energy: -68.410 tors. eta vs tors. theta energy: 39.477 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: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2714.614032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.614032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.614032 (E_RNA) where: Base-Base interactions energy: -1838.682 where: short stacking energy: -809.288 Base-Backbone interact. energy: -1.935 local terms energy: -873.997355 where: bonds (distance) C4'-P energy: -162.439 bonds (distance) P-C4' energy: -168.835 flat angles C4'-P-C4' energy: -185.135 flat angles P-C4'-P energy: -135.640 tors. eta vs tors. theta energy: -221.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2616.450577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.450577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.450577 (E_RNA) where: Base-Base interactions energy: -1779.327 where: short stacking energy: -799.399 Base-Backbone interact. energy: 2.067 local terms energy: -839.189845 where: bonds (distance) C4'-P energy: -156.253 bonds (distance) P-C4' energy: -171.550 flat angles C4'-P-C4' energy: -167.144 flat angles P-C4'-P energy: -111.442 tors. eta vs tors. theta energy: -232.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2463.776792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.776792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.776792 (E_RNA) where: Base-Base interactions energy: -1682.299 where: short stacking energy: -713.330 Base-Backbone interact. energy: 0.178 local terms energy: -781.656279 where: bonds (distance) C4'-P energy: -138.473 bonds (distance) P-C4' energy: -151.729 flat angles C4'-P-C4' energy: -172.681 flat angles P-C4'-P energy: -120.830 tors. eta vs tors. theta energy: -197.942 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: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2233.997133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.997133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.997133 (E_RNA) where: Base-Base interactions energy: -1483.899 where: short stacking energy: -673.123 Base-Backbone interact. energy: -0.500 local terms energy: -749.597723 where: bonds (distance) C4'-P energy: -144.653 bonds (distance) P-C4' energy: -146.209 flat angles C4'-P-C4' energy: -160.094 flat angles P-C4'-P energy: -109.613 tors. eta vs tors. theta energy: -189.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2115.208090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.208090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.208090 (E_RNA) where: Base-Base interactions energy: -1413.961 where: short stacking energy: -629.718 Base-Backbone interact. energy: 0.794 local terms energy: -702.041247 where: bonds (distance) C4'-P energy: -147.324 bonds (distance) P-C4' energy: -143.113 flat angles C4'-P-C4' energy: -158.226 flat angles P-C4'-P energy: -92.884 tors. eta vs tors. theta energy: -160.494 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: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1956.258248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.258248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.258248 (E_RNA) where: Base-Base interactions energy: -1336.931 where: short stacking energy: -571.251 Base-Backbone interact. energy: -5.098 local terms energy: -614.229129 where: bonds (distance) C4'-P energy: -118.932 bonds (distance) P-C4' energy: -139.809 flat angles C4'-P-C4' energy: -156.576 flat angles P-C4'-P energy: -79.464 tors. eta vs tors. theta energy: -119.448 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: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1780.830176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.830176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.830176 (E_RNA) where: Base-Base interactions energy: -1178.932 where: short stacking energy: -509.015 Base-Backbone interact. energy: 0.704 local terms energy: -602.602964 where: bonds (distance) C4'-P energy: -123.762 bonds (distance) P-C4' energy: -137.729 flat angles C4'-P-C4' energy: -143.001 flat angles P-C4'-P energy: -90.063 tors. eta vs tors. theta energy: -108.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1294.961100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.961100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.961100 (E_RNA) where: Base-Base interactions energy: -753.080 where: short stacking energy: -358.685 Base-Backbone interact. energy: 1.590 local terms energy: -543.471290 where: bonds (distance) C4'-P energy: -129.059 bonds (distance) P-C4' energy: -139.819 flat angles C4'-P-C4' energy: -133.916 flat angles P-C4'-P energy: -91.038 tors. eta vs tors. theta energy: -49.640 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: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -948.993008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.993008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.993008 (E_RNA) where: Base-Base interactions energy: -474.779 where: short stacking energy: -278.066 Base-Backbone interact. energy: -5.511 local terms energy: -468.702989 where: bonds (distance) C4'-P energy: -122.670 bonds (distance) P-C4' energy: -137.586 flat angles C4'-P-C4' energy: -111.589 flat angles P-C4'-P energy: -89.920 tors. eta vs tors. theta energy: -6.939 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: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -733.919684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.919684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.919684 (E_RNA) where: Base-Base interactions energy: -310.008 where: short stacking energy: -209.235 Base-Backbone interact. energy: 5.884 local terms energy: -429.796495 where: bonds (distance) C4'-P energy: -131.056 bonds (distance) P-C4' energy: -147.392 flat angles C4'-P-C4' energy: -117.397 flat angles P-C4'-P energy: -53.111 tors. eta vs tors. theta energy: 19.159 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: 1, replica: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2699.833433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.833433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.833433 (E_RNA) where: Base-Base interactions energy: -1828.417 where: short stacking energy: -785.441 Base-Backbone interact. energy: -5.945 local terms energy: -865.470978 where: bonds (distance) C4'-P energy: -164.434 bonds (distance) P-C4' energy: -183.185 flat angles C4'-P-C4' energy: -179.101 flat angles P-C4'-P energy: -121.074 tors. eta vs tors. theta energy: -217.677 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: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2626.550163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.550163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.550163 (E_RNA) where: Base-Base interactions energy: -1760.327 where: short stacking energy: -771.133 Base-Backbone interact. energy: -1.934 local terms energy: -864.288340 where: bonds (distance) C4'-P energy: -154.865 bonds (distance) P-C4' energy: -168.550 flat angles C4'-P-C4' energy: -191.854 flat angles P-C4'-P energy: -113.738 tors. eta vs tors. theta energy: -235.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2472.171127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.171127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.171127 (E_RNA) where: Base-Base interactions energy: -1674.045 where: short stacking energy: -710.868 Base-Backbone interact. energy: -2.510 local terms energy: -795.617010 where: bonds (distance) C4'-P energy: -166.222 bonds (distance) P-C4' energy: -132.703 flat angles C4'-P-C4' energy: -176.661 flat angles P-C4'-P energy: -119.488 tors. eta vs tors. theta energy: -200.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2280.642879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.642879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.642879 (E_RNA) where: Base-Base interactions energy: -1521.454 where: short stacking energy: -655.626 Base-Backbone interact. energy: -1.848 local terms energy: -757.340697 where: bonds (distance) C4'-P energy: -146.770 bonds (distance) P-C4' energy: -160.138 flat angles C4'-P-C4' energy: -160.251 flat angles P-C4'-P energy: -109.850 tors. eta vs tors. theta energy: -180.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2081.704744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.704744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.704744 (E_RNA) where: Base-Base interactions energy: -1356.271 where: short stacking energy: -581.293 Base-Backbone interact. energy: -2.243 local terms energy: -723.191164 where: bonds (distance) C4'-P energy: -128.907 bonds (distance) P-C4' energy: -153.701 flat angles C4'-P-C4' energy: -163.561 flat angles P-C4'-P energy: -109.226 tors. eta vs tors. theta energy: -167.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1898.295238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.295238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.295238 (E_RNA) where: Base-Base interactions energy: -1243.742 where: short stacking energy: -498.489 Base-Backbone interact. energy: -3.714 local terms energy: -650.839520 where: bonds (distance) C4'-P energy: -126.724 bonds (distance) P-C4' energy: -161.038 flat angles C4'-P-C4' energy: -152.439 flat angles P-C4'-P energy: -103.208 tors. eta vs tors. theta energy: -107.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1793.856185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.856185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.856185 (E_RNA) where: Base-Base interactions energy: -1177.250 where: short stacking energy: -517.882 Base-Backbone interact. energy: 0.146 local terms energy: -616.751349 where: bonds (distance) C4'-P energy: -133.841 bonds (distance) P-C4' energy: -141.395 flat angles C4'-P-C4' energy: -139.447 flat angles P-C4'-P energy: -94.954 tors. eta vs tors. theta energy: -107.114 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: 8, replica: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1273.797111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.797111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.797111 (E_RNA) where: Base-Base interactions energy: -734.137 where: short stacking energy: -349.916 Base-Backbone interact. energy: -2.019 local terms energy: -537.641496 where: bonds (distance) C4'-P energy: -127.196 bonds (distance) P-C4' energy: -144.822 flat angles C4'-P-C4' energy: -129.645 flat angles P-C4'-P energy: -88.548 tors. eta vs tors. theta energy: -47.430 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: 1 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -871.000772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.000772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.000772 (E_RNA) where: Base-Base interactions energy: -443.785 where: short stacking energy: -267.418 Base-Backbone interact. energy: -2.482 local terms energy: -424.733762 where: bonds (distance) C4'-P energy: -137.639 bonds (distance) P-C4' energy: -128.599 flat angles C4'-P-C4' energy: -119.158 flat angles P-C4'-P energy: -48.336 tors. eta vs tors. theta energy: 8.998 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: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -742.607473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.607473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.607473 (E_RNA) where: Base-Base interactions energy: -294.080 where: short stacking energy: -200.371 Base-Backbone interact. energy: 1.634 local terms energy: -450.161751 where: bonds (distance) C4'-P energy: -135.635 bonds (distance) P-C4' energy: -150.778 flat angles C4'-P-C4' energy: -104.818 flat angles P-C4'-P energy: -57.288 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: 1, replica: 9 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2768.902354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.902354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.902354 (E_RNA) where: Base-Base interactions energy: -1893.734 where: short stacking energy: -828.791 Base-Backbone interact. energy: -5.361 local terms energy: -869.807233 where: bonds (distance) C4'-P energy: -137.647 bonds (distance) P-C4' energy: -183.963 flat angles C4'-P-C4' energy: -188.613 flat angles P-C4'-P energy: -115.976 tors. eta vs tors. theta energy: -243.609 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: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2598.134118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.134118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.134118 (E_RNA) where: Base-Base interactions energy: -1760.992 where: short stacking energy: -761.421 Base-Backbone interact. energy: 0.229 local terms energy: -837.370852 where: bonds (distance) C4'-P energy: -163.155 bonds (distance) P-C4' energy: -164.681 flat angles C4'-P-C4' energy: -177.862 flat angles P-C4'-P energy: -110.504 tors. eta vs tors. theta energy: -221.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2436.734609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.734609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.734609 (E_RNA) where: Base-Base interactions energy: -1636.343 where: short stacking energy: -706.099 Base-Backbone interact. energy: -4.249 local terms energy: -796.143057 where: bonds (distance) C4'-P energy: -160.810 bonds (distance) P-C4' energy: -155.438 flat angles C4'-P-C4' energy: -163.344 flat angles P-C4'-P energy: -122.591 tors. eta vs tors. theta energy: -193.961 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: 4, replica: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2254.026243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.026243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.026243 (E_RNA) where: Base-Base interactions energy: -1503.232 where: short stacking energy: -651.448 Base-Backbone interact. energy: 3.285 local terms energy: -754.080142 where: bonds (distance) C4'-P energy: -150.964 bonds (distance) P-C4' energy: -164.289 flat angles C4'-P-C4' energy: -159.847 flat angles P-C4'-P energy: -97.949 tors. eta vs tors. theta energy: -181.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2130.027214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.027214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.027214 (E_RNA) where: Base-Base interactions energy: -1404.863 where: short stacking energy: -631.645 Base-Backbone interact. energy: 2.749 local terms energy: -727.913022 where: bonds (distance) C4'-P energy: -137.394 bonds (distance) P-C4' energy: -161.717 flat angles C4'-P-C4' energy: -161.378 flat angles P-C4'-P energy: -109.364 tors. eta vs tors. theta energy: -158.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1961.737987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.737987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.737987 (E_RNA) where: Base-Base interactions energy: -1303.346 where: short stacking energy: -531.882 Base-Backbone interact. energy: -1.021 local terms energy: -657.371163 where: bonds (distance) C4'-P energy: -143.642 bonds (distance) P-C4' energy: -130.834 flat angles C4'-P-C4' energy: -148.554 flat angles P-C4'-P energy: -106.230 tors. eta vs tors. theta energy: -128.110 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: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1807.405122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.405122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.405122 (E_RNA) where: Base-Base interactions energy: -1159.155 where: short stacking energy: -526.741 Base-Backbone interact. energy: -3.141 local terms energy: -645.109015 where: bonds (distance) C4'-P energy: -147.447 bonds (distance) P-C4' energy: -133.149 flat angles C4'-P-C4' energy: -147.400 flat angles P-C4'-P energy: -86.094 tors. eta vs tors. theta energy: -131.018 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: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1315.231696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.231696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.231696 (E_RNA) where: Base-Base interactions energy: -753.083 where: short stacking energy: -369.136 Base-Backbone interact. energy: 4.131 local terms energy: -566.279707 where: bonds (distance) C4'-P energy: -139.106 bonds (distance) P-C4' energy: -154.633 flat angles C4'-P-C4' energy: -123.573 flat angles P-C4'-P energy: -82.962 tors. eta vs tors. theta energy: -66.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -896.040107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.040107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.040107 (E_RNA) where: Base-Base interactions energy: -411.643 where: short stacking energy: -269.420 Base-Backbone interact. energy: 0.204 local terms energy: -484.601769 where: bonds (distance) C4'-P energy: -128.376 bonds (distance) P-C4' energy: -136.344 flat angles C4'-P-C4' energy: -140.481 flat angles P-C4'-P energy: -64.280 tors. eta vs tors. theta energy: -15.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -722.162511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.162511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.162511 (E_RNA) where: Base-Base interactions energy: -306.515 where: short stacking energy: -206.547 Base-Backbone interact. energy: 10.167 local terms energy: -425.814365 where: bonds (distance) C4'-P energy: -121.277 bonds (distance) P-C4' energy: -131.750 flat angles C4'-P-C4' energy: -103.895 flat angles P-C4'-P energy: -80.996 tors. eta vs tors. theta energy: 12.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2692.726853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.726853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.726853 (E_RNA) where: Base-Base interactions energy: -1824.296 where: short stacking energy: -784.469 Base-Backbone interact. energy: -0.124 local terms energy: -868.306974 where: bonds (distance) C4'-P energy: -169.079 bonds (distance) P-C4' energy: -167.400 flat angles C4'-P-C4' energy: -193.540 flat angles P-C4'-P energy: -115.837 tors. eta vs tors. theta energy: -222.450 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: 2, replica: 7 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2604.070534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.070534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.070534 (E_RNA) where: Base-Base interactions energy: -1770.750 where: short stacking energy: -779.470 Base-Backbone interact. energy: -1.044 local terms energy: -832.275881 where: bonds (distance) C4'-P energy: -159.193 bonds (distance) P-C4' energy: -146.599 flat angles C4'-P-C4' energy: -175.581 flat angles P-C4'-P energy: -124.539 tors. eta vs tors. theta energy: -226.365 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: 8 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2447.779403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.779403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.779403 (E_RNA) where: Base-Base interactions energy: -1682.235 where: short stacking energy: -727.419 Base-Backbone interact. energy: -0.394 local terms energy: -765.150194 where: bonds (distance) C4'-P energy: -152.943 bonds (distance) P-C4' energy: -157.690 flat angles C4'-P-C4' energy: -163.453 flat angles P-C4'-P energy: -106.019 tors. eta vs tors. theta energy: -185.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2293.252052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.252052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.252052 (E_RNA) where: Base-Base interactions energy: -1566.673 where: short stacking energy: -668.162 Base-Backbone interact. energy: -1.971 local terms energy: -724.608132 where: bonds (distance) C4'-P energy: -142.447 bonds (distance) P-C4' energy: -135.372 flat angles C4'-P-C4' energy: -168.965 flat angles P-C4'-P energy: -108.878 tors. eta vs tors. theta energy: -168.946 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: 129 Temperature: 1.100000 Total energy: -2137.428707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.428707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.428707 (E_RNA) where: Base-Base interactions energy: -1403.665 where: short stacking energy: -631.864 Base-Backbone interact. energy: 2.188 local terms energy: -735.951376 where: bonds (distance) C4'-P energy: -134.751 bonds (distance) P-C4' energy: -152.948 flat angles C4'-P-C4' energy: -166.178 flat angles P-C4'-P energy: -106.742 tors. eta vs tors. theta energy: -175.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1908.466993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.466993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.466993 (E_RNA) where: Base-Base interactions energy: -1230.068 where: short stacking energy: -560.936 Base-Backbone interact. energy: -2.774 local terms energy: -675.625169 where: bonds (distance) C4'-P energy: -132.822 bonds (distance) P-C4' energy: -150.649 flat angles C4'-P-C4' energy: -150.748 flat angles P-C4'-P energy: -111.568 tors. eta vs tors. theta energy: -129.838 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: 4 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1770.135953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.135953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.135953 (E_RNA) where: Base-Base interactions energy: -1147.718 where: short stacking energy: -503.884 Base-Backbone interact. energy: -3.952 local terms energy: -618.466166 where: bonds (distance) C4'-P energy: -129.672 bonds (distance) P-C4' energy: -136.569 flat angles C4'-P-C4' energy: -152.827 flat angles P-C4'-P energy: -92.805 tors. eta vs tors. theta energy: -106.594 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: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1266.676485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.676485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.676485 (E_RNA) where: Base-Base interactions energy: -710.029 where: short stacking energy: -338.298 Base-Backbone interact. energy: 1.198 local terms energy: -557.845023 where: bonds (distance) C4'-P energy: -130.718 bonds (distance) P-C4' energy: -129.656 flat angles C4'-P-C4' energy: -147.434 flat angles P-C4'-P energy: -97.499 tors. eta vs tors. theta energy: -52.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -892.398382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.398382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.398382 (E_RNA) where: Base-Base interactions energy: -419.221 where: short stacking energy: -263.605 Base-Backbone interact. energy: 1.760 local terms energy: -474.936475 where: bonds (distance) C4'-P energy: -142.820 bonds (distance) P-C4' energy: -142.351 flat angles C4'-P-C4' energy: -126.935 flat angles P-C4'-P energy: -51.686 tors. eta vs tors. theta energy: -11.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -730.849827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.849827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.849827 (E_RNA) where: Base-Base interactions energy: -310.210 where: short stacking energy: -215.723 Base-Backbone interact. energy: -0.249 local terms energy: -420.391632 where: bonds (distance) C4'-P energy: -131.722 bonds (distance) P-C4' energy: -135.523 flat angles C4'-P-C4' energy: -109.515 flat angles P-C4'-P energy: -56.918 tors. eta vs tors. theta energy: 13.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2682.370041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.370041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.370041 (E_RNA) where: Base-Base interactions energy: -1821.193 where: short stacking energy: -798.515 Base-Backbone interact. energy: 4.282 local terms energy: -865.459418 where: bonds (distance) C4'-P energy: -154.569 bonds (distance) P-C4' energy: -165.199 flat angles C4'-P-C4' energy: -197.626 flat angles P-C4'-P energy: -127.521 tors. eta vs tors. theta energy: -220.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2596.725442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.725442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.725442 (E_RNA) where: Base-Base interactions energy: -1767.492 where: short stacking energy: -788.024 Base-Backbone interact. energy: -1.366 local terms energy: -827.867792 where: bonds (distance) C4'-P energy: -151.390 bonds (distance) P-C4' energy: -169.937 flat angles C4'-P-C4' energy: -173.365 flat angles P-C4'-P energy: -105.636 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: 3, replica: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2501.783786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.783786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.783786 (E_RNA) where: Base-Base interactions energy: -1731.853 where: short stacking energy: -721.550 Base-Backbone interact. energy: -2.379 local terms energy: -767.552384 where: bonds (distance) C4'-P energy: -142.525 bonds (distance) P-C4' energy: -151.887 flat angles C4'-P-C4' energy: -168.137 flat angles P-C4'-P energy: -110.827 tors. eta vs tors. theta energy: -194.177 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: 4, replica: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2323.302115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.302115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.302115 (E_RNA) where: Base-Base interactions energy: -1560.483 where: short stacking energy: -654.872 Base-Backbone interact. energy: -1.851 local terms energy: -760.967972 where: bonds (distance) C4'-P energy: -130.628 bonds (distance) P-C4' energy: -159.173 flat angles C4'-P-C4' energy: -165.202 flat angles P-C4'-P energy: -112.188 tors. eta vs tors. theta energy: -193.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2140.198390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.198390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.198390 (E_RNA) where: Base-Base interactions energy: -1428.855 where: short stacking energy: -637.407 Base-Backbone interact. energy: -1.003 local terms energy: -710.341179 where: bonds (distance) C4'-P energy: -129.025 bonds (distance) P-C4' energy: -155.842 flat angles C4'-P-C4' energy: -163.583 flat angles P-C4'-P energy: -88.141 tors. eta vs tors. theta energy: -173.749 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: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1812.057667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.057667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.057667 (E_RNA) where: Base-Base interactions energy: -1162.167 where: short stacking energy: -475.329 Base-Backbone interact. energy: -3.120 local terms energy: -646.770229 where: bonds (distance) C4'-P energy: -127.380 bonds (distance) P-C4' energy: -156.715 flat angles C4'-P-C4' energy: -139.701 flat angles P-C4'-P energy: -108.095 tors. eta vs tors. theta energy: -114.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1962.845098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.845098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.845098 (E_RNA) where: Base-Base interactions energy: -1328.246 where: short stacking energy: -574.295 Base-Backbone interact. energy: 3.204 local terms energy: -637.803253 where: bonds (distance) C4'-P energy: -116.182 bonds (distance) P-C4' energy: -145.161 flat angles C4'-P-C4' energy: -160.222 flat angles P-C4'-P energy: -61.051 tors. eta vs tors. theta energy: -155.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1293.909097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.909097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.909097 (E_RNA) where: Base-Base interactions energy: -747.194 where: short stacking energy: -359.207 Base-Backbone interact. energy: -0.023 local terms energy: -546.692580 where: bonds (distance) C4'-P energy: -148.776 bonds (distance) P-C4' energy: -147.847 flat angles C4'-P-C4' energy: -123.849 flat angles P-C4'-P energy: -82.184 tors. eta vs tors. theta energy: -44.036 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: 1 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -909.598834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.598834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.598834 (E_RNA) where: Base-Base interactions energy: -451.618 where: short stacking energy: -243.370 Base-Backbone interact. energy: -3.865 local terms energy: -454.116535 where: bonds (distance) C4'-P energy: -118.648 bonds (distance) P-C4' energy: -154.578 flat angles C4'-P-C4' energy: -102.102 flat angles P-C4'-P energy: -90.161 tors. eta vs tors. theta energy: 11.373 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: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -800.697586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.697586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.697586 (E_RNA) where: Base-Base interactions energy: -389.249 where: short stacking energy: -218.401 Base-Backbone interact. energy: 0.190 local terms energy: -411.638775 where: bonds (distance) C4'-P energy: -133.515 bonds (distance) P-C4' energy: -131.141 flat angles C4'-P-C4' energy: -111.129 flat angles P-C4'-P energy: -43.513 tors. eta vs tors. theta energy: 7.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2718.106124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.106124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.106124 (E_RNA) where: Base-Base interactions energy: -1845.280 where: short stacking energy: -845.679 Base-Backbone interact. energy: -2.243 local terms energy: -870.582939 where: bonds (distance) C4'-P energy: -157.970 bonds (distance) P-C4' energy: -164.820 flat angles C4'-P-C4' energy: -183.603 flat angles P-C4'-P energy: -114.911 tors. eta vs tors. theta energy: -249.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2582.755102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.755102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.755102 (E_RNA) where: Base-Base interactions energy: -1783.654 where: short stacking energy: -759.225 Base-Backbone interact. energy: 3.042 local terms energy: -802.143740 where: bonds (distance) C4'-P energy: -166.447 bonds (distance) P-C4' energy: -147.711 flat angles C4'-P-C4' energy: -180.854 flat angles P-C4'-P energy: -103.672 tors. eta vs tors. theta energy: -203.460 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: 131 Temperature: 1.000000 Total energy: -2432.250969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.250969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.250969 (E_RNA) where: Base-Base interactions energy: -1675.644 where: short stacking energy: -704.488 Base-Backbone interact. energy: -2.881 local terms energy: -753.726502 where: bonds (distance) C4'-P energy: -153.484 bonds (distance) P-C4' energy: -153.462 flat angles C4'-P-C4' energy: -161.589 flat angles P-C4'-P energy: -111.214 tors. eta vs tors. theta energy: -173.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2367.726582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.726582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.726582 (E_RNA) where: Base-Base interactions energy: -1602.948 where: short stacking energy: -702.602 Base-Backbone interact. energy: 0.748 local terms energy: -765.526220 where: bonds (distance) C4'-P energy: -153.011 bonds (distance) P-C4' energy: -155.776 flat angles C4'-P-C4' energy: -158.162 flat angles P-C4'-P energy: -98.057 tors. eta vs tors. theta energy: -200.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2155.565241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.565241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.565241 (E_RNA) where: Base-Base interactions energy: -1419.224 where: short stacking energy: -625.965 Base-Backbone interact. energy: -0.676 local terms energy: -735.665290 where: bonds (distance) C4'-P energy: -132.842 bonds (distance) P-C4' energy: -161.334 flat angles C4'-P-C4' energy: -171.934 flat angles P-C4'-P energy: -106.341 tors. eta vs tors. theta energy: -163.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2040.273798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.273798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.273798 (E_RNA) where: Base-Base interactions energy: -1359.590 where: short stacking energy: -575.455 Base-Backbone interact. energy: 3.927 local terms energy: -684.611206 where: bonds (distance) C4'-P energy: -146.500 bonds (distance) P-C4' energy: -130.599 flat angles C4'-P-C4' energy: -156.539 flat angles P-C4'-P energy: -99.246 tors. eta vs tors. theta energy: -151.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1694.539879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.539879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.539879 (E_RNA) where: Base-Base interactions energy: -1085.055 where: short stacking energy: -483.123 Base-Backbone interact. energy: -0.611 local terms energy: -608.873567 where: bonds (distance) C4'-P energy: -127.059 bonds (distance) P-C4' energy: -150.245 flat angles C4'-P-C4' energy: -152.851 flat angles P-C4'-P energy: -89.253 tors. eta vs tors. theta energy: -89.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1304.466506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.466506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.466506 (E_RNA) where: Base-Base interactions energy: -742.325 where: short stacking energy: -361.707 Base-Backbone interact. energy: -0.001 local terms energy: -562.140613 where: bonds (distance) C4'-P energy: -131.317 bonds (distance) P-C4' energy: -165.196 flat angles C4'-P-C4' energy: -136.752 flat angles P-C4'-P energy: -68.675 tors. eta vs tors. theta energy: -60.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -949.136908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.136908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.136908 (E_RNA) where: Base-Base interactions energy: -481.605 where: short stacking energy: -271.286 Base-Backbone interact. energy: -0.166 local terms energy: -467.366234 where: bonds (distance) C4'-P energy: -112.729 bonds (distance) P-C4' energy: -141.061 flat angles C4'-P-C4' energy: -118.453 flat angles P-C4'-P energy: -83.047 tors. eta vs tors. theta energy: -12.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -782.072933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.072933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.072933 (E_RNA) where: Base-Base interactions energy: -335.619 where: short stacking energy: -205.999 Base-Backbone interact. energy: -3.116 local terms energy: -443.337830 where: bonds (distance) C4'-P energy: -143.579 bonds (distance) P-C4' energy: -123.601 flat angles C4'-P-C4' energy: -114.424 flat angles P-C4'-P energy: -74.748 tors. eta vs tors. theta energy: 13.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2697.418016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.418016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.418016 (E_RNA) where: Base-Base interactions energy: -1840.427 where: short stacking energy: -816.967 Base-Backbone interact. energy: 1.416 local terms energy: -858.406878 where: bonds (distance) C4'-P energy: -158.778 bonds (distance) P-C4' energy: -155.353 flat angles C4'-P-C4' energy: -187.679 flat angles P-C4'-P energy: -117.982 tors. eta vs tors. theta energy: -238.614 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: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2560.445706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.445706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.445706 (E_RNA) where: Base-Base interactions energy: -1755.770 where: short stacking energy: -751.322 Base-Backbone interact. energy: 1.148 local terms energy: -805.823790 where: bonds (distance) C4'-P energy: -165.566 bonds (distance) P-C4' energy: -160.510 flat angles C4'-P-C4' energy: -170.989 flat angles P-C4'-P energy: -110.850 tors. eta vs tors. theta energy: -197.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2432.622345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.622345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.622345 (E_RNA) where: Base-Base interactions energy: -1625.816 where: short stacking energy: -676.740 Base-Backbone interact. energy: -5.058 local terms energy: -801.747853 where: bonds (distance) C4'-P energy: -164.431 bonds (distance) P-C4' energy: -154.173 flat angles C4'-P-C4' energy: -175.242 flat angles P-C4'-P energy: -124.442 tors. eta vs tors. theta energy: -183.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2396.023172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.023172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.023172 (E_RNA) where: Base-Base interactions energy: -1614.313 where: short stacking energy: -705.416 Base-Backbone interact. energy: -1.590 local terms energy: -780.120100 where: bonds (distance) C4'-P energy: -150.882 bonds (distance) P-C4' energy: -154.117 flat angles C4'-P-C4' energy: -182.590 flat angles P-C4'-P energy: -109.698 tors. eta vs tors. theta energy: -182.832 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: 132 Temperature: 1.100000 Total energy: -2132.477243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.477243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.477243 (E_RNA) where: Base-Base interactions energy: -1392.186 where: short stacking energy: -592.146 Base-Backbone interact. energy: -3.317 local terms energy: -736.974441 where: bonds (distance) C4'-P energy: -158.934 bonds (distance) P-C4' energy: -146.402 flat angles C4'-P-C4' energy: -167.247 flat angles P-C4'-P energy: -99.461 tors. eta vs tors. theta energy: -164.931 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: 132 Temperature: 1.150000 Total energy: -2039.649823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.649823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.649823 (E_RNA) where: Base-Base interactions energy: -1350.433 where: short stacking energy: -617.989 Base-Backbone interact. energy: -3.430 local terms energy: -685.787253 where: bonds (distance) C4'-P energy: -147.871 bonds (distance) P-C4' energy: -121.105 flat angles C4'-P-C4' energy: -161.589 flat angles P-C4'-P energy: -99.305 tors. eta vs tors. theta energy: -155.918 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: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1708.560987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.560987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.560987 (E_RNA) where: Base-Base interactions energy: -1094.137 where: short stacking energy: -461.609 Base-Backbone interact. energy: -2.470 local terms energy: -611.953800 where: bonds (distance) C4'-P energy: -128.145 bonds (distance) P-C4' energy: -141.744 flat angles C4'-P-C4' energy: -140.490 flat angles P-C4'-P energy: -108.642 tors. eta vs tors. theta energy: -92.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1272.849033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.849033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.849033 (E_RNA) where: Base-Base interactions energy: -742.414 where: short stacking energy: -344.632 Base-Backbone interact. energy: -0.388 local terms energy: -530.047263 where: bonds (distance) C4'-P energy: -133.546 bonds (distance) P-C4' energy: -155.603 flat angles C4'-P-C4' energy: -113.742 flat angles P-C4'-P energy: -65.322 tors. eta vs tors. theta energy: -61.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -951.732472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.732472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.732472 (E_RNA) where: Base-Base interactions energy: -490.398 where: short stacking energy: -260.587 Base-Backbone interact. energy: -2.899 local terms energy: -458.435040 where: bonds (distance) C4'-P energy: -139.017 bonds (distance) P-C4' energy: -154.189 flat angles C4'-P-C4' energy: -82.947 flat angles P-C4'-P energy: -69.085 tors. eta vs tors. theta energy: -13.198 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: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -770.992616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.992616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.992616 (E_RNA) where: Base-Base interactions energy: -339.190 where: short stacking energy: -204.723 Base-Backbone interact. energy: 3.124 local terms energy: -434.927109 where: bonds (distance) C4'-P energy: -136.505 bonds (distance) P-C4' energy: -136.399 flat angles C4'-P-C4' energy: -111.215 flat angles P-C4'-P energy: -65.654 tors. eta vs tors. theta energy: 14.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2734.994968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.994968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.994968 (E_RNA) where: Base-Base interactions energy: -1834.632 where: short stacking energy: -829.522 Base-Backbone interact. energy: -3.715 local terms energy: -896.648048 where: bonds (distance) C4'-P energy: -162.346 bonds (distance) P-C4' energy: -176.201 flat angles C4'-P-C4' energy: -202.154 flat angles P-C4'-P energy: -112.356 tors. eta vs tors. theta energy: -243.591 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: 2, replica: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2522.142184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.142184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.142184 (E_RNA) where: Base-Base interactions energy: -1718.148 where: short stacking energy: -716.406 Base-Backbone interact. energy: -3.013 local terms energy: -800.981472 where: bonds (distance) C4'-P energy: -157.428 bonds (distance) P-C4' energy: -152.432 flat angles C4'-P-C4' energy: -183.118 flat angles P-C4'-P energy: -114.510 tors. eta vs tors. theta energy: -193.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2436.773474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.773474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.773474 (E_RNA) where: Base-Base interactions energy: -1646.059 where: short stacking energy: -678.305 Base-Backbone interact. energy: -11.853 local terms energy: -778.861241 where: bonds (distance) C4'-P energy: -140.411 bonds (distance) P-C4' energy: -163.701 flat angles C4'-P-C4' energy: -174.492 flat angles P-C4'-P energy: -115.735 tors. eta vs tors. theta energy: -184.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2436.224006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.224006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.224006 (E_RNA) where: Base-Base interactions energy: -1664.293 where: short stacking energy: -688.927 Base-Backbone interact. energy: 3.333 local terms energy: -775.263813 where: bonds (distance) C4'-P energy: -148.169 bonds (distance) P-C4' energy: -167.186 flat angles C4'-P-C4' energy: -165.042 flat angles P-C4'-P energy: -113.409 tors. eta vs tors. theta energy: -181.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2144.332146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.332146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.332146 (E_RNA) where: Base-Base interactions energy: -1412.957 where: short stacking energy: -610.868 Base-Backbone interact. energy: -2.693 local terms energy: -728.681264 where: bonds (distance) C4'-P energy: -160.277 bonds (distance) P-C4' energy: -147.228 flat angles C4'-P-C4' energy: -168.976 flat angles P-C4'-P energy: -85.583 tors. eta vs tors. theta energy: -166.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2038.760062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.760062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.760062 (E_RNA) where: Base-Base interactions energy: -1368.358 where: short stacking energy: -609.080 Base-Backbone interact. energy: -2.419 local terms energy: -667.982214 where: bonds (distance) C4'-P energy: -137.602 bonds (distance) P-C4' energy: -118.482 flat angles C4'-P-C4' energy: -166.552 flat angles P-C4'-P energy: -82.996 tors. eta vs tors. theta energy: -162.350 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: 3 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1756.242872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.242872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.242872 (E_RNA) where: Base-Base interactions energy: -1147.554 where: short stacking energy: -480.962 Base-Backbone interact. energy: -0.078 local terms energy: -608.611347 where: bonds (distance) C4'-P energy: -133.415 bonds (distance) P-C4' energy: -142.269 flat angles C4'-P-C4' energy: -145.605 flat angles P-C4'-P energy: -83.617 tors. eta vs tors. theta energy: -103.705 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: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1219.725466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.725466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.725466 (E_RNA) where: Base-Base interactions energy: -695.237 where: short stacking energy: -335.431 Base-Backbone interact. energy: -3.336 local terms energy: -521.152277 where: bonds (distance) C4'-P energy: -139.063 bonds (distance) P-C4' energy: -143.709 flat angles C4'-P-C4' energy: -121.520 flat angles P-C4'-P energy: -90.715 tors. eta vs tors. theta energy: -26.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1018.298010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.298010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.298010 (E_RNA) where: Base-Base interactions energy: -521.325 where: short stacking energy: -264.601 Base-Backbone interact. energy: -1.663 local terms energy: -495.310380 where: bonds (distance) C4'-P energy: -137.318 bonds (distance) P-C4' energy: -143.332 flat angles C4'-P-C4' energy: -118.027 flat angles P-C4'-P energy: -84.060 tors. eta vs tors. theta energy: -12.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -772.716296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.716296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.716296 (E_RNA) where: Base-Base interactions energy: -364.539 where: short stacking energy: -213.790 Base-Backbone interact. energy: 4.963 local terms energy: -413.140170 where: bonds (distance) C4'-P energy: -126.624 bonds (distance) P-C4' energy: -138.269 flat angles C4'-P-C4' energy: -121.468 flat angles P-C4'-P energy: -48.431 tors. eta vs tors. theta energy: 21.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2722.737931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.737931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.737931 (E_RNA) where: Base-Base interactions energy: -1856.793 where: short stacking energy: -791.608 Base-Backbone interact. energy: -1.729 local terms energy: -864.215868 where: bonds (distance) C4'-P energy: -151.039 bonds (distance) P-C4' energy: -168.226 flat angles C4'-P-C4' energy: -197.228 flat angles P-C4'-P energy: -112.822 tors. eta vs tors. theta energy: -234.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2557.773685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.773685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.773685 (E_RNA) where: Base-Base interactions energy: -1723.485 where: short stacking energy: -748.004 Base-Backbone interact. energy: 2.262 local terms energy: -836.551299 where: bonds (distance) C4'-P energy: -154.778 bonds (distance) P-C4' energy: -148.614 flat angles C4'-P-C4' energy: -188.064 flat angles P-C4'-P energy: -133.246 tors. eta vs tors. theta energy: -211.849 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: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2463.996624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.996624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.996624 (E_RNA) where: Base-Base interactions energy: -1655.570 where: short stacking energy: -749.064 Base-Backbone interact. energy: -3.782 local terms energy: -804.644011 where: bonds (distance) C4'-P energy: -150.660 bonds (distance) P-C4' energy: -158.377 flat angles C4'-P-C4' energy: -182.728 flat angles P-C4'-P energy: -112.970 tors. eta vs tors. theta energy: -199.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2347.911962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.911962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.911962 (E_RNA) where: Base-Base interactions energy: -1588.215 where: short stacking energy: -682.230 Base-Backbone interact. energy: 3.378 local terms energy: -763.074826 where: bonds (distance) C4'-P energy: -152.111 bonds (distance) P-C4' energy: -159.185 flat angles C4'-P-C4' energy: -175.912 flat angles P-C4'-P energy: -106.521 tors. eta vs tors. theta energy: -169.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2157.369514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.369514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.369514 (E_RNA) where: Base-Base interactions energy: -1398.099 where: short stacking energy: -597.837 Base-Backbone interact. energy: -3.870 local terms energy: -755.400646 where: bonds (distance) C4'-P energy: -135.275 bonds (distance) P-C4' energy: -158.764 flat angles C4'-P-C4' energy: -175.458 flat angles P-C4'-P energy: -114.929 tors. eta vs tors. theta energy: -170.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1997.108069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.108069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.108069 (E_RNA) where: Base-Base interactions energy: -1314.910 where: short stacking energy: -593.011 Base-Backbone interact. energy: -4.806 local terms energy: -677.392008 where: bonds (distance) C4'-P energy: -129.196 bonds (distance) P-C4' energy: -154.828 flat angles C4'-P-C4' energy: -151.177 flat angles P-C4'-P energy: -97.647 tors. eta vs tors. theta energy: -144.544 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: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1633.793005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.793005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.793005 (E_RNA) where: Base-Base interactions energy: -1061.265 where: short stacking energy: -455.972 Base-Backbone interact. energy: -1.927 local terms energy: -570.601293 where: bonds (distance) C4'-P energy: -138.236 bonds (distance) P-C4' energy: -121.968 flat angles C4'-P-C4' energy: -136.800 flat angles P-C4'-P energy: -93.158 tors. eta vs tors. theta energy: -80.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1257.544470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.544470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.544470 (E_RNA) where: Base-Base interactions energy: -733.189 where: short stacking energy: -372.466 Base-Backbone interact. energy: 1.895 local terms energy: -526.249937 where: bonds (distance) C4'-P energy: -128.678 bonds (distance) P-C4' energy: -116.496 flat angles C4'-P-C4' energy: -154.886 flat angles P-C4'-P energy: -83.647 tors. eta vs tors. theta energy: -42.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1048.901525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.901525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.901525 (E_RNA) where: Base-Base interactions energy: -556.908 where: short stacking energy: -279.550 Base-Backbone interact. energy: 3.923 local terms energy: -495.917188 where: bonds (distance) C4'-P energy: -135.234 bonds (distance) P-C4' energy: -144.079 flat angles C4'-P-C4' energy: -139.854 flat angles P-C4'-P energy: -50.331 tors. eta vs tors. theta energy: -26.420 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: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -748.611545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.611545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.611545 (E_RNA) where: Base-Base interactions energy: -337.280 where: short stacking energy: -205.226 Base-Backbone interact. energy: 4.374 local terms energy: -415.705532 where: bonds (distance) C4'-P energy: -110.323 bonds (distance) P-C4' energy: -132.891 flat angles C4'-P-C4' energy: -120.378 flat angles P-C4'-P energy: -73.538 tors. eta vs tors. theta energy: 21.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2740.094922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.094922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.094922 (E_RNA) where: Base-Base interactions energy: -1858.679 where: short stacking energy: -815.170 Base-Backbone interact. energy: -2.879 local terms energy: -878.537608 where: bonds (distance) C4'-P energy: -171.117 bonds (distance) P-C4' energy: -185.775 flat angles C4'-P-C4' energy: -187.618 flat angles P-C4'-P energy: -121.973 tors. eta vs tors. theta energy: -212.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2601.954886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.954886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.954886 (E_RNA) where: Base-Base interactions energy: -1760.175 where: short stacking energy: -739.513 Base-Backbone interact. energy: -2.023 local terms energy: -839.757606 where: bonds (distance) C4'-P energy: -175.688 bonds (distance) P-C4' energy: -174.220 flat angles C4'-P-C4' energy: -167.286 flat angles P-C4'-P energy: -101.938 tors. eta vs tors. theta energy: -220.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2511.064026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.064026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.064026 (E_RNA) where: Base-Base interactions energy: -1683.494 where: short stacking energy: -727.841 Base-Backbone interact. energy: -4.803 local terms energy: -822.767117 where: bonds (distance) C4'-P energy: -168.555 bonds (distance) P-C4' energy: -156.000 flat angles C4'-P-C4' energy: -185.337 flat angles P-C4'-P energy: -115.437 tors. eta vs tors. theta energy: -197.438 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: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2332.959429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.959429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.959429 (E_RNA) where: Base-Base interactions energy: -1612.563 where: short stacking energy: -678.793 Base-Backbone interact. energy: 1.723 local terms energy: -722.120049 where: bonds (distance) C4'-P energy: -129.104 bonds (distance) P-C4' energy: -153.904 flat angles C4'-P-C4' energy: -159.805 flat angles P-C4'-P energy: -94.619 tors. eta vs tors. theta energy: -184.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2134.623041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.623041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.623041 (E_RNA) where: Base-Base interactions energy: -1393.656 where: short stacking energy: -622.895 Base-Backbone interact. energy: 2.326 local terms energy: -743.293587 where: bonds (distance) C4'-P energy: -154.078 bonds (distance) P-C4' energy: -160.146 flat angles C4'-P-C4' energy: -148.610 flat angles P-C4'-P energy: -105.413 tors. eta vs tors. theta energy: -175.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2009.253252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.253252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.253252 (E_RNA) where: Base-Base interactions energy: -1317.830 where: short stacking energy: -585.833 Base-Backbone interact. energy: -1.401 local terms energy: -690.022915 where: bonds (distance) C4'-P energy: -141.938 bonds (distance) P-C4' energy: -127.038 flat angles C4'-P-C4' energy: -168.250 flat angles P-C4'-P energy: -110.745 tors. eta vs tors. theta energy: -142.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1569.581748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.581748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.581748 (E_RNA) where: Base-Base interactions energy: -1006.455 where: short stacking energy: -399.885 Base-Backbone interact. energy: -4.138 local terms energy: -558.987866 where: bonds (distance) C4'-P energy: -144.185 bonds (distance) P-C4' energy: -124.540 flat angles C4'-P-C4' energy: -138.709 flat angles P-C4'-P energy: -84.571 tors. eta vs tors. theta energy: -66.984 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: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1238.079090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.079090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.079090 (E_RNA) where: Base-Base interactions energy: -731.893 where: short stacking energy: -356.537 Base-Backbone interact. energy: 3.020 local terms energy: -509.206096 where: bonds (distance) C4'-P energy: -116.553 bonds (distance) P-C4' energy: -139.452 flat angles C4'-P-C4' energy: -128.683 flat angles P-C4'-P energy: -85.259 tors. eta vs tors. theta energy: -39.259 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: 9, replica: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -970.338952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.338952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.338952 (E_RNA) where: Base-Base interactions energy: -494.764 where: short stacking energy: -275.020 Base-Backbone interact. energy: -0.950 local terms energy: -474.624979 where: bonds (distance) C4'-P energy: -116.309 bonds (distance) P-C4' energy: -158.652 flat angles C4'-P-C4' energy: -130.826 flat angles P-C4'-P energy: -54.900 tors. eta vs tors. theta energy: -13.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -769.355413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.355413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.355413 (E_RNA) where: Base-Base interactions energy: -326.787 where: short stacking energy: -190.136 Base-Backbone interact. energy: 0.493 local terms energy: -443.061363 where: bonds (distance) C4'-P energy: -130.571 bonds (distance) P-C4' energy: -142.254 flat angles C4'-P-C4' energy: -135.668 flat angles P-C4'-P energy: -65.286 tors. eta vs tors. theta energy: 30.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2740.698032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.698032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.698032 (E_RNA) where: Base-Base interactions energy: -1854.218 where: short stacking energy: -793.374 Base-Backbone interact. energy: 2.074 local terms energy: -888.553925 where: bonds (distance) C4'-P energy: -160.508 bonds (distance) P-C4' energy: -169.360 flat angles C4'-P-C4' energy: -191.277 flat angles P-C4'-P energy: -132.195 tors. eta vs tors. theta energy: -235.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2603.056716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.056716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.056716 (E_RNA) where: Base-Base interactions energy: -1781.837 where: short stacking energy: -769.267 Base-Backbone interact. energy: -2.498 local terms energy: -818.722175 where: bonds (distance) C4'-P energy: -150.023 bonds (distance) P-C4' energy: -168.058 flat angles C4'-P-C4' energy: -183.589 flat angles P-C4'-P energy: -106.622 tors. eta vs tors. theta energy: -210.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2519.755101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.755101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.755101 (E_RNA) where: Base-Base interactions energy: -1710.799 where: short stacking energy: -745.634 Base-Backbone interact. energy: -0.374 local terms energy: -808.581411 where: bonds (distance) C4'-P energy: -163.159 bonds (distance) P-C4' energy: -168.004 flat angles C4'-P-C4' energy: -174.249 flat angles P-C4'-P energy: -98.587 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: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2340.679467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.679467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.679467 (E_RNA) where: Base-Base interactions energy: -1587.634 where: short stacking energy: -677.906 Base-Backbone interact. energy: -3.225 local terms energy: -749.820250 where: bonds (distance) C4'-P energy: -142.352 bonds (distance) P-C4' energy: -144.416 flat angles C4'-P-C4' energy: -171.676 flat angles P-C4'-P energy: -103.586 tors. eta vs tors. theta energy: -187.790 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: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2134.622705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.622705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.622705 (E_RNA) where: Base-Base interactions energy: -1421.850 where: short stacking energy: -613.645 Base-Backbone interact. energy: -0.675 local terms energy: -712.097725 where: bonds (distance) C4'-P energy: -146.370 bonds (distance) P-C4' energy: -139.226 flat angles C4'-P-C4' energy: -155.133 flat angles P-C4'-P energy: -97.916 tors. eta vs tors. theta energy: -173.453 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: 136 Temperature: 1.150000 Total energy: -2038.899300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.899300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.899300 (E_RNA) where: Base-Base interactions energy: -1333.957 where: short stacking energy: -602.588 Base-Backbone interact. energy: 5.358 local terms energy: -710.300325 where: bonds (distance) C4'-P energy: -134.524 bonds (distance) P-C4' energy: -146.965 flat angles C4'-P-C4' energy: -163.564 flat angles P-C4'-P energy: -97.082 tors. eta vs tors. theta energy: -168.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1485.828879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.828879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.828879 (E_RNA) where: Base-Base interactions energy: -934.548 where: short stacking energy: -422.242 Base-Backbone interact. energy: 5.023 local terms energy: -556.304054 where: bonds (distance) C4'-P energy: -146.797 bonds (distance) P-C4' energy: -132.575 flat angles C4'-P-C4' energy: -117.309 flat angles P-C4'-P energy: -95.780 tors. eta vs tors. theta energy: -63.842 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: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1274.095020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.095020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.095020 (E_RNA) where: Base-Base interactions energy: -742.606 where: short stacking energy: -366.751 Base-Backbone interact. energy: 6.249 local terms energy: -537.737232 where: bonds (distance) C4'-P energy: -130.442 bonds (distance) P-C4' energy: -143.060 flat angles C4'-P-C4' energy: -152.499 flat angles P-C4'-P energy: -73.390 tors. eta vs tors. theta energy: -38.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -921.962741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.962741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.962741 (E_RNA) where: Base-Base interactions energy: -462.990 where: short stacking energy: -275.709 Base-Backbone interact. energy: -4.474 local terms energy: -454.498042 where: bonds (distance) C4'-P energy: -116.978 bonds (distance) P-C4' energy: -140.116 flat angles C4'-P-C4' energy: -129.312 flat angles P-C4'-P energy: -64.711 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -795.339967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.339967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.339967 (E_RNA) where: Base-Base interactions energy: -353.097 where: short stacking energy: -210.443 Base-Backbone interact. energy: 5.044 local terms energy: -447.286391 where: bonds (distance) C4'-P energy: -131.622 bonds (distance) P-C4' energy: -149.415 flat angles C4'-P-C4' energy: -109.848 flat angles P-C4'-P energy: -70.857 tors. eta vs tors. theta energy: 14.456 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: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2765.460446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.460446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.460446 (E_RNA) where: Base-Base interactions energy: -1896.446 where: short stacking energy: -799.124 Base-Backbone interact. energy: -1.392 local terms energy: -867.622890 where: bonds (distance) C4'-P energy: -167.010 bonds (distance) P-C4' energy: -164.515 flat angles C4'-P-C4' energy: -190.322 flat angles P-C4'-P energy: -120.918 tors. eta vs tors. theta energy: -224.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2558.774419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.774419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.774419 (E_RNA) where: Base-Base interactions energy: -1701.177 where: short stacking energy: -732.306 Base-Backbone interact. energy: -2.800 local terms energy: -854.796985 where: bonds (distance) C4'-P energy: -159.234 bonds (distance) P-C4' energy: -172.283 flat angles C4'-P-C4' energy: -191.193 flat angles P-C4'-P energy: -104.749 tors. eta vs tors. theta energy: -227.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2485.063573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.063573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.063573 (E_RNA) where: Base-Base interactions energy: -1671.619 where: short stacking energy: -724.903 Base-Backbone interact. energy: -0.618 local terms energy: -812.827156 where: bonds (distance) C4'-P energy: -158.994 bonds (distance) P-C4' energy: -151.058 flat angles C4'-P-C4' energy: -181.753 flat angles P-C4'-P energy: -111.736 tors. eta vs tors. theta energy: -209.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2306.090824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.090824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.090824 (E_RNA) where: Base-Base interactions energy: -1543.776 where: short stacking energy: -648.985 Base-Backbone interact. energy: -5.663 local terms energy: -756.652156 where: bonds (distance) C4'-P energy: -153.285 bonds (distance) P-C4' energy: -163.054 flat angles C4'-P-C4' energy: -170.194 flat angles P-C4'-P energy: -95.975 tors. eta vs tors. theta energy: -174.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2147.788814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.788814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.788814 (E_RNA) where: Base-Base interactions energy: -1410.234 where: short stacking energy: -631.524 Base-Backbone interact. energy: -2.571 local terms energy: -734.983390 where: bonds (distance) C4'-P energy: -147.787 bonds (distance) P-C4' energy: -141.671 flat angles C4'-P-C4' energy: -154.911 flat angles P-C4'-P energy: -115.056 tors. eta vs tors. theta energy: -175.558 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: 137 Temperature: 1.150000 Total energy: -2058.317752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.317752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.317752 (E_RNA) where: Base-Base interactions energy: -1331.202 where: short stacking energy: -603.292 Base-Backbone interact. energy: 0.684 local terms energy: -727.800085 where: bonds (distance) C4'-P energy: -150.143 bonds (distance) P-C4' energy: -128.463 flat angles C4'-P-C4' energy: -152.168 flat angles P-C4'-P energy: -110.321 tors. eta vs tors. theta energy: -186.705 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: 3 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1414.810827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.810827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.810827 (E_RNA) where: Base-Base interactions energy: -835.594 where: short stacking energy: -434.561 Base-Backbone interact. energy: -0.819 local terms energy: -578.398392 where: bonds (distance) C4'-P energy: -137.330 bonds (distance) P-C4' energy: -140.051 flat angles C4'-P-C4' energy: -133.993 flat angles P-C4'-P energy: -92.140 tors. eta vs tors. theta energy: -74.884 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: 5 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1208.721226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.721226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.721226 (E_RNA) where: Base-Base interactions energy: -677.629 where: short stacking energy: -345.006 Base-Backbone interact. energy: -5.087 local terms energy: -526.005238 where: bonds (distance) C4'-P energy: -138.844 bonds (distance) P-C4' energy: -158.313 flat angles C4'-P-C4' energy: -129.334 flat angles P-C4'-P energy: -70.374 tors. eta vs tors. theta energy: -29.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -998.006507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.006507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.006507 (E_RNA) where: Base-Base interactions energy: -498.766 where: short stacking energy: -278.179 Base-Backbone interact. energy: 7.886 local terms energy: -507.125818 where: bonds (distance) C4'-P energy: -124.707 bonds (distance) P-C4' energy: -140.737 flat angles C4'-P-C4' energy: -131.186 flat angles P-C4'-P energy: -86.683 tors. eta vs tors. theta energy: -23.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -845.699229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.699229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.699229 (E_RNA) where: Base-Base interactions energy: -435.223 where: short stacking energy: -268.844 Base-Backbone interact. energy: 8.343 local terms energy: -418.818801 where: bonds (distance) C4'-P energy: -95.121 bonds (distance) P-C4' energy: -135.886 flat angles C4'-P-C4' energy: -110.992 flat angles P-C4'-P energy: -71.110 tors. eta vs tors. theta energy: -5.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2729.339482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.339482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.339482 (E_RNA) where: Base-Base interactions energy: -1866.103 where: short stacking energy: -794.834 Base-Backbone interact. energy: 0.753 local terms energy: -863.990402 where: bonds (distance) C4'-P energy: -173.022 bonds (distance) P-C4' energy: -163.817 flat angles C4'-P-C4' energy: -181.885 flat angles P-C4'-P energy: -114.519 tors. eta vs tors. theta energy: -230.747 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: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2571.982468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.982468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.982468 (E_RNA) where: Base-Base interactions energy: -1744.410 where: short stacking energy: -749.152 Base-Backbone interact. energy: 1.242 local terms energy: -828.814456 where: bonds (distance) C4'-P energy: -163.039 bonds (distance) P-C4' energy: -162.341 flat angles C4'-P-C4' energy: -174.398 flat angles P-C4'-P energy: -112.421 tors. eta vs tors. theta energy: -216.617 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: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2498.074975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.074975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.074975 (E_RNA) where: Base-Base interactions energy: -1689.702 where: short stacking energy: -719.434 Base-Backbone interact. energy: -1.650 local terms energy: -806.722979 where: bonds (distance) C4'-P energy: -139.430 bonds (distance) P-C4' energy: -166.143 flat angles C4'-P-C4' energy: -177.114 flat angles P-C4'-P energy: -121.647 tors. eta vs tors. theta energy: -202.388 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: 4, replica: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2361.108073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.108073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.108073 (E_RNA) where: Base-Base interactions energy: -1626.463 where: short stacking energy: -669.318 Base-Backbone interact. energy: -7.261 local terms energy: -727.383771 where: bonds (distance) C4'-P energy: -142.669 bonds (distance) P-C4' energy: -156.076 flat angles C4'-P-C4' energy: -159.441 flat angles P-C4'-P energy: -104.953 tors. eta vs tors. theta energy: -164.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2141.685543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.685543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.685543 (E_RNA) where: Base-Base interactions energy: -1432.245 where: short stacking energy: -616.462 Base-Backbone interact. energy: -2.794 local terms energy: -706.646379 where: bonds (distance) C4'-P energy: -134.686 bonds (distance) P-C4' energy: -137.615 flat angles C4'-P-C4' energy: -155.092 flat angles P-C4'-P energy: -106.004 tors. eta vs tors. theta energy: -173.249 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: 138 Temperature: 1.150000 Total energy: -2007.038924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.038924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.038924 (E_RNA) where: Base-Base interactions energy: -1295.801 where: short stacking energy: -590.262 Base-Backbone interact. energy: 2.101 local terms energy: -713.338555 where: bonds (distance) C4'-P energy: -153.302 bonds (distance) P-C4' energy: -147.316 flat angles C4'-P-C4' energy: -157.273 flat angles P-C4'-P energy: -98.674 tors. eta vs tors. theta energy: -156.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1528.590019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.590019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.590019 (E_RNA) where: Base-Base interactions energy: -939.874 where: short stacking energy: -437.438 Base-Backbone interact. energy: -0.984 local terms energy: -587.732743 where: bonds (distance) C4'-P energy: -139.862 bonds (distance) P-C4' energy: -141.930 flat angles C4'-P-C4' energy: -137.771 flat angles P-C4'-P energy: -92.031 tors. eta vs tors. theta energy: -76.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1336.457321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.457321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.457321 (E_RNA) where: Base-Base interactions energy: -796.087 where: short stacking energy: -381.588 Base-Backbone interact. energy: -3.048 local terms energy: -537.321606 where: bonds (distance) C4'-P energy: -118.943 bonds (distance) P-C4' energy: -148.632 flat angles C4'-P-C4' energy: -135.532 flat angles P-C4'-P energy: -91.048 tors. eta vs tors. theta energy: -43.167 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: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -900.938897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.938897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.938897 (E_RNA) where: Base-Base interactions energy: -452.917 where: short stacking energy: -232.306 Base-Backbone interact. energy: -0.181 local terms energy: -447.840900 where: bonds (distance) C4'-P energy: -153.134 bonds (distance) P-C4' energy: -126.445 flat angles C4'-P-C4' energy: -101.306 flat angles P-C4'-P energy: -73.890 tors. eta vs tors. theta energy: 6.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -797.119532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.119532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.119532 (E_RNA) where: Base-Base interactions energy: -380.833 where: short stacking energy: -230.527 Base-Backbone interact. energy: 3.709 local terms energy: -419.994840 where: bonds (distance) C4'-P energy: -149.967 bonds (distance) P-C4' energy: -131.178 flat angles C4'-P-C4' energy: -120.566 flat angles P-C4'-P energy: -52.137 tors. eta vs tors. theta energy: 33.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2722.939892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.939892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.939892 (E_RNA) where: Base-Base interactions energy: -1875.393 where: short stacking energy: -796.269 Base-Backbone interact. energy: 0.416 local terms energy: -847.963429 where: bonds (distance) C4'-P energy: -163.240 bonds (distance) P-C4' energy: -152.866 flat angles C4'-P-C4' energy: -181.810 flat angles P-C4'-P energy: -109.802 tors. eta vs tors. theta energy: -240.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2558.986620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.986620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.986620 (E_RNA) where: Base-Base interactions energy: -1715.808 where: short stacking energy: -721.387 Base-Backbone interact. energy: -2.109 local terms energy: -841.069786 where: bonds (distance) C4'-P energy: -146.701 bonds (distance) P-C4' energy: -171.587 flat angles C4'-P-C4' energy: -186.638 flat angles P-C4'-P energy: -115.952 tors. eta vs tors. theta energy: -220.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2500.689728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.689728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.689728 (E_RNA) where: Base-Base interactions energy: -1699.481 where: short stacking energy: -723.608 Base-Backbone interact. energy: -2.388 local terms energy: -798.821311 where: bonds (distance) C4'-P energy: -154.171 bonds (distance) P-C4' energy: -159.130 flat angles C4'-P-C4' energy: -163.204 flat angles P-C4'-P energy: -114.173 tors. eta vs tors. theta energy: -208.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2235.681490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.681490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.681490 (E_RNA) where: Base-Base interactions energy: -1528.294 where: short stacking energy: -645.115 Base-Backbone interact. energy: 4.900 local terms energy: -712.287830 where: bonds (distance) C4'-P energy: -127.555 bonds (distance) P-C4' energy: -160.546 flat angles C4'-P-C4' energy: -163.501 flat angles P-C4'-P energy: -105.148 tors. eta vs tors. theta energy: -155.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2176.189673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.189673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.189673 (E_RNA) where: Base-Base interactions energy: -1449.361 where: short stacking energy: -654.123 Base-Backbone interact. energy: 5.615 local terms energy: -732.443726 where: bonds (distance) C4'-P energy: -143.148 bonds (distance) P-C4' energy: -169.437 flat angles C4'-P-C4' energy: -131.777 flat angles P-C4'-P energy: -109.089 tors. eta vs tors. theta energy: -178.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2090.581341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.581341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.581341 (E_RNA) where: Base-Base interactions energy: -1396.923 where: short stacking energy: -615.132 Base-Backbone interact. energy: -4.490 local terms energy: -689.168108 where: bonds (distance) C4'-P energy: -134.717 bonds (distance) P-C4' energy: -138.873 flat angles C4'-P-C4' energy: -159.988 flat angles P-C4'-P energy: -94.114 tors. eta vs tors. theta energy: -161.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1537.839912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.839912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.839912 (E_RNA) where: Base-Base interactions energy: -954.532 where: short stacking energy: -415.844 Base-Backbone interact. energy: -3.269 local terms energy: -580.038263 where: bonds (distance) C4'-P energy: -130.461 bonds (distance) P-C4' energy: -146.298 flat angles C4'-P-C4' energy: -136.464 flat angles P-C4'-P energy: -91.729 tors. eta vs tors. theta energy: -75.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1291.238604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.238604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.238604 (E_RNA) where: Base-Base interactions energy: -768.415 where: short stacking energy: -380.214 Base-Backbone interact. energy: -1.760 local terms energy: -521.063971 where: bonds (distance) C4'-P energy: -138.370 bonds (distance) P-C4' energy: -129.915 flat angles C4'-P-C4' energy: -121.136 flat angles P-C4'-P energy: -68.848 tors. eta vs tors. theta energy: -62.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -864.248143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.248143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.248143 (E_RNA) where: Base-Base interactions energy: -429.065 where: short stacking energy: -253.002 Base-Backbone interact. energy: 7.640 local terms energy: -442.822410 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -145.465 flat angles C4'-P-C4' energy: -128.369 flat angles P-C4'-P energy: -60.761 tors. eta vs tors. theta energy: 15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -730.654747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.654747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.654747 (E_RNA) where: Base-Base interactions energy: -333.964 where: short stacking energy: -217.287 Base-Backbone interact. energy: -1.401 local terms energy: -395.289236 where: bonds (distance) C4'-P energy: -107.833 bonds (distance) P-C4' energy: -134.338 flat angles C4'-P-C4' energy: -119.235 flat angles P-C4'-P energy: -54.528 tors. eta vs tors. theta energy: 20.645 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: 9 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2748.832732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.832732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.832732 (E_RNA) where: Base-Base interactions energy: -1860.501 where: short stacking energy: -795.645 Base-Backbone interact. energy: -5.479 local terms energy: -882.852691 where: bonds (distance) C4'-P energy: -165.011 bonds (distance) P-C4' energy: -174.789 flat angles C4'-P-C4' energy: -199.096 flat angles P-C4'-P energy: -110.600 tors. eta vs tors. theta energy: -233.356 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: 7 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2582.673082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.673082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.673082 (E_RNA) where: Base-Base interactions energy: -1758.342 where: short stacking energy: -745.574 Base-Backbone interact. energy: -1.885 local terms energy: -822.445976 where: bonds (distance) C4'-P energy: -151.912 bonds (distance) P-C4' energy: -157.446 flat angles C4'-P-C4' energy: -184.015 flat angles P-C4'-P energy: -127.820 tors. eta vs tors. theta energy: -201.254 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: 140 Temperature: 1.000000 Total energy: -2487.844099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.844099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.844099 (E_RNA) where: Base-Base interactions energy: -1696.904 where: short stacking energy: -731.256 Base-Backbone interact. energy: -0.048 local terms energy: -790.892199 where: bonds (distance) C4'-P energy: -152.176 bonds (distance) P-C4' energy: -134.515 flat angles C4'-P-C4' energy: -195.951 flat angles P-C4'-P energy: -103.515 tors. eta vs tors. theta energy: -204.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2231.235686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.235686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.235686 (E_RNA) where: Base-Base interactions energy: -1526.588 where: short stacking energy: -615.109 Base-Backbone interact. energy: -3.089 local terms energy: -701.558642 where: bonds (distance) C4'-P energy: -132.024 bonds (distance) P-C4' energy: -159.756 flat angles C4'-P-C4' energy: -160.581 flat angles P-C4'-P energy: -96.133 tors. eta vs tors. theta energy: -153.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2184.211800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.211800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.211800 (E_RNA) where: Base-Base interactions energy: -1416.970 where: short stacking energy: -629.935 Base-Backbone interact. energy: -3.364 local terms energy: -763.877974 where: bonds (distance) C4'-P energy: -157.060 bonds (distance) P-C4' energy: -159.440 flat angles C4'-P-C4' energy: -154.839 flat angles P-C4'-P energy: -105.187 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: 140 Temperature: 1.150000 Total energy: -2105.443966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.443966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.443966 (E_RNA) where: Base-Base interactions energy: -1349.409 where: short stacking energy: -604.362 Base-Backbone interact. energy: -4.049 local terms energy: -751.985618 where: bonds (distance) C4'-P energy: -158.406 bonds (distance) P-C4' energy: -156.550 flat angles C4'-P-C4' energy: -177.774 flat angles P-C4'-P energy: -100.015 tors. eta vs tors. theta energy: -159.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1490.640945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.640945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.640945 (E_RNA) where: Base-Base interactions energy: -904.935 where: short stacking energy: -429.401 Base-Backbone interact. energy: -5.208 local terms energy: -580.497853 where: bonds (distance) C4'-P energy: -149.782 bonds (distance) P-C4' energy: -141.953 flat angles C4'-P-C4' energy: -137.406 flat angles P-C4'-P energy: -81.248 tors. eta vs tors. theta energy: -70.109 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: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1332.967964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.967964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.967964 (E_RNA) where: Base-Base interactions energy: -773.034 where: short stacking energy: -369.643 Base-Backbone interact. energy: 3.782 local terms energy: -563.715934 where: bonds (distance) C4'-P energy: -130.069 bonds (distance) P-C4' energy: -156.069 flat angles C4'-P-C4' energy: -141.557 flat angles P-C4'-P energy: -70.750 tors. eta vs tors. theta energy: -65.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -873.910389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.910389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.910389 (E_RNA) where: Base-Base interactions energy: -444.060 where: short stacking energy: -292.448 Base-Backbone interact. energy: -2.327 local terms energy: -427.523462 where: bonds (distance) C4'-P energy: -128.797 bonds (distance) P-C4' energy: -122.921 flat angles C4'-P-C4' energy: -116.506 flat angles P-C4'-P energy: -55.468 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -721.332939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.332939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.332939 (E_RNA) where: Base-Base interactions energy: -315.539 where: short stacking energy: -190.276 Base-Backbone interact. energy: 6.021 local terms energy: -411.814904 where: bonds (distance) C4'-P energy: -111.789 bonds (distance) P-C4' energy: -130.058 flat angles C4'-P-C4' energy: -119.714 flat angles P-C4'-P energy: -76.682 tors. eta vs tors. theta energy: 26.427 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: 9 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2731.735633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.735633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.735633 (E_RNA) where: Base-Base interactions energy: -1864.027 where: short stacking energy: -811.485 Base-Backbone interact. energy: -1.731 local terms energy: -865.977486 where: bonds (distance) C4'-P energy: -152.564 bonds (distance) P-C4' energy: -163.945 flat angles C4'-P-C4' energy: -180.537 flat angles P-C4'-P energy: -126.400 tors. eta vs tors. theta energy: -242.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2592.280647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.280647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.280647 (E_RNA) where: Base-Base interactions energy: -1766.034 where: short stacking energy: -727.461 Base-Backbone interact. energy: -3.774 local terms energy: -822.472470 where: bonds (distance) C4'-P energy: -154.327 bonds (distance) P-C4' energy: -169.232 flat angles C4'-P-C4' energy: -183.039 flat angles P-C4'-P energy: -109.605 tors. eta vs tors. theta energy: -206.269 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: 3, replica: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2507.233258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.233258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.233258 (E_RNA) where: Base-Base interactions energy: -1736.273 where: short stacking energy: -729.128 Base-Backbone interact. energy: -2.373 local terms energy: -768.587065 where: bonds (distance) C4'-P energy: -137.691 bonds (distance) P-C4' energy: -138.769 flat angles C4'-P-C4' energy: -174.259 flat angles P-C4'-P energy: -122.646 tors. eta vs tors. theta energy: -195.223 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: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2243.301198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.301198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.301198 (E_RNA) where: Base-Base interactions energy: -1532.362 where: short stacking energy: -620.155 Base-Backbone interact. energy: -2.706 local terms energy: -708.233569 where: bonds (distance) C4'-P energy: -143.200 bonds (distance) P-C4' energy: -140.056 flat angles C4'-P-C4' energy: -170.512 flat angles P-C4'-P energy: -104.628 tors. eta vs tors. theta energy: -149.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2209.363456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.363456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.363456 (E_RNA) where: Base-Base interactions energy: -1441.705 where: short stacking energy: -633.748 Base-Backbone interact. energy: -2.010 local terms energy: -765.648785 where: bonds (distance) C4'-P energy: -143.002 bonds (distance) P-C4' energy: -156.392 flat angles C4'-P-C4' energy: -166.041 flat angles P-C4'-P energy: -122.167 tors. eta vs tors. theta energy: -178.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2042.243484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.243484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.243484 (E_RNA) where: Base-Base interactions energy: -1372.576 where: short stacking energy: -616.887 Base-Backbone interact. energy: -5.391 local terms energy: -664.276675 where: bonds (distance) C4'-P energy: -142.650 bonds (distance) P-C4' energy: -148.218 flat angles C4'-P-C4' energy: -147.204 flat angles P-C4'-P energy: -78.380 tors. eta vs tors. theta energy: -147.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1520.232752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.232752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.232752 (E_RNA) where: Base-Base interactions energy: -923.727 where: short stacking energy: -442.506 Base-Backbone interact. energy: -5.438 local terms energy: -591.067968 where: bonds (distance) C4'-P energy: -151.395 bonds (distance) P-C4' energy: -133.210 flat angles C4'-P-C4' energy: -138.702 flat angles P-C4'-P energy: -79.071 tors. eta vs tors. theta energy: -88.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1326.687193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.687193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.687193 (E_RNA) where: Base-Base interactions energy: -804.094 where: short stacking energy: -366.120 Base-Backbone interact. energy: -2.874 local terms energy: -519.719225 where: bonds (distance) C4'-P energy: -94.714 bonds (distance) P-C4' energy: -149.227 flat angles C4'-P-C4' energy: -145.575 flat angles P-C4'-P energy: -83.540 tors. eta vs tors. theta energy: -46.662 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: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -896.837918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.837918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.837918 (E_RNA) where: Base-Base interactions energy: -421.183 where: short stacking energy: -238.535 Base-Backbone interact. energy: 0.829 local terms energy: -476.483449 where: bonds (distance) C4'-P energy: -140.488 bonds (distance) P-C4' energy: -121.241 flat angles C4'-P-C4' energy: -134.521 flat angles P-C4'-P energy: -75.512 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -755.613624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.613624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.613624 (E_RNA) where: Base-Base interactions energy: -357.847 where: short stacking energy: -202.824 Base-Backbone interact. energy: 1.172 local terms energy: -398.939341 where: bonds (distance) C4'-P energy: -127.061 bonds (distance) P-C4' energy: -129.383 flat angles C4'-P-C4' energy: -108.451 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: 12.380 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: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2730.268890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.268890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.268890 (E_RNA) where: Base-Base interactions energy: -1862.773 where: short stacking energy: -791.999 Base-Backbone interact. energy: -3.911 local terms energy: -863.584332 where: bonds (distance) C4'-P energy: -165.258 bonds (distance) P-C4' energy: -165.757 flat angles C4'-P-C4' energy: -188.884 flat angles P-C4'-P energy: -114.671 tors. eta vs tors. theta energy: -229.014 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: 7 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2622.473402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.473402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.473402 (E_RNA) where: Base-Base interactions energy: -1800.603 where: short stacking energy: -729.626 Base-Backbone interact. energy: -0.994 local terms energy: -820.876775 where: bonds (distance) C4'-P energy: -158.568 bonds (distance) P-C4' energy: -171.326 flat angles C4'-P-C4' energy: -179.988 flat angles P-C4'-P energy: -111.109 tors. eta vs tors. theta energy: -199.886 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: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2481.367732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.367732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.367732 (E_RNA) where: Base-Base interactions energy: -1671.550 where: short stacking energy: -693.367 Base-Backbone interact. energy: 0.718 local terms energy: -810.535791 where: bonds (distance) C4'-P energy: -153.940 bonds (distance) P-C4' energy: -166.109 flat angles C4'-P-C4' energy: -183.604 flat angles P-C4'-P energy: -109.006 tors. eta vs tors. theta energy: -197.877 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: 142 Temperature: 1.050000 Total energy: -2230.468997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.468997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.468997 (E_RNA) where: Base-Base interactions energy: -1493.509 where: short stacking energy: -636.169 Base-Backbone interact. energy: 1.787 local terms energy: -738.747195 where: bonds (distance) C4'-P energy: -154.163 bonds (distance) P-C4' energy: -157.110 flat angles C4'-P-C4' energy: -159.718 flat angles P-C4'-P energy: -102.142 tors. eta vs tors. theta energy: -165.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2175.611630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.611630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.611630 (E_RNA) where: Base-Base interactions energy: -1449.089 where: short stacking energy: -649.144 Base-Backbone interact. energy: -2.725 local terms energy: -723.797331 where: bonds (distance) C4'-P energy: -141.586 bonds (distance) P-C4' energy: -155.096 flat angles C4'-P-C4' energy: -159.587 flat angles P-C4'-P energy: -104.715 tors. eta vs tors. theta energy: -162.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2061.366988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.366988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.366988 (E_RNA) where: Base-Base interactions energy: -1371.073 where: short stacking energy: -633.327 Base-Backbone interact. energy: -3.671 local terms energy: -686.623134 where: bonds (distance) C4'-P energy: -137.231 bonds (distance) P-C4' energy: -143.881 flat angles C4'-P-C4' energy: -154.914 flat angles P-C4'-P energy: -90.404 tors. eta vs tors. theta energy: -160.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1506.381390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.381390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.381390 (E_RNA) where: Base-Base interactions energy: -908.323 where: short stacking energy: -434.715 Base-Backbone interact. energy: -2.470 local terms energy: -595.587773 where: bonds (distance) C4'-P energy: -133.816 bonds (distance) P-C4' energy: -144.684 flat angles C4'-P-C4' energy: -147.862 flat angles P-C4'-P energy: -81.861 tors. eta vs tors. theta energy: -87.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1310.039272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.039272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.039272 (E_RNA) where: Base-Base interactions energy: -757.244 where: short stacking energy: -395.240 Base-Backbone interact. energy: 2.588 local terms energy: -555.383386 where: bonds (distance) C4'-P energy: -142.936 bonds (distance) P-C4' energy: -133.931 flat angles C4'-P-C4' energy: -146.136 flat angles P-C4'-P energy: -68.101 tors. eta vs tors. theta energy: -64.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -905.021319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.021319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.021319 (E_RNA) where: Base-Base interactions energy: -441.073 where: short stacking energy: -238.539 Base-Backbone interact. energy: 3.452 local terms energy: -467.400284 where: bonds (distance) C4'-P energy: -138.563 bonds (distance) P-C4' energy: -130.773 flat angles C4'-P-C4' energy: -109.506 flat angles P-C4'-P energy: -66.078 tors. eta vs tors. theta energy: -22.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -719.942661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.942661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.942661 (E_RNA) where: Base-Base interactions energy: -327.006 where: short stacking energy: -186.210 Base-Backbone interact. energy: 6.058 local terms energy: -398.994485 where: bonds (distance) C4'-P energy: -150.090 bonds (distance) P-C4' energy: -139.660 flat angles C4'-P-C4' energy: -98.527 flat angles P-C4'-P energy: -30.813 tors. eta vs tors. theta energy: 20.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2772.292917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.292917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.292917 (E_RNA) where: Base-Base interactions energy: -1875.603 where: short stacking energy: -782.920 Base-Backbone interact. energy: -0.260 local terms energy: -896.429488 where: bonds (distance) C4'-P energy: -180.441 bonds (distance) P-C4' energy: -172.336 flat angles C4'-P-C4' energy: -185.667 flat angles P-C4'-P energy: -125.369 tors. eta vs tors. theta energy: -232.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2591.155108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.155108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.155108 (E_RNA) where: Base-Base interactions energy: -1777.928 where: short stacking energy: -752.400 Base-Backbone interact. energy: -0.439 local terms energy: -812.788018 where: bonds (distance) C4'-P energy: -153.913 bonds (distance) P-C4' energy: -165.207 flat angles C4'-P-C4' energy: -178.284 flat angles P-C4'-P energy: -115.091 tors. eta vs tors. theta energy: -200.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2468.456338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.456338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.456338 (E_RNA) where: Base-Base interactions energy: -1702.995 where: short stacking energy: -684.709 Base-Backbone interact. energy: -2.346 local terms energy: -763.115899 where: bonds (distance) C4'-P energy: -139.114 bonds (distance) P-C4' energy: -158.603 flat angles C4'-P-C4' energy: -173.288 flat angles P-C4'-P energy: -107.706 tors. eta vs tors. theta energy: -184.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2310.055265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.055265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.055265 (E_RNA) where: Base-Base interactions energy: -1571.143 where: short stacking energy: -666.045 Base-Backbone interact. energy: -1.012 local terms energy: -737.901025 where: bonds (distance) C4'-P energy: -157.054 bonds (distance) P-C4' energy: -164.327 flat angles C4'-P-C4' energy: -166.668 flat angles P-C4'-P energy: -79.302 tors. eta vs tors. theta energy: -170.550 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: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2186.350337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.350337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.350337 (E_RNA) where: Base-Base interactions energy: -1443.461 where: short stacking energy: -633.440 Base-Backbone interact. energy: -3.679 local terms energy: -739.209593 where: bonds (distance) C4'-P energy: -161.145 bonds (distance) P-C4' energy: -134.832 flat angles C4'-P-C4' energy: -167.459 flat angles P-C4'-P energy: -100.215 tors. eta vs tors. theta energy: -175.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2019.637026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.637026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.637026 (E_RNA) where: Base-Base interactions energy: -1320.942 where: short stacking energy: -573.133 Base-Backbone interact. energy: -2.976 local terms energy: -695.718535 where: bonds (distance) C4'-P energy: -145.027 bonds (distance) P-C4' energy: -144.768 flat angles C4'-P-C4' energy: -141.534 flat angles P-C4'-P energy: -105.696 tors. eta vs tors. theta energy: -158.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1486.429581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.429581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.429581 (E_RNA) where: Base-Base interactions energy: -914.704 where: short stacking energy: -444.919 Base-Backbone interact. energy: -1.920 local terms energy: -569.804930 where: bonds (distance) C4'-P energy: -148.360 bonds (distance) P-C4' energy: -138.134 flat angles C4'-P-C4' energy: -134.895 flat angles P-C4'-P energy: -58.768 tors. eta vs tors. theta energy: -89.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1347.077656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.077656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.077656 (E_RNA) where: Base-Base interactions energy: -777.061 where: short stacking energy: -404.953 Base-Backbone interact. energy: -0.390 local terms energy: -569.627078 where: bonds (distance) C4'-P energy: -135.267 bonds (distance) P-C4' energy: -146.368 flat angles C4'-P-C4' energy: -135.992 flat angles P-C4'-P energy: -80.742 tors. eta vs tors. theta energy: -71.258 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: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -872.851809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.851809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.851809 (E_RNA) where: Base-Base interactions energy: -423.745 where: short stacking energy: -243.497 Base-Backbone interact. energy: 3.367 local terms energy: -452.473809 where: bonds (distance) C4'-P energy: -130.129 bonds (distance) P-C4' energy: -138.859 flat angles C4'-P-C4' energy: -117.508 flat angles P-C4'-P energy: -72.253 tors. eta vs tors. theta energy: 6.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -732.405354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.405354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.405354 (E_RNA) where: Base-Base interactions energy: -337.999 where: short stacking energy: -211.057 Base-Backbone interact. energy: 7.449 local terms energy: -401.855220 where: bonds (distance) C4'-P energy: -116.502 bonds (distance) P-C4' energy: -134.216 flat angles C4'-P-C4' energy: -108.943 flat angles P-C4'-P energy: -49.149 tors. eta vs tors. theta energy: 6.955 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: 9 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2761.223139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.223139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.223139 (E_RNA) where: Base-Base interactions energy: -1901.311 where: short stacking energy: -808.592 Base-Backbone interact. energy: -4.588 local terms energy: -855.323480 where: bonds (distance) C4'-P energy: -152.848 bonds (distance) P-C4' energy: -181.390 flat angles C4'-P-C4' energy: -188.964 flat angles P-C4'-P energy: -112.286 tors. eta vs tors. theta energy: -219.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2610.018500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.018500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.018500 (E_RNA) where: Base-Base interactions energy: -1763.978 where: short stacking energy: -769.092 Base-Backbone interact. energy: -1.157 local terms energy: -844.883275 where: bonds (distance) C4'-P energy: -170.980 bonds (distance) P-C4' energy: -168.654 flat angles C4'-P-C4' energy: -192.440 flat angles P-C4'-P energy: -103.041 tors. eta vs tors. theta energy: -209.769 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: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2506.561209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.561209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.561209 (E_RNA) where: Base-Base interactions energy: -1715.565 where: short stacking energy: -739.612 Base-Backbone interact. energy: -2.986 local terms energy: -788.010145 where: bonds (distance) C4'-P energy: -130.123 bonds (distance) P-C4' energy: -160.130 flat angles C4'-P-C4' energy: -169.792 flat angles P-C4'-P energy: -121.392 tors. eta vs tors. theta energy: -206.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2322.817423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.817423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.817423 (E_RNA) where: Base-Base interactions energy: -1558.128 where: short stacking energy: -664.091 Base-Backbone interact. energy: -4.325 local terms energy: -760.363436 where: bonds (distance) C4'-P energy: -136.718 bonds (distance) P-C4' energy: -173.869 flat angles C4'-P-C4' energy: -181.466 flat angles P-C4'-P energy: -100.982 tors. eta vs tors. theta energy: -167.329 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: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2198.748021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.748021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.748021 (E_RNA) where: Base-Base interactions energy: -1474.958 where: short stacking energy: -640.959 Base-Backbone interact. energy: -0.738 local terms energy: -723.051455 where: bonds (distance) C4'-P energy: -141.699 bonds (distance) P-C4' energy: -143.500 flat angles C4'-P-C4' energy: -164.886 flat angles P-C4'-P energy: -108.842 tors. eta vs tors. theta energy: -164.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1997.008093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.008093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.008093 (E_RNA) where: Base-Base interactions energy: -1279.597 where: short stacking energy: -602.990 Base-Backbone interact. energy: 3.965 local terms energy: -721.376140 where: bonds (distance) C4'-P energy: -151.635 bonds (distance) P-C4' energy: -162.122 flat angles C4'-P-C4' energy: -146.768 flat angles P-C4'-P energy: -107.053 tors. eta vs tors. theta energy: -153.799 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: 7, replica: 3 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1452.831112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.831112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.831112 (E_RNA) where: Base-Base interactions energy: -854.757 where: short stacking energy: -404.174 Base-Backbone interact. energy: 3.935 local terms energy: -602.009420 where: bonds (distance) C4'-P energy: -148.096 bonds (distance) P-C4' energy: -147.914 flat angles C4'-P-C4' energy: -140.996 flat angles P-C4'-P energy: -85.690 tors. eta vs tors. theta energy: -79.314 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: 8, replica: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1269.863238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.863238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.863238 (E_RNA) where: Base-Base interactions energy: -717.738 where: short stacking energy: -374.864 Base-Backbone interact. energy: -4.010 local terms energy: -548.115219 where: bonds (distance) C4'-P energy: -126.599 bonds (distance) P-C4' energy: -140.258 flat angles C4'-P-C4' energy: -129.902 flat angles P-C4'-P energy: -91.022 tors. eta vs tors. theta energy: -60.334 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: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -907.333558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.333558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.333558 (E_RNA) where: Base-Base interactions energy: -445.253 where: short stacking energy: -265.327 Base-Backbone interact. energy: -1.863 local terms energy: -460.217506 where: bonds (distance) C4'-P energy: -119.228 bonds (distance) P-C4' energy: -151.035 flat angles C4'-P-C4' energy: -100.290 flat angles P-C4'-P energy: -83.154 tors. eta vs tors. theta energy: -6.511 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: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -713.169263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.169263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.169263 (E_RNA) where: Base-Base interactions energy: -293.964 where: short stacking energy: -214.597 Base-Backbone interact. energy: 2.889 local terms energy: -422.094490 where: bonds (distance) C4'-P energy: -127.033 bonds (distance) P-C4' energy: -129.461 flat angles C4'-P-C4' energy: -112.163 flat angles P-C4'-P energy: -70.151 tors. eta vs tors. theta energy: 16.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2768.425072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.425072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.425072 (E_RNA) where: Base-Base interactions energy: -1883.903 where: short stacking energy: -827.167 Base-Backbone interact. energy: -1.886 local terms energy: -882.635986 where: bonds (distance) C4'-P energy: -171.299 bonds (distance) P-C4' energy: -165.098 flat angles C4'-P-C4' energy: -191.295 flat angles P-C4'-P energy: -121.328 tors. eta vs tors. theta energy: -233.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2586.986802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.986802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.986802 (E_RNA) where: Base-Base interactions energy: -1773.924 where: short stacking energy: -739.631 Base-Backbone interact. energy: 0.645 local terms energy: -813.707929 where: bonds (distance) C4'-P energy: -164.424 bonds (distance) P-C4' energy: -167.498 flat angles C4'-P-C4' energy: -176.464 flat angles P-C4'-P energy: -100.769 tors. eta vs tors. theta energy: -204.553 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: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2533.005485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.005485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.005485 (E_RNA) where: Base-Base interactions energy: -1718.708 where: short stacking energy: -728.078 Base-Backbone interact. energy: -2.817 local terms energy: -811.480351 where: bonds (distance) C4'-P energy: -158.289 bonds (distance) P-C4' energy: -165.793 flat angles C4'-P-C4' energy: -184.089 flat angles P-C4'-P energy: -108.607 tors. eta vs tors. theta energy: -194.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2349.701733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.701733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.701733 (E_RNA) where: Base-Base interactions energy: -1616.103 where: short stacking energy: -665.321 Base-Backbone interact. energy: -1.676 local terms energy: -731.922585 where: bonds (distance) C4'-P energy: -133.893 bonds (distance) P-C4' energy: -166.394 flat angles C4'-P-C4' energy: -145.568 flat angles P-C4'-P energy: -119.666 tors. eta vs tors. theta energy: -166.402 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: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2187.837884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.837884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.837884 (E_RNA) where: Base-Base interactions energy: -1453.818 where: short stacking energy: -616.687 Base-Backbone interact. energy: -3.423 local terms energy: -730.597358 where: bonds (distance) C4'-P energy: -154.182 bonds (distance) P-C4' energy: -140.706 flat angles C4'-P-C4' energy: -164.089 flat angles P-C4'-P energy: -106.647 tors. eta vs tors. theta energy: -164.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2008.994433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.994433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.994433 (E_RNA) where: Base-Base interactions energy: -1334.033 where: short stacking energy: -596.455 Base-Backbone interact. energy: -0.667 local terms energy: -674.293708 where: bonds (distance) C4'-P energy: -145.861 bonds (distance) P-C4' energy: -139.776 flat angles C4'-P-C4' energy: -162.833 flat angles P-C4'-P energy: -82.647 tors. eta vs tors. theta energy: -143.177 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: 3 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1557.531104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.531104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.531104 (E_RNA) where: Base-Base interactions energy: -920.274 where: short stacking energy: -439.682 Base-Backbone interact. energy: 5.435 local terms energy: -642.691854 where: bonds (distance) C4'-P energy: -148.544 bonds (distance) P-C4' energy: -137.947 flat angles C4'-P-C4' energy: -153.257 flat angles P-C4'-P energy: -104.572 tors. eta vs tors. theta energy: -98.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1255.314719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.314719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.314719 (E_RNA) where: Base-Base interactions energy: -709.834 where: short stacking energy: -328.306 Base-Backbone interact. energy: -2.021 local terms energy: -543.459769 where: bonds (distance) C4'-P energy: -145.489 bonds (distance) P-C4' energy: -138.395 flat angles C4'-P-C4' energy: -138.551 flat angles P-C4'-P energy: -95.099 tors. eta vs tors. theta energy: -25.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -872.490514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.490514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.490514 (E_RNA) where: Base-Base interactions energy: -412.693 where: short stacking energy: -247.330 Base-Backbone interact. energy: -3.995 local terms energy: -455.801710 where: bonds (distance) C4'-P energy: -119.772 bonds (distance) P-C4' energy: -149.932 flat angles C4'-P-C4' energy: -109.288 flat angles P-C4'-P energy: -66.471 tors. eta vs tors. theta energy: -10.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -703.576104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.576104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.576104 (E_RNA) where: Base-Base interactions energy: -313.943 where: short stacking energy: -181.653 Base-Backbone interact. energy: 11.947 local terms energy: -401.580045 where: bonds (distance) C4'-P energy: -111.890 bonds (distance) P-C4' energy: -127.456 flat angles C4'-P-C4' energy: -118.038 flat angles P-C4'-P energy: -81.892 tors. eta vs tors. theta energy: 37.696 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: 9 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2754.900082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.900082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.900082 (E_RNA) where: Base-Base interactions energy: -1879.003 where: short stacking energy: -816.857 Base-Backbone interact. energy: -3.801 local terms energy: -872.096666 where: bonds (distance) C4'-P energy: -157.221 bonds (distance) P-C4' energy: -157.628 flat angles C4'-P-C4' energy: -195.898 flat angles P-C4'-P energy: -129.452 tors. eta vs tors. theta energy: -231.899 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: 7 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2580.778844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.778844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.778844 (E_RNA) where: Base-Base interactions energy: -1757.253 where: short stacking energy: -774.615 Base-Backbone interact. energy: -2.080 local terms energy: -821.446215 where: bonds (distance) C4'-P energy: -144.232 bonds (distance) P-C4' energy: -164.185 flat angles C4'-P-C4' energy: -181.958 flat angles P-C4'-P energy: -114.804 tors. eta vs tors. theta energy: -216.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2573.443109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.443109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.443109 (E_RNA) where: Base-Base interactions energy: -1754.724 where: short stacking energy: -736.310 Base-Backbone interact. energy: 0.324 local terms energy: -819.042662 where: bonds (distance) C4'-P energy: -144.392 bonds (distance) P-C4' energy: -162.884 flat angles C4'-P-C4' energy: -167.845 flat angles P-C4'-P energy: -126.596 tors. eta vs tors. theta energy: -217.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2318.900816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.900816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.900816 (E_RNA) where: Base-Base interactions energy: -1573.700 where: short stacking energy: -646.313 Base-Backbone interact. energy: 1.545 local terms energy: -746.745900 where: bonds (distance) C4'-P energy: -143.229 bonds (distance) P-C4' energy: -159.901 flat angles C4'-P-C4' energy: -164.045 flat angles P-C4'-P energy: -104.784 tors. eta vs tors. theta energy: -174.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2105.133327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.133327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.133327 (E_RNA) where: Base-Base interactions energy: -1395.072 where: short stacking energy: -626.755 Base-Backbone interact. energy: -1.598 local terms energy: -708.463921 where: bonds (distance) C4'-P energy: -142.050 bonds (distance) P-C4' energy: -149.110 flat angles C4'-P-C4' energy: -172.944 flat angles P-C4'-P energy: -81.075 tors. eta vs tors. theta energy: -163.284 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: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1990.327882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.327882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.327882 (E_RNA) where: Base-Base interactions energy: -1314.324 where: short stacking energy: -603.288 Base-Backbone interact. energy: -3.436 local terms energy: -672.568083 where: bonds (distance) C4'-P energy: -122.510 bonds (distance) P-C4' energy: -124.997 flat angles C4'-P-C4' energy: -152.887 flat angles P-C4'-P energy: -120.443 tors. eta vs tors. theta energy: -151.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1594.241075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.241075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.241075 (E_RNA) where: Base-Base interactions energy: -973.007 where: short stacking energy: -464.877 Base-Backbone interact. energy: -2.181 local terms energy: -619.052976 where: bonds (distance) C4'-P energy: -131.743 bonds (distance) P-C4' energy: -152.256 flat angles C4'-P-C4' energy: -127.326 flat angles P-C4'-P energy: -108.891 tors. eta vs tors. theta energy: -98.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1292.305385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.305385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.305385 (E_RNA) where: Base-Base interactions energy: -752.916 where: short stacking energy: -357.954 Base-Backbone interact. energy: -2.098 local terms energy: -537.291718 where: bonds (distance) C4'-P energy: -134.068 bonds (distance) P-C4' energy: -129.352 flat angles C4'-P-C4' energy: -142.967 flat angles P-C4'-P energy: -80.467 tors. eta vs tors. theta energy: -50.438 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: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -838.899252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.899252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.899252 (E_RNA) where: Base-Base interactions energy: -391.156 where: short stacking energy: -245.139 Base-Backbone interact. energy: -1.145 local terms energy: -446.598055 where: bonds (distance) C4'-P energy: -135.547 bonds (distance) P-C4' energy: -144.578 flat angles C4'-P-C4' energy: -110.769 flat angles P-C4'-P energy: -69.986 tors. eta vs tors. theta energy: 14.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -785.498641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.498641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.498641 (E_RNA) where: Base-Base interactions energy: -362.418 where: short stacking energy: -212.311 Base-Backbone interact. energy: 0.752 local terms energy: -423.833281 where: bonds (distance) C4'-P energy: -116.444 bonds (distance) P-C4' energy: -138.161 flat angles C4'-P-C4' energy: -114.066 flat angles P-C4'-P energy: -82.488 tors. eta vs tors. theta energy: 27.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2761.696863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.696863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.696863 (E_RNA) where: Base-Base interactions energy: -1881.816 where: short stacking energy: -800.849 Base-Backbone interact. energy: 0.408 local terms energy: -880.288022 where: bonds (distance) C4'-P energy: -161.030 bonds (distance) P-C4' energy: -175.539 flat angles C4'-P-C4' energy: -191.517 flat angles P-C4'-P energy: -122.695 tors. eta vs tors. theta energy: -229.507 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: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2622.306649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.306649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.306649 (E_RNA) where: Base-Base interactions energy: -1767.399 where: short stacking energy: -750.491 Base-Backbone interact. energy: 0.589 local terms energy: -855.497123 where: bonds (distance) C4'-P energy: -168.794 bonds (distance) P-C4' energy: -159.306 flat angles C4'-P-C4' energy: -188.590 flat angles P-C4'-P energy: -119.863 tors. eta vs tors. theta energy: -218.945 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: 3, replica: 6 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2574.151324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.151324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.151324 (E_RNA) where: Base-Base interactions energy: -1761.276 where: short stacking energy: -744.325 Base-Backbone interact. energy: 0.100 local terms energy: -812.975406 where: bonds (distance) C4'-P energy: -155.235 bonds (distance) P-C4' energy: -157.012 flat angles C4'-P-C4' energy: -175.359 flat angles P-C4'-P energy: -113.492 tors. eta vs tors. theta energy: -211.877 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: 147 Temperature: 1.050000 Total energy: -2330.959552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.959552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.959552 (E_RNA) where: Base-Base interactions energy: -1570.070 where: short stacking energy: -651.944 Base-Backbone interact. energy: -6.388 local terms energy: -754.501348 where: bonds (distance) C4'-P energy: -138.846 bonds (distance) P-C4' energy: -159.700 flat angles C4'-P-C4' energy: -182.589 flat angles P-C4'-P energy: -103.009 tors. eta vs tors. theta energy: -170.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2127.102583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.102583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.102583 (E_RNA) where: Base-Base interactions energy: -1400.975 where: short stacking energy: -621.723 Base-Backbone interact. energy: 1.946 local terms energy: -728.074219 where: bonds (distance) C4'-P energy: -153.796 bonds (distance) P-C4' energy: -146.756 flat angles C4'-P-C4' energy: -161.524 flat angles P-C4'-P energy: -106.092 tors. eta vs tors. theta energy: -159.907 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: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2007.743057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.743057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.743057 (E_RNA) where: Base-Base interactions energy: -1318.774 where: short stacking energy: -600.744 Base-Backbone interact. energy: -0.960 local terms energy: -688.009352 where: bonds (distance) C4'-P energy: -144.701 bonds (distance) P-C4' energy: -143.702 flat angles C4'-P-C4' energy: -146.130 flat angles P-C4'-P energy: -109.847 tors. eta vs tors. theta energy: -143.630 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: 147 Temperature: 1.200000 Total energy: -1570.529597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.529597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.529597 (E_RNA) where: Base-Base interactions energy: -942.785 where: short stacking energy: -437.227 Base-Backbone interact. energy: 2.110 local terms energy: -629.854826 where: bonds (distance) C4'-P energy: -134.380 bonds (distance) P-C4' energy: -159.253 flat angles C4'-P-C4' energy: -146.721 flat angles P-C4'-P energy: -94.588 tors. eta vs tors. theta energy: -94.913 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: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1274.283008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.283008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.283008 (E_RNA) where: Base-Base interactions energy: -763.080 where: short stacking energy: -338.964 Base-Backbone interact. energy: 1.387 local terms energy: -512.589834 where: bonds (distance) C4'-P energy: -120.406 bonds (distance) P-C4' energy: -136.649 flat angles C4'-P-C4' energy: -132.242 flat angles P-C4'-P energy: -84.064 tors. eta vs tors. theta energy: -39.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -847.546461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.546461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.546461 (E_RNA) where: Base-Base interactions energy: -418.999 where: short stacking energy: -233.582 Base-Backbone interact. energy: 1.835 local terms energy: -430.382695 where: bonds (distance) C4'-P energy: -137.450 bonds (distance) P-C4' energy: -138.852 flat angles C4'-P-C4' energy: -113.942 flat angles P-C4'-P energy: -55.798 tors. eta vs tors. theta energy: 15.660 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: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -700.597705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.597705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.597705 (E_RNA) where: Base-Base interactions energy: -316.490 where: short stacking energy: -208.002 Base-Backbone interact. energy: -0.775 local terms energy: -383.332345 where: bonds (distance) C4'-P energy: -119.321 bonds (distance) P-C4' energy: -134.208 flat angles C4'-P-C4' energy: -116.365 flat angles P-C4'-P energy: -45.654 tors. eta vs tors. theta energy: 32.216 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: 9 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2743.962460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.962460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.962460 (E_RNA) where: Base-Base interactions energy: -1885.890 where: short stacking energy: -797.426 Base-Backbone interact. energy: -3.290 local terms energy: -854.782770 where: bonds (distance) C4'-P energy: -153.836 bonds (distance) P-C4' energy: -165.284 flat angles C4'-P-C4' energy: -189.294 flat angles P-C4'-P energy: -118.177 tors. eta vs tors. theta energy: -228.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2610.540859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.540859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.540859 (E_RNA) where: Base-Base interactions energy: -1780.776 where: short stacking energy: -778.408 Base-Backbone interact. energy: -4.099 local terms energy: -825.665152 where: bonds (distance) C4'-P energy: -155.137 bonds (distance) P-C4' energy: -163.808 flat angles C4'-P-C4' energy: -186.686 flat angles P-C4'-P energy: -105.589 tors. eta vs tors. theta energy: -214.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2563.786189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.786189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.786189 (E_RNA) where: Base-Base interactions energy: -1751.426 where: short stacking energy: -740.326 Base-Backbone interact. energy: 2.384 local terms energy: -814.743954 where: bonds (distance) C4'-P energy: -147.845 bonds (distance) P-C4' energy: -155.142 flat angles C4'-P-C4' energy: -182.762 flat angles P-C4'-P energy: -113.422 tors. eta vs tors. theta energy: -215.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2376.044446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.044446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.044446 (E_RNA) where: Base-Base interactions energy: -1614.630 where: short stacking energy: -702.880 Base-Backbone interact. energy: -4.693 local terms energy: -756.721281 where: bonds (distance) C4'-P energy: -146.026 bonds (distance) P-C4' energy: -159.327 flat angles C4'-P-C4' energy: -151.795 flat angles P-C4'-P energy: -107.998 tors. eta vs tors. theta energy: -191.575 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: 148 Temperature: 1.100000 Total energy: -2154.550785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.550785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.550785 (E_RNA) where: Base-Base interactions energy: -1428.149 where: short stacking energy: -610.004 Base-Backbone interact. energy: -5.767 local terms energy: -720.634681 where: bonds (distance) C4'-P energy: -138.251 bonds (distance) P-C4' energy: -163.412 flat angles C4'-P-C4' energy: -162.436 flat angles P-C4'-P energy: -88.721 tors. eta vs tors. theta energy: -167.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2009.943919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.943919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.943919 (E_RNA) where: Base-Base interactions energy: -1319.147 where: short stacking energy: -616.488 Base-Backbone interact. energy: -2.463 local terms energy: -688.334212 where: bonds (distance) C4'-P energy: -133.866 bonds (distance) P-C4' energy: -131.914 flat angles C4'-P-C4' energy: -163.241 flat angles P-C4'-P energy: -93.180 tors. eta vs tors. theta energy: -166.133 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: 148 Temperature: 1.200000 Total energy: -1553.965002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.965002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.965002 (E_RNA) where: Base-Base interactions energy: -996.385 where: short stacking energy: -457.341 Base-Backbone interact. energy: 2.557 local terms energy: -560.137186 where: bonds (distance) C4'-P energy: -123.589 bonds (distance) P-C4' energy: -146.090 flat angles C4'-P-C4' energy: -137.336 flat angles P-C4'-P energy: -69.927 tors. eta vs tors. theta energy: -83.195 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: 8, replica: 5 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1290.452029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.452029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.452029 (E_RNA) where: Base-Base interactions energy: -716.798 where: short stacking energy: -350.201 Base-Backbone interact. energy: -1.404 local terms energy: -572.250345 where: bonds (distance) C4'-P energy: -135.001 bonds (distance) P-C4' energy: -142.714 flat angles C4'-P-C4' energy: -152.758 flat angles P-C4'-P energy: -85.482 tors. eta vs tors. theta energy: -56.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -843.157494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.157494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.157494 (E_RNA) where: Base-Base interactions energy: -403.210 where: short stacking energy: -243.324 Base-Backbone interact. energy: -0.498 local terms energy: -439.449617 where: bonds (distance) C4'-P energy: -129.903 bonds (distance) P-C4' energy: -141.055 flat angles C4'-P-C4' energy: -109.402 flat angles P-C4'-P energy: -74.706 tors. eta vs tors. theta energy: 15.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -728.279997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.279997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.279997 (E_RNA) where: Base-Base interactions energy: -326.121 where: short stacking energy: -221.216 Base-Backbone interact. energy: 3.409 local terms energy: -405.567962 where: bonds (distance) C4'-P energy: -121.133 bonds (distance) P-C4' energy: -150.427 flat angles C4'-P-C4' energy: -111.761 flat angles P-C4'-P energy: -39.102 tors. eta vs tors. theta energy: 16.854 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: 9 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2736.704273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.704273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.704273 (E_RNA) where: Base-Base interactions energy: -1843.158 where: short stacking energy: -810.496 Base-Backbone interact. energy: -3.066 local terms energy: -890.480365 where: bonds (distance) C4'-P energy: -172.963 bonds (distance) P-C4' energy: -175.590 flat angles C4'-P-C4' energy: -196.914 flat angles P-C4'-P energy: -117.825 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: 2, replica: 6 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2676.581050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.581050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.581050 (E_RNA) where: Base-Base interactions energy: -1825.427 where: short stacking energy: -750.328 Base-Backbone interact. energy: -5.287 local terms energy: -845.866286 where: bonds (distance) C4'-P energy: -149.731 bonds (distance) P-C4' energy: -180.687 flat angles C4'-P-C4' energy: -182.762 flat angles P-C4'-P energy: -120.287 tors. eta vs tors. theta energy: -212.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2479.405418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.405418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.405418 (E_RNA) where: Base-Base interactions energy: -1681.160 where: short stacking energy: -730.783 Base-Backbone interact. energy: -2.289 local terms energy: -795.956441 where: bonds (distance) C4'-P energy: -171.276 bonds (distance) P-C4' energy: -148.263 flat angles C4'-P-C4' energy: -170.204 flat angles P-C4'-P energy: -106.199 tors. eta vs tors. theta energy: -200.015 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: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2371.448978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.448978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.448978 (E_RNA) where: Base-Base interactions energy: -1586.978 where: short stacking energy: -663.290 Base-Backbone interact. energy: -3.127 local terms energy: -781.344426 where: bonds (distance) C4'-P energy: -150.321 bonds (distance) P-C4' energy: -166.761 flat angles C4'-P-C4' energy: -178.592 flat angles P-C4'-P energy: -100.264 tors. eta vs tors. theta energy: -185.406 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: 149 Temperature: 1.100000 Total energy: -2209.478497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.478497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.478497 (E_RNA) where: Base-Base interactions energy: -1490.049 where: short stacking energy: -650.995 Base-Backbone interact. energy: 1.346 local terms energy: -720.775621 where: bonds (distance) C4'-P energy: -147.141 bonds (distance) P-C4' energy: -142.934 flat angles C4'-P-C4' energy: -151.123 flat angles P-C4'-P energy: -100.000 tors. eta vs tors. theta energy: -179.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1954.277262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.277262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.277262 (E_RNA) where: Base-Base interactions energy: -1290.250 where: short stacking energy: -586.730 Base-Backbone interact. energy: -2.993 local terms energy: -661.034158 where: bonds (distance) C4'-P energy: -135.724 bonds (distance) P-C4' energy: -137.622 flat angles C4'-P-C4' energy: -154.314 flat angles P-C4'-P energy: -85.729 tors. eta vs tors. theta energy: -147.645 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: 149 Temperature: 1.200000 Total energy: -1548.941169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.941169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.941169 (E_RNA) where: Base-Base interactions energy: -946.209 where: short stacking energy: -427.210 Base-Backbone interact. energy: -3.662 local terms energy: -599.070991 where: bonds (distance) C4'-P energy: -136.599 bonds (distance) P-C4' energy: -153.330 flat angles C4'-P-C4' energy: -138.482 flat angles P-C4'-P energy: -87.084 tors. eta vs tors. theta energy: -83.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1299.615363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.615363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.615363 (E_RNA) where: Base-Base interactions energy: -787.594 where: short stacking energy: -372.209 Base-Backbone interact. energy: -3.102 local terms energy: -508.918922 where: bonds (distance) C4'-P energy: -135.611 bonds (distance) P-C4' energy: -127.244 flat angles C4'-P-C4' energy: -119.330 flat angles P-C4'-P energy: -76.200 tors. eta vs tors. theta energy: -50.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -873.801381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.801381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.801381 (E_RNA) where: Base-Base interactions energy: -396.168 where: short stacking energy: -249.270 Base-Backbone interact. energy: -0.024 local terms energy: -477.609212 where: bonds (distance) C4'-P energy: -139.734 bonds (distance) P-C4' energy: -131.442 flat angles C4'-P-C4' energy: -109.161 flat angles P-C4'-P energy: -95.526 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -714.045554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.045554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.045554 (E_RNA) where: Base-Base interactions energy: -322.268 where: short stacking energy: -189.294 Base-Backbone interact. energy: 7.280 local terms energy: -399.057218 where: bonds (distance) C4'-P energy: -122.598 bonds (distance) P-C4' energy: -152.225 flat angles C4'-P-C4' energy: -111.109 flat angles P-C4'-P energy: -48.677 tors. eta vs tors. theta energy: 35.552 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: 9 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2759.238618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.238618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.238618 (E_RNA) where: Base-Base interactions energy: -1846.287 where: short stacking energy: -810.891 Base-Backbone interact. energy: -2.145 local terms energy: -910.805926 where: bonds (distance) C4'-P energy: -180.793 bonds (distance) P-C4' energy: -167.595 flat angles C4'-P-C4' energy: -201.349 flat angles P-C4'-P energy: -130.036 tors. eta vs tors. theta energy: -231.033 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: 6 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2677.384184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.384184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.384184 (E_RNA) where: Base-Base interactions energy: -1848.044 where: short stacking energy: -762.234 Base-Backbone interact. energy: -0.416 local terms energy: -828.924154 where: bonds (distance) C4'-P energy: -160.476 bonds (distance) P-C4' energy: -157.607 flat angles C4'-P-C4' energy: -173.740 flat angles P-C4'-P energy: -125.253 tors. eta vs tors. theta energy: -211.849 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: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2459.236577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.236577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.236577 (E_RNA) where: Base-Base interactions energy: -1695.879 where: short stacking energy: -723.438 Base-Backbone interact. energy: 2.443 local terms energy: -765.800883 where: bonds (distance) C4'-P energy: -142.249 bonds (distance) P-C4' energy: -161.936 flat angles C4'-P-C4' energy: -163.612 flat angles P-C4'-P energy: -103.142 tors. eta vs tors. theta energy: -194.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2444.047215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.047215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.047215 (E_RNA) where: Base-Base interactions energy: -1672.292 where: short stacking energy: -730.832 Base-Backbone interact. energy: 1.191 local terms energy: -772.946401 where: bonds (distance) C4'-P energy: -129.751 bonds (distance) P-C4' energy: -139.498 flat angles C4'-P-C4' energy: -172.274 flat angles P-C4'-P energy: -119.786 tors. eta vs tors. theta energy: -211.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2130.883078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.883078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.883078 (E_RNA) where: Base-Base interactions energy: -1401.916 where: short stacking energy: -635.772 Base-Backbone interact. energy: 1.022 local terms energy: -729.988847 where: bonds (distance) C4'-P energy: -137.710 bonds (distance) P-C4' energy: -149.728 flat angles C4'-P-C4' energy: -154.480 flat angles P-C4'-P energy: -109.759 tors. eta vs tors. theta energy: -178.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2028.994267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.994267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.994267 (E_RNA) where: Base-Base interactions energy: -1305.893 where: short stacking energy: -604.429 Base-Backbone interact. energy: -0.218 local terms energy: -722.882948 where: bonds (distance) C4'-P energy: -136.820 bonds (distance) P-C4' energy: -158.447 flat angles C4'-P-C4' energy: -156.629 flat angles P-C4'-P energy: -112.694 tors. eta vs tors. theta energy: -158.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1569.847645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.847645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.847645 (E_RNA) where: Base-Base interactions energy: -985.730 where: short stacking energy: -433.354 Base-Backbone interact. energy: -4.887 local terms energy: -579.230252 where: bonds (distance) C4'-P energy: -139.804 bonds (distance) P-C4' energy: -149.665 flat angles C4'-P-C4' energy: -136.687 flat angles P-C4'-P energy: -87.749 tors. eta vs tors. theta energy: -65.326 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: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1255.154084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.154084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.154084 (E_RNA) where: Base-Base interactions energy: -731.552 where: short stacking energy: -379.101 Base-Backbone interact. energy: 1.705 local terms energy: -525.307345 where: bonds (distance) C4'-P energy: -141.215 bonds (distance) P-C4' energy: -128.179 flat angles C4'-P-C4' energy: -127.775 flat angles P-C4'-P energy: -77.140 tors. eta vs tors. theta energy: -50.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -894.301704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.301704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.301704 (E_RNA) where: Base-Base interactions energy: -455.043 where: short stacking energy: -233.239 Base-Backbone interact. energy: -1.093 local terms energy: -438.165224 where: bonds (distance) C4'-P energy: -128.346 bonds (distance) P-C4' energy: -141.499 flat angles C4'-P-C4' energy: -118.427 flat angles P-C4'-P energy: -74.641 tors. eta vs tors. theta energy: 24.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -723.651664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.651664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.651664 (E_RNA) where: Base-Base interactions energy: -311.264 where: short stacking energy: -209.616 Base-Backbone interact. energy: 0.428 local terms energy: -412.815654 where: bonds (distance) C4'-P energy: -126.654 bonds (distance) P-C4' energy: -138.746 flat angles C4'-P-C4' energy: -115.352 flat angles P-C4'-P energy: -43.144 tors. eta vs tors. theta energy: 11.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2743.620166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.620166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.620166 (E_RNA) where: Base-Base interactions energy: -1852.863 where: short stacking energy: -798.100 Base-Backbone interact. energy: -1.941 local terms energy: -888.816337 where: bonds (distance) C4'-P energy: -173.909 bonds (distance) P-C4' energy: -173.010 flat angles C4'-P-C4' energy: -180.220 flat angles P-C4'-P energy: -129.771 tors. eta vs tors. theta energy: -231.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2724.506172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.506172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.506172 (E_RNA) where: Base-Base interactions energy: -1859.758 where: short stacking energy: -775.812 Base-Backbone interact. energy: -4.810 local terms energy: -859.938438 where: bonds (distance) C4'-P energy: -164.448 bonds (distance) P-C4' energy: -169.445 flat angles C4'-P-C4' energy: -176.451 flat angles P-C4'-P energy: -128.663 tors. eta vs tors. theta energy: -220.932 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: 3, replica: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2480.516663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.516663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.516663 (E_RNA) where: Base-Base interactions energy: -1699.688 where: short stacking energy: -713.489 Base-Backbone interact. energy: -2.973 local terms energy: -777.855841 where: bonds (distance) C4'-P energy: -144.106 bonds (distance) P-C4' energy: -159.846 flat angles C4'-P-C4' energy: -181.687 flat angles P-C4'-P energy: -99.144 tors. eta vs tors. theta energy: -193.074 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: 4, replica: 7 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2410.492853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.492853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.492853 (E_RNA) where: Base-Base interactions energy: -1637.500 where: short stacking energy: -727.160 Base-Backbone interact. energy: -2.538 local terms energy: -770.454912 where: bonds (distance) C4'-P energy: -140.071 bonds (distance) P-C4' energy: -148.782 flat angles C4'-P-C4' energy: -170.918 flat angles P-C4'-P energy: -105.346 tors. eta vs tors. theta energy: -205.339 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: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2219.796129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.796129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.796129 (E_RNA) where: Base-Base interactions energy: -1474.096 where: short stacking energy: -678.547 Base-Backbone interact. energy: -6.566 local terms energy: -739.134459 where: bonds (distance) C4'-P energy: -144.701 bonds (distance) P-C4' energy: -139.475 flat angles C4'-P-C4' energy: -160.004 flat angles P-C4'-P energy: -116.497 tors. eta vs tors. theta energy: -178.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2018.967940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.967940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.967940 (E_RNA) where: Base-Base interactions energy: -1340.347 where: short stacking energy: -608.557 Base-Backbone interact. energy: -2.572 local terms energy: -676.048269 where: bonds (distance) C4'-P energy: -128.729 bonds (distance) P-C4' energy: -155.175 flat angles C4'-P-C4' energy: -155.035 flat angles P-C4'-P energy: -81.181 tors. eta vs tors. theta energy: -155.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1545.843865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.843865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.843865 (E_RNA) where: Base-Base interactions energy: -958.805 where: short stacking energy: -427.070 Base-Backbone interact. energy: -3.293 local terms energy: -583.745791 where: bonds (distance) C4'-P energy: -116.867 bonds (distance) P-C4' energy: -156.842 flat angles C4'-P-C4' energy: -140.074 flat angles P-C4'-P energy: -93.239 tors. eta vs tors. theta energy: -76.723 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: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1264.723461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.723461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.723461 (E_RNA) where: Base-Base interactions energy: -756.268 where: short stacking energy: -379.653 Base-Backbone interact. energy: 0.546 local terms energy: -509.000899 where: bonds (distance) C4'-P energy: -124.069 bonds (distance) P-C4' energy: -143.663 flat angles C4'-P-C4' energy: -128.249 flat angles P-C4'-P energy: -61.950 tors. eta vs tors. theta energy: -51.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -845.706385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.706385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.706385 (E_RNA) where: Base-Base interactions energy: -366.087 where: short stacking energy: -206.614 Base-Backbone interact. energy: -0.635 local terms energy: -478.984136 where: bonds (distance) C4'-P energy: -145.580 bonds (distance) P-C4' energy: -156.795 flat angles C4'-P-C4' energy: -112.054 flat angles P-C4'-P energy: -63.567 tors. eta vs tors. theta energy: -0.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -723.758627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.758627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.758627 (E_RNA) where: Base-Base interactions energy: -320.839 where: short stacking energy: -194.961 Base-Backbone interact. energy: 5.560 local terms energy: -408.480178 where: bonds (distance) C4'-P energy: -131.287 bonds (distance) P-C4' energy: -131.031 flat angles C4'-P-C4' energy: -101.914 flat angles P-C4'-P energy: -71.692 tors. eta vs tors. theta energy: 27.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2745.147037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.147037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.147037 (E_RNA) where: Base-Base interactions energy: -1889.086 where: short stacking energy: -817.581 Base-Backbone interact. energy: -3.316 local terms energy: -852.745085 where: bonds (distance) C4'-P energy: -162.239 bonds (distance) P-C4' energy: -172.166 flat angles C4'-P-C4' energy: -184.029 flat angles P-C4'-P energy: -100.570 tors. eta vs tors. theta energy: -233.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2674.671914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.671914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.671914 (E_RNA) where: Base-Base interactions energy: -1837.379 where: short stacking energy: -763.618 Base-Backbone interact. energy: -2.711 local terms energy: -834.581726 where: bonds (distance) C4'-P energy: -147.792 bonds (distance) P-C4' energy: -160.523 flat angles C4'-P-C4' energy: -187.570 flat angles P-C4'-P energy: -120.493 tors. eta vs tors. theta energy: -218.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2437.492183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.492183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.492183 (E_RNA) where: Base-Base interactions energy: -1670.188 where: short stacking energy: -699.458 Base-Backbone interact. energy: -2.797 local terms energy: -764.506982 where: bonds (distance) C4'-P energy: -158.369 bonds (distance) P-C4' energy: -138.310 flat angles C4'-P-C4' energy: -169.972 flat angles P-C4'-P energy: -115.536 tors. eta vs tors. theta energy: -182.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2438.511974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.511974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.511974 (E_RNA) where: Base-Base interactions energy: -1641.389 where: short stacking energy: -706.592 Base-Backbone interact. energy: 0.500 local terms energy: -797.623326 where: bonds (distance) C4'-P energy: -137.946 bonds (distance) P-C4' energy: -162.293 flat angles C4'-P-C4' energy: -180.029 flat angles P-C4'-P energy: -108.096 tors. eta vs tors. theta energy: -209.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2174.019888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.019888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.019888 (E_RNA) where: Base-Base interactions energy: -1428.626 where: short stacking energy: -644.297 Base-Backbone interact. energy: -2.533 local terms energy: -742.860644 where: bonds (distance) C4'-P energy: -139.109 bonds (distance) P-C4' energy: -141.936 flat angles C4'-P-C4' energy: -162.781 flat angles P-C4'-P energy: -107.822 tors. eta vs tors. theta energy: -191.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1985.462484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.462484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.462484 (E_RNA) where: Base-Base interactions energy: -1288.301 where: short stacking energy: -569.088 Base-Backbone interact. energy: -0.946 local terms energy: -696.216370 where: bonds (distance) C4'-P energy: -117.611 bonds (distance) P-C4' energy: -159.132 flat angles C4'-P-C4' energy: -161.231 flat angles P-C4'-P energy: -105.346 tors. eta vs tors. theta energy: -152.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1532.295868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.295868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.295868 (E_RNA) where: Base-Base interactions energy: -952.527 where: short stacking energy: -434.012 Base-Backbone interact. energy: -0.306 local terms energy: -579.463248 where: bonds (distance) C4'-P energy: -134.386 bonds (distance) P-C4' energy: -140.632 flat angles C4'-P-C4' energy: -148.200 flat angles P-C4'-P energy: -86.547 tors. eta vs tors. theta energy: -69.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1301.010387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.010387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.010387 (E_RNA) where: Base-Base interactions energy: -729.816 where: short stacking energy: -361.106 Base-Backbone interact. energy: -1.446 local terms energy: -569.748681 where: bonds (distance) C4'-P energy: -146.073 bonds (distance) P-C4' energy: -137.595 flat angles C4'-P-C4' energy: -133.677 flat angles P-C4'-P energy: -96.698 tors. eta vs tors. theta energy: -55.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -882.378110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.378110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.378110 (E_RNA) where: Base-Base interactions energy: -391.494 where: short stacking energy: -236.401 Base-Backbone interact. energy: -5.185 local terms energy: -485.698749 where: bonds (distance) C4'-P energy: -150.029 bonds (distance) P-C4' energy: -133.804 flat angles C4'-P-C4' energy: -119.389 flat angles P-C4'-P energy: -82.249 tors. eta vs tors. theta energy: -0.227 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: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -778.717665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.717665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.717665 (E_RNA) where: Base-Base interactions energy: -355.486 where: short stacking energy: -198.006 Base-Backbone interact. energy: -2.038 local terms energy: -421.194064 where: bonds (distance) C4'-P energy: -125.504 bonds (distance) P-C4' energy: -134.011 flat angles C4'-P-C4' energy: -107.870 flat angles P-C4'-P energy: -52.427 tors. eta vs tors. theta energy: -1.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2771.492981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.492981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.492981 (E_RNA) where: Base-Base interactions energy: -1895.996 where: short stacking energy: -805.072 Base-Backbone interact. energy: -2.325 local terms energy: -873.172124 where: bonds (distance) C4'-P energy: -160.433 bonds (distance) P-C4' energy: -174.333 flat angles C4'-P-C4' energy: -201.516 flat angles P-C4'-P energy: -116.106 tors. eta vs tors. theta energy: -220.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2688.936888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.936888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.936888 (E_RNA) where: Base-Base interactions energy: -1863.429 where: short stacking energy: -747.742 Base-Backbone interact. energy: -3.439 local terms energy: -822.069624 where: bonds (distance) C4'-P energy: -159.000 bonds (distance) P-C4' energy: -146.511 flat angles C4'-P-C4' energy: -173.730 flat angles P-C4'-P energy: -125.581 tors. eta vs tors. theta energy: -217.248 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: 153 Temperature: 1.000000 Total energy: -2416.737034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.737034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.737034 (E_RNA) where: Base-Base interactions energy: -1657.078 where: short stacking energy: -690.339 Base-Backbone interact. energy: -0.625 local terms energy: -759.034095 where: bonds (distance) C4'-P energy: -149.774 bonds (distance) P-C4' energy: -161.072 flat angles C4'-P-C4' energy: -164.054 flat angles P-C4'-P energy: -112.013 tors. eta vs tors. theta energy: -172.121 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: 153 Temperature: 1.050000 Total energy: -2358.406671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.406671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.406671 (E_RNA) where: Base-Base interactions energy: -1636.412 where: short stacking energy: -669.393 Base-Backbone interact. energy: 5.410 local terms energy: -727.404630 where: bonds (distance) C4'-P energy: -139.097 bonds (distance) P-C4' energy: -147.163 flat angles C4'-P-C4' energy: -156.330 flat angles P-C4'-P energy: -105.235 tors. eta vs tors. theta energy: -179.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2130.728332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.728332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.728332 (E_RNA) where: Base-Base interactions energy: -1411.819 where: short stacking energy: -643.926 Base-Backbone interact. energy: -0.738 local terms energy: -718.171230 where: bonds (distance) C4'-P energy: -148.353 bonds (distance) P-C4' energy: -132.385 flat angles C4'-P-C4' energy: -149.301 flat angles P-C4'-P energy: -110.665 tors. eta vs tors. theta energy: -177.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2004.033662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.033662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.033662 (E_RNA) where: Base-Base interactions energy: -1287.923 where: short stacking energy: -575.332 Base-Backbone interact. energy: -3.525 local terms energy: -712.585056 where: bonds (distance) C4'-P energy: -145.104 bonds (distance) P-C4' energy: -143.837 flat angles C4'-P-C4' energy: -154.276 flat angles P-C4'-P energy: -121.304 tors. eta vs tors. theta energy: -148.064 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: 3 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1509.939162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.939162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.939162 (E_RNA) where: Base-Base interactions energy: -898.052 where: short stacking energy: -429.823 Base-Backbone interact. energy: -2.179 local terms energy: -609.707977 where: bonds (distance) C4'-P energy: -140.855 bonds (distance) P-C4' energy: -137.109 flat angles C4'-P-C4' energy: -156.186 flat angles P-C4'-P energy: -83.712 tors. eta vs tors. theta energy: -91.847 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: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1241.786738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.786738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.786738 (E_RNA) where: Base-Base interactions energy: -693.100 where: short stacking energy: -339.525 Base-Backbone interact. energy: 3.205 local terms energy: -551.891165 where: bonds (distance) C4'-P energy: -142.734 bonds (distance) P-C4' energy: -139.124 flat angles C4'-P-C4' energy: -139.648 flat angles P-C4'-P energy: -93.167 tors. eta vs tors. theta energy: -37.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -904.786847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.786847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.786847 (E_RNA) where: Base-Base interactions energy: -430.414 where: short stacking energy: -236.989 Base-Backbone interact. energy: 6.483 local terms energy: -480.855503 where: bonds (distance) C4'-P energy: -141.333 bonds (distance) P-C4' energy: -140.458 flat angles C4'-P-C4' energy: -124.955 flat angles P-C4'-P energy: -70.512 tors. eta vs tors. theta energy: -3.597 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: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -774.698778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.698778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.698778 (E_RNA) where: Base-Base interactions energy: -367.407 where: short stacking energy: -227.970 Base-Backbone interact. energy: 2.032 local terms energy: -409.324149 where: bonds (distance) C4'-P energy: -120.453 bonds (distance) P-C4' energy: -129.520 flat angles C4'-P-C4' energy: -115.189 flat angles P-C4'-P energy: -45.081 tors. eta vs tors. theta energy: 0.919 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: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2721.192153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.192153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.192153 (E_RNA) where: Base-Base interactions energy: -1864.443 where: short stacking energy: -788.787 Base-Backbone interact. energy: -5.667 local terms energy: -851.082578 where: bonds (distance) C4'-P energy: -158.694 bonds (distance) P-C4' energy: -171.575 flat angles C4'-P-C4' energy: -191.947 flat angles P-C4'-P energy: -99.464 tors. eta vs tors. theta energy: -229.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2696.071684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.071684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.071684 (E_RNA) where: Base-Base interactions energy: -1867.833 where: short stacking energy: -749.045 Base-Backbone interact. energy: -5.515 local terms energy: -822.723904 where: bonds (distance) C4'-P energy: -156.621 bonds (distance) P-C4' energy: -155.901 flat angles C4'-P-C4' energy: -179.623 flat angles P-C4'-P energy: -110.220 tors. eta vs tors. theta energy: -220.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2441.558507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.558507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.558507 (E_RNA) where: Base-Base interactions energy: -1636.638 where: short stacking energy: -705.006 Base-Backbone interact. energy: 4.805 local terms energy: -809.725795 where: bonds (distance) C4'-P energy: -155.431 bonds (distance) P-C4' energy: -165.128 flat angles C4'-P-C4' energy: -175.959 flat angles P-C4'-P energy: -109.452 tors. eta vs tors. theta energy: -203.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2353.238402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.238402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.238402 (E_RNA) where: Base-Base interactions energy: -1615.564 where: short stacking energy: -653.512 Base-Backbone interact. energy: -2.932 local terms energy: -734.742726 where: bonds (distance) C4'-P energy: -128.798 bonds (distance) P-C4' energy: -144.964 flat angles C4'-P-C4' energy: -183.518 flat angles P-C4'-P energy: -105.584 tors. eta vs tors. theta energy: -171.880 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: 2 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2178.722078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.722078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.722078 (E_RNA) where: Base-Base interactions energy: -1454.751 where: short stacking energy: -591.626 Base-Backbone interact. energy: -6.172 local terms energy: -717.798830 where: bonds (distance) C4'-P energy: -137.933 bonds (distance) P-C4' energy: -150.285 flat angles C4'-P-C4' energy: -169.040 flat angles P-C4'-P energy: -96.808 tors. eta vs tors. theta energy: -163.733 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: 154 Temperature: 1.150000 Total energy: -1996.141368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.141368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.141368 (E_RNA) where: Base-Base interactions energy: -1326.905 where: short stacking energy: -580.703 Base-Backbone interact. energy: 2.032 local terms energy: -671.268674 where: bonds (distance) C4'-P energy: -142.051 bonds (distance) P-C4' energy: -133.813 flat angles C4'-P-C4' energy: -156.314 flat angles P-C4'-P energy: -97.751 tors. eta vs tors. theta energy: -141.339 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: 3 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1573.447454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.447454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.447454 (E_RNA) where: Base-Base interactions energy: -976.689 where: short stacking energy: -447.786 Base-Backbone interact. energy: 0.962 local terms energy: -597.720539 where: bonds (distance) C4'-P energy: -124.393 bonds (distance) P-C4' energy: -153.846 flat angles C4'-P-C4' energy: -143.176 flat angles P-C4'-P energy: -100.072 tors. eta vs tors. theta energy: -76.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1304.507898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.507898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.507898 (E_RNA) where: Base-Base interactions energy: -753.059 where: short stacking energy: -368.729 Base-Backbone interact. energy: 0.932 local terms energy: -552.380488 where: bonds (distance) C4'-P energy: -141.815 bonds (distance) P-C4' energy: -149.865 flat angles C4'-P-C4' energy: -129.215 flat angles P-C4'-P energy: -72.924 tors. eta vs tors. theta energy: -58.563 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: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -983.605951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.605951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.605951 (E_RNA) where: Base-Base interactions energy: -493.402 where: short stacking energy: -285.055 Base-Backbone interact. energy: -0.100 local terms energy: -490.103804 where: bonds (distance) C4'-P energy: -125.564 bonds (distance) P-C4' energy: -145.956 flat angles C4'-P-C4' energy: -132.978 flat angles P-C4'-P energy: -61.489 tors. eta vs tors. theta energy: -24.117 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: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -711.247837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.247837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.247837 (E_RNA) where: Base-Base interactions energy: -273.472 where: short stacking energy: -169.226 Base-Backbone interact. energy: 0.247 local terms energy: -438.022704 where: bonds (distance) C4'-P energy: -138.955 bonds (distance) P-C4' energy: -155.791 flat angles C4'-P-C4' energy: -111.557 flat angles P-C4'-P energy: -59.335 tors. eta vs tors. theta energy: 27.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2725.949935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.949935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.949935 (E_RNA) where: Base-Base interactions energy: -1855.437 where: short stacking energy: -782.199 Base-Backbone interact. energy: -2.786 local terms energy: -867.726751 where: bonds (distance) C4'-P energy: -151.619 bonds (distance) P-C4' energy: -172.430 flat angles C4'-P-C4' energy: -196.591 flat angles P-C4'-P energy: -123.339 tors. eta vs tors. theta energy: -223.747 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: 155 Temperature: 0.950000 Total energy: -2716.258043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.258043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.258043 (E_RNA) where: Base-Base interactions energy: -1878.407 where: short stacking energy: -762.200 Base-Backbone interact. energy: -2.137 local terms energy: -835.713904 where: bonds (distance) C4'-P energy: -153.277 bonds (distance) P-C4' energy: -157.574 flat angles C4'-P-C4' energy: -179.259 flat angles P-C4'-P energy: -129.484 tors. eta vs tors. theta energy: -216.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2464.897022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.897022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.897022 (E_RNA) where: Base-Base interactions energy: -1653.843 where: short stacking energy: -723.528 Base-Backbone interact. energy: -1.389 local terms energy: -809.665451 where: bonds (distance) C4'-P energy: -146.945 bonds (distance) P-C4' energy: -164.445 flat angles C4'-P-C4' energy: -187.883 flat angles P-C4'-P energy: -112.291 tors. eta vs tors. theta energy: -198.102 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: 155 Temperature: 1.050000 Total energy: -2356.197463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.197463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.197463 (E_RNA) where: Base-Base interactions energy: -1605.823 where: short stacking energy: -688.789 Base-Backbone interact. energy: -5.280 local terms energy: -745.094714 where: bonds (distance) C4'-P energy: -129.773 bonds (distance) P-C4' energy: -168.102 flat angles C4'-P-C4' energy: -168.483 flat angles P-C4'-P energy: -109.904 tors. eta vs tors. theta energy: -168.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2193.061917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.061917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.061917 (E_RNA) where: Base-Base interactions energy: -1447.189 where: short stacking energy: -647.500 Base-Backbone interact. energy: -1.703 local terms energy: -744.170861 where: bonds (distance) C4'-P energy: -139.880 bonds (distance) P-C4' energy: -148.662 flat angles C4'-P-C4' energy: -168.322 flat angles P-C4'-P energy: -102.787 tors. eta vs tors. theta energy: -184.520 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: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1975.587884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.587884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.587884 (E_RNA) where: Base-Base interactions energy: -1259.643 where: short stacking energy: -566.772 Base-Backbone interact. energy: -1.951 local terms energy: -713.993900 where: bonds (distance) C4'-P energy: -143.702 bonds (distance) P-C4' energy: -151.842 flat angles C4'-P-C4' energy: -158.951 flat angles P-C4'-P energy: -104.145 tors. eta vs tors. theta energy: -155.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1597.309807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.309807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.309807 (E_RNA) where: Base-Base interactions energy: -1006.542 where: short stacking energy: -475.168 Base-Backbone interact. energy: -0.235 local terms energy: -590.532724 where: bonds (distance) C4'-P energy: -144.756 bonds (distance) P-C4' energy: -142.240 flat angles C4'-P-C4' energy: -127.146 flat angles P-C4'-P energy: -76.327 tors. eta vs tors. theta energy: -100.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1372.499270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.499270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.499270 (E_RNA) where: Base-Base interactions energy: -801.980 where: short stacking energy: -342.823 Base-Backbone interact. energy: -4.332 local terms energy: -566.187383 where: bonds (distance) C4'-P energy: -147.784 bonds (distance) P-C4' energy: -142.278 flat angles C4'-P-C4' energy: -143.190 flat angles P-C4'-P energy: -87.062 tors. eta vs tors. theta energy: -45.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -985.333100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.333100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.333100 (E_RNA) where: Base-Base interactions energy: -488.488 where: short stacking energy: -292.613 Base-Backbone interact. energy: 3.253 local terms energy: -500.098814 where: bonds (distance) C4'-P energy: -130.902 bonds (distance) P-C4' energy: -137.618 flat angles C4'-P-C4' energy: -122.984 flat angles P-C4'-P energy: -87.908 tors. eta vs tors. theta energy: -20.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -709.980342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.980342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.980342 (E_RNA) where: Base-Base interactions energy: -319.179 where: short stacking energy: -218.034 Base-Backbone interact. energy: 0.799 local terms energy: -391.600071 where: bonds (distance) C4'-P energy: -130.249 bonds (distance) P-C4' energy: -141.164 flat angles C4'-P-C4' energy: -88.762 flat angles P-C4'-P energy: -30.907 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2705.988015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.988015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.988015 (E_RNA) where: Base-Base interactions energy: -1846.765 where: short stacking energy: -782.378 Base-Backbone interact. energy: -2.911 local terms energy: -856.311434 where: bonds (distance) C4'-P energy: -164.707 bonds (distance) P-C4' energy: -173.096 flat angles C4'-P-C4' energy: -183.048 flat angles P-C4'-P energy: -120.192 tors. eta vs tors. theta energy: -215.269 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: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2696.071890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.071890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.071890 (E_RNA) where: Base-Base interactions energy: -1875.309 where: short stacking energy: -748.521 Base-Backbone interact. energy: -2.304 local terms energy: -818.458950 where: bonds (distance) C4'-P energy: -160.745 bonds (distance) P-C4' energy: -165.737 flat angles C4'-P-C4' energy: -176.164 flat angles P-C4'-P energy: -109.578 tors. eta vs tors. theta energy: -206.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2468.192252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.192252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.192252 (E_RNA) where: Base-Base interactions energy: -1683.520 where: short stacking energy: -756.760 Base-Backbone interact. energy: -2.800 local terms energy: -781.872891 where: bonds (distance) C4'-P energy: -135.002 bonds (distance) P-C4' energy: -162.834 flat angles C4'-P-C4' energy: -172.735 flat angles P-C4'-P energy: -101.737 tors. eta vs tors. theta energy: -209.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2334.765362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.765362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.765362 (E_RNA) where: Base-Base interactions energy: -1588.771 where: short stacking energy: -680.614 Base-Backbone interact. energy: 1.242 local terms energy: -747.236342 where: bonds (distance) C4'-P energy: -140.895 bonds (distance) P-C4' energy: -150.843 flat angles C4'-P-C4' energy: -174.046 flat angles P-C4'-P energy: -107.422 tors. eta vs tors. theta energy: -174.030 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: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2180.018771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.018771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.018771 (E_RNA) where: Base-Base interactions energy: -1465.456 where: short stacking energy: -633.828 Base-Backbone interact. energy: 0.532 local terms energy: -715.094773 where: bonds (distance) C4'-P energy: -149.061 bonds (distance) P-C4' energy: -133.119 flat angles C4'-P-C4' energy: -161.783 flat angles P-C4'-P energy: -112.878 tors. eta vs tors. theta energy: -158.253 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: 4 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1987.391480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.391480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.391480 (E_RNA) where: Base-Base interactions energy: -1309.220 where: short stacking energy: -584.101 Base-Backbone interact. energy: -2.877 local terms energy: -675.294680 where: bonds (distance) C4'-P energy: -145.841 bonds (distance) P-C4' energy: -126.244 flat angles C4'-P-C4' energy: -149.488 flat angles P-C4'-P energy: -98.728 tors. eta vs tors. theta energy: -154.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1628.646229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.646229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.646229 (E_RNA) where: Base-Base interactions energy: -1049.381 where: short stacking energy: -463.671 Base-Backbone interact. energy: -1.507 local terms energy: -577.758326 where: bonds (distance) C4'-P energy: -133.362 bonds (distance) P-C4' energy: -133.215 flat angles C4'-P-C4' energy: -145.934 flat angles P-C4'-P energy: -80.553 tors. eta vs tors. theta energy: -84.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1371.990132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.990132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.990132 (E_RNA) where: Base-Base interactions energy: -845.534 where: short stacking energy: -376.713 Base-Backbone interact. energy: 2.110 local terms energy: -528.566270 where: bonds (distance) C4'-P energy: -136.228 bonds (distance) P-C4' energy: -132.677 flat angles C4'-P-C4' energy: -131.040 flat angles P-C4'-P energy: -72.856 tors. eta vs tors. theta energy: -55.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -886.580780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.580780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.580780 (E_RNA) where: Base-Base interactions energy: -426.064 where: short stacking energy: -245.308 Base-Backbone interact. energy: 3.124 local terms energy: -463.641146 where: bonds (distance) C4'-P energy: -125.849 bonds (distance) P-C4' energy: -142.656 flat angles C4'-P-C4' energy: -127.317 flat angles P-C4'-P energy: -79.588 tors. eta vs tors. theta energy: 11.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -700.961189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.961189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.961189 (E_RNA) where: Base-Base interactions energy: -299.392 where: short stacking energy: -224.657 Base-Backbone interact. energy: 2.797 local terms energy: -404.366290 where: bonds (distance) C4'-P energy: -128.514 bonds (distance) P-C4' energy: -123.472 flat angles C4'-P-C4' energy: -91.814 flat angles P-C4'-P energy: -63.817 tors. eta vs tors. theta energy: 3.250 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: 1, replica: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2728.692441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.692441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.692441 (E_RNA) where: Base-Base interactions energy: -1854.370 where: short stacking energy: -799.614 Base-Backbone interact. energy: -2.880 local terms energy: -871.442433 where: bonds (distance) C4'-P energy: -154.381 bonds (distance) P-C4' energy: -175.791 flat angles C4'-P-C4' energy: -187.060 flat angles P-C4'-P energy: -133.785 tors. eta vs tors. theta energy: -220.425 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: 2, replica: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2724.402357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.402357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.402357 (E_RNA) where: Base-Base interactions energy: -1873.096 where: short stacking energy: -769.500 Base-Backbone interact. energy: -2.598 local terms energy: -848.708347 where: bonds (distance) C4'-P energy: -152.831 bonds (distance) P-C4' energy: -175.085 flat angles C4'-P-C4' energy: -188.232 flat angles P-C4'-P energy: -114.114 tors. eta vs tors. theta energy: -218.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2473.257335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.257335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.257335 (E_RNA) where: Base-Base interactions energy: -1662.102 where: short stacking energy: -703.576 Base-Backbone interact. energy: -0.499 local terms energy: -810.656604 where: bonds (distance) C4'-P energy: -162.363 bonds (distance) P-C4' energy: -167.979 flat angles C4'-P-C4' energy: -176.437 flat angles P-C4'-P energy: -108.472 tors. eta vs tors. theta energy: -195.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2392.023338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.023338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.023338 (E_RNA) where: Base-Base interactions energy: -1619.952 where: short stacking energy: -687.428 Base-Backbone interact. energy: -4.732 local terms energy: -767.339942 where: bonds (distance) C4'-P energy: -150.799 bonds (distance) P-C4' energy: -147.734 flat angles C4'-P-C4' energy: -185.062 flat angles P-C4'-P energy: -108.836 tors. eta vs tors. theta energy: -174.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2162.683693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.683693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.683693 (E_RNA) where: Base-Base interactions energy: -1464.317 where: short stacking energy: -642.432 Base-Backbone interact. energy: -4.385 local terms energy: -693.981772 where: bonds (distance) C4'-P energy: -112.818 bonds (distance) P-C4' energy: -148.278 flat angles C4'-P-C4' energy: -151.724 flat angles P-C4'-P energy: -106.691 tors. eta vs tors. theta energy: -174.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1947.971566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.971566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.971566 (E_RNA) where: Base-Base interactions energy: -1288.082 where: short stacking energy: -576.729 Base-Backbone interact. energy: -0.754 local terms energy: -659.135636 where: bonds (distance) C4'-P energy: -128.827 bonds (distance) P-C4' energy: -139.567 flat angles C4'-P-C4' energy: -138.730 flat angles P-C4'-P energy: -105.168 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: 7, replica: 3 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1577.238456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.238456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.238456 (E_RNA) where: Base-Base interactions energy: -992.479 where: short stacking energy: -461.550 Base-Backbone interact. energy: 3.057 local terms energy: -587.816343 where: bonds (distance) C4'-P energy: -149.797 bonds (distance) P-C4' energy: -156.256 flat angles C4'-P-C4' energy: -140.917 flat angles P-C4'-P energy: -70.371 tors. eta vs tors. theta energy: -70.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1462.627084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.627084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.627084 (E_RNA) where: Base-Base interactions energy: -897.113 where: short stacking energy: -394.416 Base-Backbone interact. energy: -2.158 local terms energy: -563.355836 where: bonds (distance) C4'-P energy: -144.654 bonds (distance) P-C4' energy: -132.397 flat angles C4'-P-C4' energy: -140.108 flat angles P-C4'-P energy: -76.728 tors. eta vs tors. theta energy: -69.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -935.770026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.770026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.770026 (E_RNA) where: Base-Base interactions energy: -449.947 where: short stacking energy: -253.461 Base-Backbone interact. energy: 1.160 local terms energy: -486.983091 where: bonds (distance) C4'-P energy: -129.244 bonds (distance) P-C4' energy: -148.858 flat angles C4'-P-C4' energy: -142.435 flat angles P-C4'-P energy: -70.649 tors. eta vs tors. theta energy: 4.204 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: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -721.157980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.157980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.157980 (E_RNA) where: Base-Base interactions energy: -320.901 where: short stacking energy: -197.625 Base-Backbone interact. energy: 1.454 local terms energy: -401.711641 where: bonds (distance) C4'-P energy: -125.900 bonds (distance) P-C4' energy: -124.307 flat angles C4'-P-C4' energy: -138.643 flat angles P-C4'-P energy: -48.061 tors. eta vs tors. theta energy: 35.199 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: 9 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2705.869796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.869796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.869796 (E_RNA) where: Base-Base interactions energy: -1856.518 where: short stacking energy: -818.774 Base-Backbone interact. energy: -6.083 local terms energy: -843.268142 where: bonds (distance) C4'-P energy: -151.190 bonds (distance) P-C4' energy: -165.768 flat angles C4'-P-C4' energy: -181.530 flat angles P-C4'-P energy: -118.416 tors. eta vs tors. theta energy: -226.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2713.719874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.719874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.719874 (E_RNA) where: Base-Base interactions energy: -1870.863 where: short stacking energy: -790.907 Base-Backbone interact. energy: 0.839 local terms energy: -843.695314 where: bonds (distance) C4'-P energy: -154.075 bonds (distance) P-C4' energy: -168.342 flat angles C4'-P-C4' energy: -182.481 flat angles P-C4'-P energy: -112.012 tors. eta vs tors. theta energy: -226.785 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: 7 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2485.865826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.865826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.865826 (E_RNA) where: Base-Base interactions energy: -1672.914 where: short stacking energy: -717.417 Base-Backbone interact. energy: -5.360 local terms energy: -807.592014 where: bonds (distance) C4'-P energy: -152.297 bonds (distance) P-C4' energy: -172.597 flat angles C4'-P-C4' energy: -162.897 flat angles P-C4'-P energy: -125.114 tors. eta vs tors. theta energy: -194.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2343.070041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.070041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.070041 (E_RNA) where: Base-Base interactions energy: -1587.378 where: short stacking energy: -651.870 Base-Backbone interact. energy: -3.020 local terms energy: -752.671821 where: bonds (distance) C4'-P energy: -155.895 bonds (distance) P-C4' energy: -160.253 flat angles C4'-P-C4' energy: -166.023 flat angles P-C4'-P energy: -99.914 tors. eta vs tors. theta energy: -170.587 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: 2 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2147.599681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.599681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.599681 (E_RNA) where: Base-Base interactions energy: -1433.338 where: short stacking energy: -626.048 Base-Backbone interact. energy: 0.487 local terms energy: -714.748468 where: bonds (distance) C4'-P energy: -141.969 bonds (distance) P-C4' energy: -142.103 flat angles C4'-P-C4' energy: -144.837 flat angles P-C4'-P energy: -114.861 tors. eta vs tors. theta energy: -170.977 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: 6, replica: 4 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1913.428323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.428323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.428323 (E_RNA) where: Base-Base interactions energy: -1243.121 where: short stacking energy: -539.601 Base-Backbone interact. energy: -1.341 local terms energy: -668.966198 where: bonds (distance) C4'-P energy: -133.831 bonds (distance) P-C4' energy: -128.591 flat angles C4'-P-C4' energy: -152.709 flat angles P-C4'-P energy: -112.521 tors. eta vs tors. theta energy: -141.314 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: 158 Temperature: 1.200000 Total energy: -1568.857605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.857605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.857605 (E_RNA) where: Base-Base interactions energy: -991.993 where: short stacking energy: -444.923 Base-Backbone interact. energy: -7.947 local terms energy: -568.917344 where: bonds (distance) C4'-P energy: -124.820 bonds (distance) P-C4' energy: -140.043 flat angles C4'-P-C4' energy: -134.786 flat angles P-C4'-P energy: -82.877 tors. eta vs tors. theta energy: -86.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1455.460501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.460501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.460501 (E_RNA) where: Base-Base interactions energy: -912.110 where: short stacking energy: -411.344 Base-Backbone interact. energy: -2.270 local terms energy: -541.080406 where: bonds (distance) C4'-P energy: -152.610 bonds (distance) P-C4' energy: -104.082 flat angles C4'-P-C4' energy: -120.196 flat angles P-C4'-P energy: -88.770 tors. eta vs tors. theta energy: -75.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -947.003595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.003595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.003595 (E_RNA) where: Base-Base interactions energy: -482.383 where: short stacking energy: -277.701 Base-Backbone interact. energy: 3.698 local terms energy: -468.319218 where: bonds (distance) C4'-P energy: -132.997 bonds (distance) P-C4' energy: -137.688 flat angles C4'-P-C4' energy: -132.163 flat angles P-C4'-P energy: -83.434 tors. eta vs tors. theta energy: 17.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -771.604728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.604728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.604728 (E_RNA) where: Base-Base interactions energy: -347.541 where: short stacking energy: -219.071 Base-Backbone interact. energy: 1.664 local terms energy: -425.727421 where: bonds (distance) C4'-P energy: -113.053 bonds (distance) P-C4' energy: -136.732 flat angles C4'-P-C4' energy: -125.013 flat angles P-C4'-P energy: -70.401 tors. eta vs tors. theta energy: 19.471 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: 1, replica: 9 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2715.742338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.742338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.742338 (E_RNA) where: Base-Base interactions energy: -1829.832 where: short stacking energy: -788.617 Base-Backbone interact. energy: -1.136 local terms energy: -884.774417 where: bonds (distance) C4'-P energy: -173.268 bonds (distance) P-C4' energy: -166.767 flat angles C4'-P-C4' energy: -190.597 flat angles P-C4'-P energy: -122.010 tors. eta vs tors. theta energy: -232.132 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: 6 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2666.470963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.470963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.470963 (E_RNA) where: Base-Base interactions energy: -1826.881 where: short stacking energy: -760.466 Base-Backbone interact. energy: -4.451 local terms energy: -835.139016 where: bonds (distance) C4'-P energy: -148.999 bonds (distance) P-C4' energy: -185.168 flat angles C4'-P-C4' energy: -181.794 flat angles P-C4'-P energy: -111.706 tors. eta vs tors. theta energy: -207.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2505.597875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.597875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.597875 (E_RNA) where: Base-Base interactions energy: -1701.525 where: short stacking energy: -729.758 Base-Backbone interact. energy: 1.530 local terms energy: -805.603018 where: bonds (distance) C4'-P energy: -160.780 bonds (distance) P-C4' energy: -166.473 flat angles C4'-P-C4' energy: -173.861 flat angles P-C4'-P energy: -93.280 tors. eta vs tors. theta energy: -211.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2343.189789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.189789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.189789 (E_RNA) where: Base-Base interactions energy: -1590.064 where: short stacking energy: -654.110 Base-Backbone interact. energy: -0.713 local terms energy: -752.412891 where: bonds (distance) C4'-P energy: -150.585 bonds (distance) P-C4' energy: -144.678 flat angles C4'-P-C4' energy: -168.422 flat angles P-C4'-P energy: -122.916 tors. eta vs tors. theta energy: -165.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2240.442082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.442082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.442082 (E_RNA) where: Base-Base interactions energy: -1482.885 where: short stacking energy: -676.131 Base-Backbone interact. energy: -3.935 local terms energy: -753.622499 where: bonds (distance) C4'-P energy: -145.175 bonds (distance) P-C4' energy: -152.005 flat angles C4'-P-C4' energy: -162.776 flat angles P-C4'-P energy: -104.832 tors. eta vs tors. theta energy: -188.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1977.493249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.493249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.493249 (E_RNA) where: Base-Base interactions energy: -1276.277 where: short stacking energy: -597.626 Base-Backbone interact. energy: -3.326 local terms energy: -697.889489 where: bonds (distance) C4'-P energy: -145.513 bonds (distance) P-C4' energy: -145.947 flat angles C4'-P-C4' energy: -157.026 flat angles P-C4'-P energy: -91.073 tors. eta vs tors. theta energy: -158.330 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: 5 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1619.878650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.878650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.878650 (E_RNA) where: Base-Base interactions energy: -989.408 where: short stacking energy: -475.477 Base-Backbone interact. energy: -5.579 local terms energy: -624.891888 where: bonds (distance) C4'-P energy: -149.571 bonds (distance) P-C4' energy: -142.729 flat angles C4'-P-C4' energy: -142.887 flat angles P-C4'-P energy: -78.497 tors. eta vs tors. theta energy: -111.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1440.587740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.587740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.587740 (E_RNA) where: Base-Base interactions energy: -897.762 where: short stacking energy: -404.638 Base-Backbone interact. energy: -0.938 local terms energy: -541.888104 where: bonds (distance) C4'-P energy: -117.519 bonds (distance) P-C4' energy: -146.334 flat angles C4'-P-C4' energy: -122.457 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: -81.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -916.455815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.455815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.455815 (E_RNA) where: Base-Base interactions energy: -464.571 where: short stacking energy: -238.092 Base-Backbone interact. energy: 1.376 local terms energy: -453.260959 where: bonds (distance) C4'-P energy: -132.527 bonds (distance) P-C4' energy: -138.694 flat angles C4'-P-C4' energy: -131.510 flat angles P-C4'-P energy: -58.475 tors. eta vs tors. theta energy: 7.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -717.610992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.610992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.610992 (E_RNA) where: Base-Base interactions energy: -297.344 where: short stacking energy: -212.489 Base-Backbone interact. energy: -0.308 local terms energy: -419.958672 where: bonds (distance) C4'-P energy: -125.193 bonds (distance) P-C4' energy: -142.222 flat angles C4'-P-C4' energy: -104.512 flat angles P-C4'-P energy: -71.118 tors. eta vs tors. theta energy: 23.086 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: 9 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2746.385578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.385578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.385578 (E_RNA) where: Base-Base interactions energy: -1864.459 where: short stacking energy: -815.238 Base-Backbone interact. energy: -2.337 local terms energy: -879.588652 where: bonds (distance) C4'-P energy: -180.016 bonds (distance) P-C4' energy: -155.454 flat angles C4'-P-C4' energy: -190.241 flat angles P-C4'-P energy: -111.956 tors. eta vs tors. theta energy: -241.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2673.781393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.781393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.781393 (E_RNA) where: Base-Base interactions energy: -1834.257 where: short stacking energy: -748.611 Base-Backbone interact. energy: -2.982 local terms energy: -836.542610 where: bonds (distance) C4'-P energy: -140.389 bonds (distance) P-C4' energy: -169.936 flat angles C4'-P-C4' energy: -183.240 flat angles P-C4'-P energy: -119.481 tors. eta vs tors. theta energy: -223.497 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: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2501.833556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.833556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.833556 (E_RNA) where: Base-Base interactions energy: -1711.478 where: short stacking energy: -723.204 Base-Backbone interact. energy: -1.227 local terms energy: -789.129034 where: bonds (distance) C4'-P energy: -143.303 bonds (distance) P-C4' energy: -167.229 flat angles C4'-P-C4' energy: -176.953 flat angles P-C4'-P energy: -101.705 tors. eta vs tors. theta energy: -199.940 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: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2316.532450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.532450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.532450 (E_RNA) where: Base-Base interactions energy: -1578.161 where: short stacking energy: -626.758 Base-Backbone interact. energy: 1.055 local terms energy: -739.426264 where: bonds (distance) C4'-P energy: -157.041 bonds (distance) P-C4' energy: -146.421 flat angles C4'-P-C4' energy: -182.940 flat angles P-C4'-P energy: -95.006 tors. eta vs tors. theta energy: -158.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2245.545096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.545096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.545096 (E_RNA) where: Base-Base interactions energy: -1498.523 where: short stacking energy: -638.070 Base-Backbone interact. energy: -3.493 local terms energy: -743.529270 where: bonds (distance) C4'-P energy: -137.288 bonds (distance) P-C4' energy: -142.143 flat angles C4'-P-C4' energy: -164.478 flat angles P-C4'-P energy: -125.412 tors. eta vs tors. theta energy: -174.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2051.389604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.389604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.389604 (E_RNA) where: Base-Base interactions energy: -1351.001 where: short stacking energy: -620.145 Base-Backbone interact. energy: 1.154 local terms energy: -701.542891 where: bonds (distance) C4'-P energy: -145.642 bonds (distance) P-C4' energy: -151.398 flat angles C4'-P-C4' energy: -158.295 flat angles P-C4'-P energy: -86.795 tors. eta vs tors. theta energy: -159.413 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: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1673.653009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.653009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.653009 (E_RNA) where: Base-Base interactions energy: -1046.244 where: short stacking energy: -471.903 Base-Backbone interact. energy: -2.556 local terms energy: -624.853059 where: bonds (distance) C4'-P energy: -151.825 bonds (distance) P-C4' energy: -148.001 flat angles C4'-P-C4' energy: -137.133 flat angles P-C4'-P energy: -85.133 tors. eta vs tors. theta energy: -102.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1486.367913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.367913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.367913 (E_RNA) where: Base-Base interactions energy: -923.783 where: short stacking energy: -415.680 Base-Backbone interact. energy: -3.624 local terms energy: -558.960302 where: bonds (distance) C4'-P energy: -119.975 bonds (distance) P-C4' energy: -150.087 flat angles C4'-P-C4' energy: -129.575 flat angles P-C4'-P energy: -74.399 tors. eta vs tors. theta energy: -84.923 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: 9, replica: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -829.687226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.687226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.687226 (E_RNA) where: Base-Base interactions energy: -401.092 where: short stacking energy: -220.351 Base-Backbone interact. energy: 9.253 local terms energy: -437.847647 where: bonds (distance) C4'-P energy: -130.666 bonds (distance) P-C4' energy: -146.432 flat angles C4'-P-C4' energy: -123.273 flat angles P-C4'-P energy: -65.306 tors. eta vs tors. theta energy: 27.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -690.061569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.061569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.061569 (E_RNA) where: Base-Base interactions energy: -248.027 where: short stacking energy: -170.097 Base-Backbone interact. energy: 3.421 local terms energy: -445.455734 where: bonds (distance) C4'-P energy: -129.696 bonds (distance) P-C4' energy: -167.324 flat angles C4'-P-C4' energy: -122.321 flat angles P-C4'-P energy: -61.784 tors. eta vs tors. theta energy: 35.669 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: 1, replica: 9 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2767.657186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.657186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.657186 (E_RNA) where: Base-Base interactions energy: -1852.261 where: short stacking energy: -824.785 Base-Backbone interact. energy: -2.253 local terms energy: -913.143109 where: bonds (distance) C4'-P energy: -171.911 bonds (distance) P-C4' energy: -171.037 flat angles C4'-P-C4' energy: -201.361 flat angles P-C4'-P energy: -127.753 tors. eta vs tors. theta energy: -241.081 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: 6 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2666.744556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.744556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.744556 (E_RNA) where: Base-Base interactions energy: -1859.702 where: short stacking energy: -748.193 Base-Backbone interact. energy: 0.086 local terms energy: -807.128596 where: bonds (distance) C4'-P energy: -146.809 bonds (distance) P-C4' energy: -159.919 flat angles C4'-P-C4' energy: -171.466 flat angles P-C4'-P energy: -113.355 tors. eta vs tors. theta energy: -215.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2495.850686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.850686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.850686 (E_RNA) where: Base-Base interactions energy: -1716.986 where: short stacking energy: -711.929 Base-Backbone interact. energy: 1.287 local terms energy: -780.151303 where: bonds (distance) C4'-P energy: -152.867 bonds (distance) P-C4' energy: -151.177 flat angles C4'-P-C4' energy: -171.373 flat angles P-C4'-P energy: -105.044 tors. eta vs tors. theta energy: -199.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2317.693014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.693014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.693014 (E_RNA) where: Base-Base interactions energy: -1569.804 where: short stacking energy: -615.850 Base-Backbone interact. energy: -3.142 local terms energy: -744.746794 where: bonds (distance) C4'-P energy: -150.288 bonds (distance) P-C4' energy: -164.631 flat angles C4'-P-C4' energy: -169.456 flat angles P-C4'-P energy: -99.218 tors. eta vs tors. theta energy: -161.153 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: 2 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2232.777741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.777741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.777741 (E_RNA) where: Base-Base interactions energy: -1461.554 where: short stacking energy: -636.235 Base-Backbone interact. energy: -3.907 local terms energy: -767.316120 where: bonds (distance) C4'-P energy: -155.861 bonds (distance) P-C4' energy: -152.766 flat angles C4'-P-C4' energy: -177.331 flat angles P-C4'-P energy: -104.534 tors. eta vs tors. theta energy: -176.823 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: 6, replica: 4 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1967.428359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.428359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.428359 (E_RNA) where: Base-Base interactions energy: -1262.139 where: short stacking energy: -570.328 Base-Backbone interact. energy: -3.753 local terms energy: -701.536406 where: bonds (distance) C4'-P energy: -139.732 bonds (distance) P-C4' energy: -143.702 flat angles C4'-P-C4' energy: -175.667 flat angles P-C4'-P energy: -94.179 tors. eta vs tors. theta energy: -148.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1636.177638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.177638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.177638 (E_RNA) where: Base-Base interactions energy: -1030.976 where: short stacking energy: -453.452 Base-Backbone interact. energy: -3.681 local terms energy: -601.520387 where: bonds (distance) C4'-P energy: -146.214 bonds (distance) P-C4' energy: -140.607 flat angles C4'-P-C4' energy: -118.553 flat angles P-C4'-P energy: -79.793 tors. eta vs tors. theta energy: -116.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1357.179126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.179126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.179126 (E_RNA) where: Base-Base interactions energy: -837.844 where: short stacking energy: -387.844 Base-Backbone interact. energy: -2.559 local terms energy: -516.776336 where: bonds (distance) C4'-P energy: -116.681 bonds (distance) P-C4' energy: -128.191 flat angles C4'-P-C4' energy: -113.493 flat angles P-C4'-P energy: -97.580 tors. eta vs tors. theta energy: -60.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -915.767363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.767363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.767363 (E_RNA) where: Base-Base interactions energy: -486.230 where: short stacking energy: -275.152 Base-Backbone interact. energy: -2.538 local terms energy: -426.999410 where: bonds (distance) C4'-P energy: -132.831 bonds (distance) P-C4' energy: -135.479 flat angles C4'-P-C4' energy: -96.373 flat angles P-C4'-P energy: -58.047 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -714.948638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.948638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.948638 (E_RNA) where: Base-Base interactions energy: -306.875 where: short stacking energy: -195.361 Base-Backbone interact. energy: 2.276 local terms energy: -410.350072 where: bonds (distance) C4'-P energy: -136.770 bonds (distance) P-C4' energy: -159.398 flat angles C4'-P-C4' energy: -101.799 flat angles P-C4'-P energy: -59.456 tors. eta vs tors. theta energy: 47.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2759.232609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.232609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.232609 (E_RNA) where: Base-Base interactions energy: -1874.473 where: short stacking energy: -798.812 Base-Backbone interact. energy: -7.210 local terms energy: -877.549276 where: bonds (distance) C4'-P energy: -179.019 bonds (distance) P-C4' energy: -171.618 flat angles C4'-P-C4' energy: -176.971 flat angles P-C4'-P energy: -116.105 tors. eta vs tors. theta energy: -233.836 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: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2664.935058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.935058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.935058 (E_RNA) where: Base-Base interactions energy: -1846.718 where: short stacking energy: -741.534 Base-Backbone interact. energy: -2.386 local terms energy: -815.831007 where: bonds (distance) C4'-P energy: -151.565 bonds (distance) P-C4' energy: -168.818 flat angles C4'-P-C4' energy: -186.269 flat angles P-C4'-P energy: -109.906 tors. eta vs tors. theta energy: -199.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2541.141654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.141654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.141654 (E_RNA) where: Base-Base interactions energy: -1712.130 where: short stacking energy: -740.995 Base-Backbone interact. energy: -0.656 local terms energy: -828.355502 where: bonds (distance) C4'-P energy: -154.909 bonds (distance) P-C4' energy: -161.563 flat angles C4'-P-C4' energy: -176.653 flat angles P-C4'-P energy: -114.934 tors. eta vs tors. theta energy: -220.297 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: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2367.268492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.268492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.268492 (E_RNA) where: Base-Base interactions energy: -1608.359 where: short stacking energy: -658.004 Base-Backbone interact. energy: 1.380 local terms energy: -760.289516 where: bonds (distance) C4'-P energy: -155.332 bonds (distance) P-C4' energy: -154.890 flat angles C4'-P-C4' energy: -169.554 flat angles P-C4'-P energy: -120.750 tors. eta vs tors. theta energy: -159.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2260.468429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.468429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.468429 (E_RNA) where: Base-Base interactions energy: -1520.204 where: short stacking energy: -678.060 Base-Backbone interact. energy: -2.514 local terms energy: -737.750519 where: bonds (distance) C4'-P energy: -138.363 bonds (distance) P-C4' energy: -146.302 flat angles C4'-P-C4' energy: -160.398 flat angles P-C4'-P energy: -103.030 tors. eta vs tors. theta energy: -189.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2038.960865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.960865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.960865 (E_RNA) where: Base-Base interactions energy: -1333.003 where: short stacking energy: -629.461 Base-Backbone interact. energy: -2.052 local terms energy: -703.905537 where: bonds (distance) C4'-P energy: -130.807 bonds (distance) P-C4' energy: -156.516 flat angles C4'-P-C4' energy: -152.057 flat angles P-C4'-P energy: -101.195 tors. eta vs tors. theta energy: -163.329 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: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1598.016812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.016812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.016812 (E_RNA) where: Base-Base interactions energy: -1025.503 where: short stacking energy: -435.576 Base-Backbone interact. energy: -3.248 local terms energy: -569.265340 where: bonds (distance) C4'-P energy: -122.384 bonds (distance) P-C4' energy: -134.375 flat angles C4'-P-C4' energy: -123.813 flat angles P-C4'-P energy: -96.126 tors. eta vs tors. theta energy: -92.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1354.898506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.898506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.898506 (E_RNA) where: Base-Base interactions energy: -836.214 where: short stacking energy: -412.338 Base-Backbone interact. energy: 6.917 local terms energy: -525.601541 where: bonds (distance) C4'-P energy: -128.127 bonds (distance) P-C4' energy: -130.648 flat angles C4'-P-C4' energy: -127.641 flat angles P-C4'-P energy: -72.234 tors. eta vs tors. theta energy: -66.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -877.330672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.330672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.330672 (E_RNA) where: Base-Base interactions energy: -427.908 where: short stacking energy: -266.088 Base-Backbone interact. energy: -1.147 local terms energy: -448.275510 where: bonds (distance) C4'-P energy: -106.725 bonds (distance) P-C4' energy: -157.278 flat angles C4'-P-C4' energy: -91.790 flat angles P-C4'-P energy: -78.433 tors. eta vs tors. theta energy: -14.049 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: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -744.643303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.643303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.643303 (E_RNA) where: Base-Base interactions energy: -330.582 where: short stacking energy: -191.676 Base-Backbone interact. energy: 0.135 local terms energy: -414.197061 where: bonds (distance) C4'-P energy: -112.032 bonds (distance) P-C4' energy: -134.970 flat angles C4'-P-C4' energy: -121.259 flat angles P-C4'-P energy: -71.491 tors. eta vs tors. theta energy: 25.554 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: 1, replica: 9 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2764.775697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.775697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.775697 (E_RNA) where: Base-Base interactions energy: -1934.913 where: short stacking energy: -841.189 Base-Backbone interact. energy: -4.694 local terms energy: -825.169059 where: bonds (distance) C4'-P energy: -133.954 bonds (distance) P-C4' energy: -157.298 flat angles C4'-P-C4' energy: -167.740 flat angles P-C4'-P energy: -120.797 tors. eta vs tors. theta energy: -245.380 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: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2661.246304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.246304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.246304 (E_RNA) where: Base-Base interactions energy: -1820.412 where: short stacking energy: -769.429 Base-Backbone interact. energy: 0.996 local terms energy: -841.830854 where: bonds (distance) C4'-P energy: -169.944 bonds (distance) P-C4' energy: -175.032 flat angles C4'-P-C4' energy: -174.194 flat angles P-C4'-P energy: -109.966 tors. eta vs tors. theta energy: -212.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2532.023808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.023808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.023808 (E_RNA) where: Base-Base interactions energy: -1694.543 where: short stacking energy: -739.016 Base-Backbone interact. energy: 1.298 local terms energy: -838.778800 where: bonds (distance) C4'-P energy: -157.985 bonds (distance) P-C4' energy: -153.764 flat angles C4'-P-C4' energy: -176.889 flat angles P-C4'-P energy: -134.049 tors. eta vs tors. theta energy: -216.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2314.244191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.244191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.244191 (E_RNA) where: Base-Base interactions energy: -1593.227 where: short stacking energy: -653.263 Base-Backbone interact. energy: -3.301 local terms energy: -717.715923 where: bonds (distance) C4'-P energy: -136.760 bonds (distance) P-C4' energy: -147.469 flat angles C4'-P-C4' energy: -164.013 flat angles P-C4'-P energy: -101.642 tors. eta vs tors. theta energy: -167.832 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: 163 Temperature: 1.100000 Total energy: -2227.865273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.865273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.865273 (E_RNA) where: Base-Base interactions energy: -1479.232 where: short stacking energy: -646.934 Base-Backbone interact. energy: -0.764 local terms energy: -747.869128 where: bonds (distance) C4'-P energy: -155.282 bonds (distance) P-C4' energy: -140.306 flat angles C4'-P-C4' energy: -152.704 flat angles P-C4'-P energy: -111.372 tors. eta vs tors. theta energy: -188.206 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: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2029.855583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.855583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.855583 (E_RNA) where: Base-Base interactions energy: -1332.259 where: short stacking energy: -627.110 Base-Backbone interact. energy: -0.883 local terms energy: -696.712723 where: bonds (distance) C4'-P energy: -138.841 bonds (distance) P-C4' energy: -139.207 flat angles C4'-P-C4' energy: -153.578 flat angles P-C4'-P energy: -101.386 tors. eta vs tors. theta energy: -163.701 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: 5 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1592.892909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.892909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.892909 (E_RNA) where: Base-Base interactions energy: -1005.126 where: short stacking energy: -473.325 Base-Backbone interact. energy: 1.488 local terms energy: -589.255346 where: bonds (distance) C4'-P energy: -140.283 bonds (distance) P-C4' energy: -144.132 flat angles C4'-P-C4' energy: -122.881 flat angles P-C4'-P energy: -94.683 tors. eta vs tors. theta energy: -87.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1280.364865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.364865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.364865 (E_RNA) where: Base-Base interactions energy: -731.560 where: short stacking energy: -334.224 Base-Backbone interact. energy: -3.335 local terms energy: -545.469508 where: bonds (distance) C4'-P energy: -140.996 bonds (distance) P-C4' energy: -153.058 flat angles C4'-P-C4' energy: -125.395 flat angles P-C4'-P energy: -70.820 tors. eta vs tors. theta energy: -55.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -883.876111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.876111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.876111 (E_RNA) where: Base-Base interactions energy: -414.696 where: short stacking energy: -253.708 Base-Backbone interact. energy: -0.917 local terms energy: -468.263952 where: bonds (distance) C4'-P energy: -149.681 bonds (distance) P-C4' energy: -146.729 flat angles C4'-P-C4' energy: -125.799 flat angles P-C4'-P energy: -53.650 tors. eta vs tors. theta energy: 7.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -731.180701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.180701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.180701 (E_RNA) where: Base-Base interactions energy: -312.679 where: short stacking energy: -205.168 Base-Backbone interact. energy: -2.376 local terms energy: -416.124843 where: bonds (distance) C4'-P energy: -137.732 bonds (distance) P-C4' energy: -125.933 flat angles C4'-P-C4' energy: -118.576 flat angles P-C4'-P energy: -57.693 tors. eta vs tors. theta energy: 23.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2770.693057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.693057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.693057 (E_RNA) where: Base-Base interactions energy: -1870.579 where: short stacking energy: -805.041 Base-Backbone interact. energy: -4.731 local terms energy: -895.382893 where: bonds (distance) C4'-P energy: -170.952 bonds (distance) P-C4' energy: -162.268 flat angles C4'-P-C4' energy: -196.352 flat angles P-C4'-P energy: -123.867 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: 2, replica: 6 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2648.355654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.355654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.355654 (E_RNA) where: Base-Base interactions energy: -1845.460 where: short stacking energy: -768.111 Base-Backbone interact. energy: -1.789 local terms energy: -801.105931 where: bonds (distance) C4'-P energy: -158.506 bonds (distance) P-C4' energy: -159.038 flat angles C4'-P-C4' energy: -159.548 flat angles P-C4'-P energy: -114.607 tors. eta vs tors. theta energy: -209.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2499.825881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.825881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.825881 (E_RNA) where: Base-Base interactions energy: -1670.492 where: short stacking energy: -733.465 Base-Backbone interact. energy: -4.077 local terms energy: -825.256522 where: bonds (distance) C4'-P energy: -142.574 bonds (distance) P-C4' energy: -155.730 flat angles C4'-P-C4' energy: -176.401 flat angles P-C4'-P energy: -139.068 tors. eta vs tors. theta energy: -211.483 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: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2387.719940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.719940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.719940 (E_RNA) where: Base-Base interactions energy: -1670.946 where: short stacking energy: -698.708 Base-Backbone interact. energy: 5.899 local terms energy: -722.672814 where: bonds (distance) C4'-P energy: -140.352 bonds (distance) P-C4' energy: -144.045 flat angles C4'-P-C4' energy: -162.035 flat angles P-C4'-P energy: -103.041 tors. eta vs tors. theta energy: -173.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2218.840522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.840522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.840522 (E_RNA) where: Base-Base interactions energy: -1469.553 where: short stacking energy: -669.181 Base-Backbone interact. energy: -0.520 local terms energy: -748.768175 where: bonds (distance) C4'-P energy: -136.011 bonds (distance) P-C4' energy: -165.777 flat angles C4'-P-C4' energy: -155.211 flat angles P-C4'-P energy: -109.595 tors. eta vs tors. theta energy: -182.173 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: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2050.798290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.798290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.798290 (E_RNA) where: Base-Base interactions energy: -1357.797 where: short stacking energy: -621.374 Base-Backbone interact. energy: 3.071 local terms energy: -696.072812 where: bonds (distance) C4'-P energy: -110.847 bonds (distance) P-C4' energy: -163.013 flat angles C4'-P-C4' energy: -152.854 flat angles P-C4'-P energy: -109.754 tors. eta vs tors. theta energy: -159.605 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: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1551.531651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.531651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.531651 (E_RNA) where: Base-Base interactions energy: -985.746 where: short stacking energy: -466.323 Base-Backbone interact. energy: -3.116 local terms energy: -562.669599 where: bonds (distance) C4'-P energy: -120.003 bonds (distance) P-C4' energy: -122.055 flat angles C4'-P-C4' energy: -141.019 flat angles P-C4'-P energy: -75.865 tors. eta vs tors. theta energy: -103.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1296.979801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.979801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.979801 (E_RNA) where: Base-Base interactions energy: -758.288 where: short stacking energy: -363.046 Base-Backbone interact. energy: 1.120 local terms energy: -539.812048 where: bonds (distance) C4'-P energy: -137.721 bonds (distance) P-C4' energy: -134.940 flat angles C4'-P-C4' energy: -131.074 flat angles P-C4'-P energy: -79.728 tors. eta vs tors. theta energy: -56.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -935.611867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.611867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.611867 (E_RNA) where: Base-Base interactions energy: -427.272 where: short stacking energy: -260.935 Base-Backbone interact. energy: -3.752 local terms energy: -504.587816 where: bonds (distance) C4'-P energy: -132.908 bonds (distance) P-C4' energy: -154.236 flat angles C4'-P-C4' energy: -132.774 flat angles P-C4'-P energy: -73.347 tors. eta vs tors. theta energy: -11.323 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: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -708.633997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.633997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.633997 (E_RNA) where: Base-Base interactions energy: -330.606 where: short stacking energy: -207.385 Base-Backbone interact. energy: 5.652 local terms energy: -383.679744 where: bonds (distance) C4'-P energy: -133.004 bonds (distance) P-C4' energy: -139.909 flat angles C4'-P-C4' energy: -105.508 flat angles P-C4'-P energy: -38.525 tors. eta vs tors. theta energy: 33.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2779.881656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.881656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.881656 (E_RNA) where: Base-Base interactions energy: -1878.438 where: short stacking energy: -825.152 Base-Backbone interact. energy: -3.968 local terms energy: -897.475727 where: bonds (distance) C4'-P energy: -174.980 bonds (distance) P-C4' energy: -164.445 flat angles C4'-P-C4' energy: -192.131 flat angles P-C4'-P energy: -124.104 tors. eta vs tors. theta energy: -241.815 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: 165 Temperature: 0.950000 Total energy: -2659.682338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.682338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.682338 (E_RNA) where: Base-Base interactions energy: -1807.779 where: short stacking energy: -762.045 Base-Backbone interact. energy: -4.063 local terms energy: -847.840831 where: bonds (distance) C4'-P energy: -153.228 bonds (distance) P-C4' energy: -171.978 flat angles C4'-P-C4' energy: -199.759 flat angles P-C4'-P energy: -115.128 tors. eta vs tors. theta energy: -207.747 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: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2460.680283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.680283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.680283 (E_RNA) where: Base-Base interactions energy: -1657.010 where: short stacking energy: -725.909 Base-Backbone interact. energy: 0.428 local terms energy: -804.097998 where: bonds (distance) C4'-P energy: -166.970 bonds (distance) P-C4' energy: -164.936 flat angles C4'-P-C4' energy: -155.443 flat angles P-C4'-P energy: -101.860 tors. eta vs tors. theta energy: -214.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2333.068515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.068515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.068515 (E_RNA) where: Base-Base interactions energy: -1602.504 where: short stacking energy: -628.409 Base-Backbone interact. energy: 2.103 local terms energy: -732.667452 where: bonds (distance) C4'-P energy: -147.984 bonds (distance) P-C4' energy: -170.151 flat angles C4'-P-C4' energy: -163.173 flat angles P-C4'-P energy: -107.637 tors. eta vs tors. theta energy: -143.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2210.447151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.447151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.447151 (E_RNA) where: Base-Base interactions energy: -1457.308 where: short stacking energy: -644.575 Base-Backbone interact. energy: -0.963 local terms energy: -752.175915 where: bonds (distance) C4'-P energy: -139.495 bonds (distance) P-C4' energy: -171.755 flat angles C4'-P-C4' energy: -150.889 flat angles P-C4'-P energy: -109.284 tors. eta vs tors. theta energy: -180.754 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: 165 Temperature: 1.150000 Total energy: -2063.713457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.713457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.713457 (E_RNA) where: Base-Base interactions energy: -1354.433 where: short stacking energy: -575.603 Base-Backbone interact. energy: 1.445 local terms energy: -710.725469 where: bonds (distance) C4'-P energy: -150.915 bonds (distance) P-C4' energy: -153.444 flat angles C4'-P-C4' energy: -160.554 flat angles P-C4'-P energy: -99.046 tors. eta vs tors. theta energy: -146.767 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: 165 Temperature: 1.200000 Total energy: -1600.745245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.745245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.745245 (E_RNA) where: Base-Base interactions energy: -991.585 where: short stacking energy: -453.119 Base-Backbone interact. energy: -0.108 local terms energy: -609.051722 where: bonds (distance) C4'-P energy: -119.647 bonds (distance) P-C4' energy: -157.250 flat angles C4'-P-C4' energy: -149.660 flat angles P-C4'-P energy: -84.552 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: 8, replica: 3 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1288.529377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.529377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.529377 (E_RNA) where: Base-Base interactions energy: -759.500 where: short stacking energy: -362.082 Base-Backbone interact. energy: -0.475 local terms energy: -528.554882 where: bonds (distance) C4'-P energy: -134.902 bonds (distance) P-C4' energy: -129.842 flat angles C4'-P-C4' energy: -128.666 flat angles P-C4'-P energy: -89.208 tors. eta vs tors. theta energy: -45.937 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: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -861.684469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.684469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.684469 (E_RNA) where: Base-Base interactions energy: -381.243 where: short stacking energy: -231.427 Base-Backbone interact. energy: 4.744 local terms energy: -485.184668 where: bonds (distance) C4'-P energy: -134.107 bonds (distance) P-C4' energy: -150.689 flat angles C4'-P-C4' energy: -113.674 flat angles P-C4'-P energy: -94.083 tors. eta vs tors. theta energy: 7.368 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: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -702.084479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.084479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.084479 (E_RNA) where: Base-Base interactions energy: -276.002 where: short stacking energy: -206.663 Base-Backbone interact. energy: -0.344 local terms energy: -425.739128 where: bonds (distance) C4'-P energy: -128.342 bonds (distance) P-C4' energy: -134.117 flat angles C4'-P-C4' energy: -129.567 flat angles P-C4'-P energy: -59.327 tors. eta vs tors. theta energy: 25.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2803.816604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.816604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.816604 (E_RNA) where: Base-Base interactions energy: -1925.557 where: short stacking energy: -826.576 Base-Backbone interact. energy: -5.144 local terms energy: -873.115729 where: bonds (distance) C4'-P energy: -149.254 bonds (distance) P-C4' energy: -168.448 flat angles C4'-P-C4' energy: -190.482 flat angles P-C4'-P energy: -123.958 tors. eta vs tors. theta energy: -240.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2668.827036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.827036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.827036 (E_RNA) where: Base-Base interactions energy: -1854.117 where: short stacking energy: -780.235 Base-Backbone interact. energy: -7.278 local terms energy: -807.432027 where: bonds (distance) C4'-P energy: -161.275 bonds (distance) P-C4' energy: -153.395 flat angles C4'-P-C4' energy: -171.015 flat angles P-C4'-P energy: -117.435 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: 3, replica: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2489.612586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.612586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.612586 (E_RNA) where: Base-Base interactions energy: -1694.863 where: short stacking energy: -705.228 Base-Backbone interact. energy: -2.134 local terms energy: -792.615650 where: bonds (distance) C4'-P energy: -149.006 bonds (distance) P-C4' energy: -156.115 flat angles C4'-P-C4' energy: -162.210 flat angles P-C4'-P energy: -113.976 tors. eta vs tors. theta energy: -211.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2341.216509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.216509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.216509 (E_RNA) where: Base-Base interactions energy: -1588.518 where: short stacking energy: -676.466 Base-Backbone interact. energy: 5.353 local terms energy: -758.051338 where: bonds (distance) C4'-P energy: -161.294 bonds (distance) P-C4' energy: -150.006 flat angles C4'-P-C4' energy: -166.124 flat angles P-C4'-P energy: -114.882 tors. eta vs tors. theta energy: -165.746 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: 166 Temperature: 1.100000 Total energy: -2180.296463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.296463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.296463 (E_RNA) where: Base-Base interactions energy: -1446.708 where: short stacking energy: -645.835 Base-Backbone interact. energy: 1.413 local terms energy: -735.001082 where: bonds (distance) C4'-P energy: -142.658 bonds (distance) P-C4' energy: -139.538 flat angles C4'-P-C4' energy: -164.239 flat angles P-C4'-P energy: -106.909 tors. eta vs tors. theta energy: -181.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2011.769467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.769467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.769467 (E_RNA) where: Base-Base interactions energy: -1313.890 where: short stacking energy: -619.797 Base-Backbone interact. energy: -2.593 local terms energy: -695.285762 where: bonds (distance) C4'-P energy: -141.136 bonds (distance) P-C4' energy: -147.569 flat angles C4'-P-C4' energy: -160.361 flat angles P-C4'-P energy: -99.824 tors. eta vs tors. theta energy: -146.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1562.640784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.640784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.640784 (E_RNA) where: Base-Base interactions energy: -975.236 where: short stacking energy: -442.879 Base-Backbone interact. energy: 5.691 local terms energy: -593.095073 where: bonds (distance) C4'-P energy: -134.234 bonds (distance) P-C4' energy: -157.421 flat angles C4'-P-C4' energy: -126.514 flat angles P-C4'-P energy: -92.779 tors. eta vs tors. theta energy: -82.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1275.843753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.843753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.843753 (E_RNA) where: Base-Base interactions energy: -734.388 where: short stacking energy: -377.724 Base-Backbone interact. energy: 1.586 local terms energy: -543.041425 where: bonds (distance) C4'-P energy: -137.476 bonds (distance) P-C4' energy: -137.113 flat angles C4'-P-C4' energy: -132.767 flat angles P-C4'-P energy: -80.786 tors. eta vs tors. theta energy: -54.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -933.703958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.703958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.703958 (E_RNA) where: Base-Base interactions energy: -450.514 where: short stacking energy: -296.532 Base-Backbone interact. energy: 2.564 local terms energy: -485.754518 where: bonds (distance) C4'-P energy: -141.735 bonds (distance) P-C4' energy: -143.882 flat angles C4'-P-C4' energy: -131.770 flat angles P-C4'-P energy: -46.794 tors. eta vs tors. theta energy: -21.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -730.535823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.535823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.535823 (E_RNA) where: Base-Base interactions energy: -306.853 where: short stacking energy: -185.012 Base-Backbone interact. energy: -1.513 local terms energy: -422.169299 where: bonds (distance) C4'-P energy: -142.955 bonds (distance) P-C4' energy: -121.529 flat angles C4'-P-C4' energy: -107.119 flat angles P-C4'-P energy: -69.956 tors. eta vs tors. theta energy: 19.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2821.073045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.073045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.073045 (E_RNA) where: Base-Base interactions energy: -1935.311 where: short stacking energy: -845.848 Base-Backbone interact. energy: -3.420 local terms energy: -882.341695 where: bonds (distance) C4'-P energy: -163.077 bonds (distance) P-C4' energy: -173.064 flat angles C4'-P-C4' energy: -179.018 flat angles P-C4'-P energy: -116.320 tors. eta vs tors. theta energy: -250.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2659.356204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.356204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.356204 (E_RNA) where: Base-Base interactions energy: -1834.698 where: short stacking energy: -755.522 Base-Backbone interact. energy: -4.507 local terms energy: -820.151200 where: bonds (distance) C4'-P energy: -176.047 bonds (distance) P-C4' energy: -164.808 flat angles C4'-P-C4' energy: -181.886 flat angles P-C4'-P energy: -96.065 tors. eta vs tors. theta energy: -201.346 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: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2519.770336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.770336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.770336 (E_RNA) where: Base-Base interactions energy: -1704.164 where: short stacking energy: -709.189 Base-Backbone interact. energy: -1.597 local terms energy: -814.009373 where: bonds (distance) C4'-P energy: -144.656 bonds (distance) P-C4' energy: -180.252 flat angles C4'-P-C4' energy: -171.125 flat angles P-C4'-P energy: -111.661 tors. eta vs tors. theta energy: -206.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2358.700459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.700459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.700459 (E_RNA) where: Base-Base interactions energy: -1628.131 where: short stacking energy: -625.512 Base-Backbone interact. energy: -6.708 local terms energy: -723.861623 where: bonds (distance) C4'-P energy: -159.736 bonds (distance) P-C4' energy: -154.529 flat angles C4'-P-C4' energy: -160.925 flat angles P-C4'-P energy: -91.940 tors. eta vs tors. theta energy: -156.732 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: 167 Temperature: 1.100000 Total energy: -2184.438347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.438347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.438347 (E_RNA) where: Base-Base interactions energy: -1446.852 where: short stacking energy: -637.758 Base-Backbone interact. energy: 5.884 local terms energy: -743.470597 where: bonds (distance) C4'-P energy: -170.492 bonds (distance) P-C4' energy: -140.494 flat angles C4'-P-C4' energy: -165.903 flat angles P-C4'-P energy: -99.852 tors. eta vs tors. theta energy: -166.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2037.462112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.462112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.462112 (E_RNA) where: Base-Base interactions energy: -1329.952 where: short stacking energy: -585.451 Base-Backbone interact. energy: 0.192 local terms energy: -707.702842 where: bonds (distance) C4'-P energy: -144.990 bonds (distance) P-C4' energy: -157.849 flat angles C4'-P-C4' energy: -155.736 flat angles P-C4'-P energy: -101.021 tors. eta vs tors. theta energy: -148.107 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: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1531.841007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.841007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.841007 (E_RNA) where: Base-Base interactions energy: -926.476 where: short stacking energy: -451.507 Base-Backbone interact. energy: -3.183 local terms energy: -602.182460 where: bonds (distance) C4'-P energy: -147.006 bonds (distance) P-C4' energy: -144.499 flat angles C4'-P-C4' energy: -140.505 flat angles P-C4'-P energy: -71.821 tors. eta vs tors. theta energy: -98.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1304.085868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.085868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.085868 (E_RNA) where: Base-Base interactions energy: -748.251 where: short stacking energy: -376.426 Base-Backbone interact. energy: 3.828 local terms energy: -559.663254 where: bonds (distance) C4'-P energy: -132.250 bonds (distance) P-C4' energy: -136.056 flat angles C4'-P-C4' energy: -150.597 flat angles P-C4'-P energy: -77.394 tors. eta vs tors. theta energy: -63.366 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: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -888.316718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.316718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.316718 (E_RNA) where: Base-Base interactions energy: -436.827 where: short stacking energy: -260.730 Base-Backbone interact. energy: 1.498 local terms energy: -452.988075 where: bonds (distance) C4'-P energy: -122.383 bonds (distance) P-C4' energy: -132.959 flat angles C4'-P-C4' energy: -132.665 flat angles P-C4'-P energy: -52.033 tors. eta vs tors. theta energy: -12.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -761.222407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.222407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.222407 (E_RNA) where: Base-Base interactions energy: -348.057 where: short stacking energy: -198.214 Base-Backbone interact. energy: 5.382 local terms energy: -418.546933 where: bonds (distance) C4'-P energy: -132.296 bonds (distance) P-C4' energy: -145.922 flat angles C4'-P-C4' energy: -112.346 flat angles P-C4'-P energy: -50.036 tors. eta vs tors. theta energy: 22.052 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: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2794.884015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.884015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.884015 (E_RNA) where: Base-Base interactions energy: -1924.985 where: short stacking energy: -804.193 Base-Backbone interact. energy: -6.015 local terms energy: -863.884552 where: bonds (distance) C4'-P energy: -159.227 bonds (distance) P-C4' energy: -159.518 flat angles C4'-P-C4' energy: -196.009 flat angles P-C4'-P energy: -116.333 tors. eta vs tors. theta energy: -232.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2692.971986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.971986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.971986 (E_RNA) where: Base-Base interactions energy: -1857.402 where: short stacking energy: -782.467 Base-Backbone interact. energy: -1.544 local terms energy: -834.026570 where: bonds (distance) C4'-P energy: -137.360 bonds (distance) P-C4' energy: -160.632 flat angles C4'-P-C4' energy: -181.641 flat angles P-C4'-P energy: -132.063 tors. eta vs tors. theta energy: -222.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2516.575122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.575122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.575122 (E_RNA) where: Base-Base interactions energy: -1709.244 where: short stacking energy: -718.582 Base-Backbone interact. energy: -4.592 local terms energy: -802.739119 where: bonds (distance) C4'-P energy: -164.510 bonds (distance) P-C4' energy: -153.003 flat angles C4'-P-C4' energy: -181.471 flat angles P-C4'-P energy: -102.712 tors. eta vs tors. theta energy: -201.044 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: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2358.875868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.875868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.875868 (E_RNA) where: Base-Base interactions energy: -1625.043 where: short stacking energy: -663.353 Base-Backbone interact. energy: 5.904 local terms energy: -739.736861 where: bonds (distance) C4'-P energy: -144.944 bonds (distance) P-C4' energy: -155.437 flat angles C4'-P-C4' energy: -161.655 flat angles P-C4'-P energy: -109.255 tors. eta vs tors. theta energy: -168.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2195.973669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.973669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.973669 (E_RNA) where: Base-Base interactions energy: -1454.888 where: short stacking energy: -661.614 Base-Backbone interact. energy: -1.517 local terms energy: -739.568898 where: bonds (distance) C4'-P energy: -136.829 bonds (distance) P-C4' energy: -139.165 flat angles C4'-P-C4' energy: -165.108 flat angles P-C4'-P energy: -113.655 tors. eta vs tors. theta energy: -184.812 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: 6, replica: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2051.271490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.271490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.271490 (E_RNA) where: Base-Base interactions energy: -1346.756 where: short stacking energy: -582.811 Base-Backbone interact. energy: -1.010 local terms energy: -703.506329 where: bonds (distance) C4'-P energy: -150.638 bonds (distance) P-C4' energy: -144.212 flat angles C4'-P-C4' energy: -165.959 flat angles P-C4'-P energy: -92.697 tors. eta vs tors. theta energy: -150.000 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: 168 Temperature: 1.200000 Total energy: -1550.748766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.748766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.748766 (E_RNA) where: Base-Base interactions energy: -967.410 where: short stacking energy: -461.588 Base-Backbone interact. energy: 11.955 local terms energy: -595.293448 where: bonds (distance) C4'-P energy: -141.990 bonds (distance) P-C4' energy: -144.914 flat angles C4'-P-C4' energy: -148.836 flat angles P-C4'-P energy: -62.254 tors. eta vs tors. theta energy: -97.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1334.502224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.502224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.502224 (E_RNA) where: Base-Base interactions energy: -761.450 where: short stacking energy: -371.579 Base-Backbone interact. energy: 2.998 local terms energy: -576.049793 where: bonds (distance) C4'-P energy: -142.980 bonds (distance) P-C4' energy: -153.119 flat angles C4'-P-C4' energy: -136.119 flat angles P-C4'-P energy: -95.847 tors. eta vs tors. theta energy: -47.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -853.442845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.442845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.442845 (E_RNA) where: Base-Base interactions energy: -365.142 where: short stacking energy: -234.844 Base-Backbone interact. energy: -1.643 local terms energy: -486.657588 where: bonds (distance) C4'-P energy: -131.108 bonds (distance) P-C4' energy: -145.661 flat angles C4'-P-C4' energy: -129.051 flat angles P-C4'-P energy: -72.714 tors. eta vs tors. theta energy: -8.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -728.010082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.010082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.010082 (E_RNA) where: Base-Base interactions energy: -313.878 where: short stacking energy: -205.176 Base-Backbone interact. energy: 17.787 local terms energy: -431.919077 where: bonds (distance) C4'-P energy: -130.318 bonds (distance) P-C4' energy: -139.587 flat angles C4'-P-C4' energy: -109.565 flat angles P-C4'-P energy: -80.757 tors. eta vs tors. theta energy: 28.309 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: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2771.980245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.980245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.980245 (E_RNA) where: Base-Base interactions energy: -1901.963 where: short stacking energy: -825.762 Base-Backbone interact. energy: -4.170 local terms energy: -865.847343 where: bonds (distance) C4'-P energy: -162.656 bonds (distance) P-C4' energy: -165.513 flat angles C4'-P-C4' energy: -179.729 flat angles P-C4'-P energy: -120.218 tors. eta vs tors. theta energy: -237.732 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: 169 Temperature: 0.950000 Total energy: -2649.964936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.964936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.964936 (E_RNA) where: Base-Base interactions energy: -1779.963 where: short stacking energy: -748.673 Base-Backbone interact. energy: -1.045 local terms energy: -868.956954 where: bonds (distance) C4'-P energy: -167.723 bonds (distance) P-C4' energy: -171.593 flat angles C4'-P-C4' energy: -187.575 flat angles P-C4'-P energy: -124.830 tors. eta vs tors. theta energy: -217.236 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: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2500.820822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.820822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.820822 (E_RNA) where: Base-Base interactions energy: -1695.440 where: short stacking energy: -730.422 Base-Backbone interact. energy: -2.485 local terms energy: -802.895604 where: bonds (distance) C4'-P energy: -169.546 bonds (distance) P-C4' energy: -160.059 flat angles C4'-P-C4' energy: -161.007 flat angles P-C4'-P energy: -100.638 tors. eta vs tors. theta energy: -211.646 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: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2334.608754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.608754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.608754 (E_RNA) where: Base-Base interactions energy: -1550.255 where: short stacking energy: -647.487 Base-Backbone interact. energy: -7.027 local terms energy: -777.326275 where: bonds (distance) C4'-P energy: -153.613 bonds (distance) P-C4' energy: -168.889 flat angles C4'-P-C4' energy: -166.621 flat angles P-C4'-P energy: -117.472 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: 169 Temperature: 1.100000 Total energy: -2221.653001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.653001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.653001 (E_RNA) where: Base-Base interactions energy: -1469.599 where: short stacking energy: -694.178 Base-Backbone interact. energy: -4.593 local terms energy: -747.461964 where: bonds (distance) C4'-P energy: -137.087 bonds (distance) P-C4' energy: -148.557 flat angles C4'-P-C4' energy: -160.335 flat angles P-C4'-P energy: -107.317 tors. eta vs tors. theta energy: -194.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2052.354290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.354290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.354290 (E_RNA) where: Base-Base interactions energy: -1356.651 where: short stacking energy: -567.016 Base-Backbone interact. energy: 3.448 local terms energy: -699.151193 where: bonds (distance) C4'-P energy: -151.937 bonds (distance) P-C4' energy: -150.653 flat angles C4'-P-C4' energy: -147.601 flat angles P-C4'-P energy: -98.663 tors. eta vs tors. theta energy: -150.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1564.995184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.995184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.995184 (E_RNA) where: Base-Base interactions energy: -997.261 where: short stacking energy: -432.068 Base-Backbone interact. energy: 6.888 local terms energy: -574.622452 where: bonds (distance) C4'-P energy: -137.974 bonds (distance) P-C4' energy: -132.727 flat angles C4'-P-C4' energy: -145.290 flat angles P-C4'-P energy: -81.553 tors. eta vs tors. theta energy: -77.078 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: 169 Temperature: 1.250000 Total energy: -1318.716077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.716077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.716077 (E_RNA) where: Base-Base interactions energy: -775.568 where: short stacking energy: -403.233 Base-Backbone interact. energy: 2.232 local terms energy: -545.379993 where: bonds (distance) C4'-P energy: -133.672 bonds (distance) P-C4' energy: -145.710 flat angles C4'-P-C4' energy: -124.916 flat angles P-C4'-P energy: -82.544 tors. eta vs tors. theta energy: -58.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -967.081979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.081979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.081979 (E_RNA) where: Base-Base interactions energy: -507.567 where: short stacking energy: -286.942 Base-Backbone interact. energy: -0.520 local terms energy: -458.994685 where: bonds (distance) C4'-P energy: -123.622 bonds (distance) P-C4' energy: -110.268 flat angles C4'-P-C4' energy: -140.029 flat angles P-C4'-P energy: -75.814 tors. eta vs tors. theta energy: -9.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -711.111555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.111555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.111555 (E_RNA) where: Base-Base interactions energy: -348.380 where: short stacking energy: -206.822 Base-Backbone interact. energy: 0.957 local terms energy: -363.688505 where: bonds (distance) C4'-P energy: -123.177 bonds (distance) P-C4' energy: -143.194 flat angles C4'-P-C4' energy: -96.447 flat angles P-C4'-P energy: -30.674 tors. eta vs tors. theta energy: 29.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2789.931373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.931373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.931373 (E_RNA) where: Base-Base interactions energy: -1912.147 where: short stacking energy: -806.340 Base-Backbone interact. energy: -7.247 local terms energy: -870.537302 where: bonds (distance) C4'-P energy: -163.072 bonds (distance) P-C4' energy: -162.438 flat angles C4'-P-C4' energy: -190.018 flat angles P-C4'-P energy: -113.993 tors. eta vs tors. theta energy: -241.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2673.269532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.269532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.269532 (E_RNA) where: Base-Base interactions energy: -1822.010 where: short stacking energy: -771.083 Base-Backbone interact. energy: -1.006 local terms energy: -850.253052 where: bonds (distance) C4'-P energy: -172.336 bonds (distance) P-C4' energy: -164.515 flat angles C4'-P-C4' energy: -182.141 flat angles P-C4'-P energy: -112.629 tors. eta vs tors. theta energy: -218.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2492.066201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.066201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.066201 (E_RNA) where: Base-Base interactions energy: -1684.947 where: short stacking energy: -737.778 Base-Backbone interact. energy: -4.749 local terms energy: -802.370011 where: bonds (distance) C4'-P energy: -158.076 bonds (distance) P-C4' energy: -142.229 flat angles C4'-P-C4' energy: -187.161 flat angles P-C4'-P energy: -109.043 tors. eta vs tors. theta energy: -205.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2307.666279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.666279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.666279 (E_RNA) where: Base-Base interactions energy: -1537.837 where: short stacking energy: -644.463 Base-Backbone interact. energy: -5.127 local terms energy: -764.701994 where: bonds (distance) C4'-P energy: -152.135 bonds (distance) P-C4' energy: -164.421 flat angles C4'-P-C4' energy: -168.057 flat angles P-C4'-P energy: -119.049 tors. eta vs tors. theta energy: -161.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2238.281157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.281157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.281157 (E_RNA) where: Base-Base interactions energy: -1479.077 where: short stacking energy: -640.816 Base-Backbone interact. energy: -5.761 local terms energy: -753.443347 where: bonds (distance) C4'-P energy: -152.048 bonds (distance) P-C4' energy: -159.244 flat angles C4'-P-C4' energy: -164.391 flat angles P-C4'-P energy: -102.159 tors. eta vs tors. theta energy: -175.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2010.014790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.014790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.014790 (E_RNA) where: Base-Base interactions energy: -1327.957 where: short stacking energy: -571.183 Base-Backbone interact. energy: -2.306 local terms energy: -679.751249 where: bonds (distance) C4'-P energy: -141.405 bonds (distance) P-C4' energy: -158.245 flat angles C4'-P-C4' energy: -149.367 flat angles P-C4'-P energy: -92.709 tors. eta vs tors. theta energy: -138.025 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: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1672.120498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.120498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.120498 (E_RNA) where: Base-Base interactions energy: -1056.767 where: short stacking energy: -469.449 Base-Backbone interact. energy: 8.100 local terms energy: -623.452915 where: bonds (distance) C4'-P energy: -139.842 bonds (distance) P-C4' energy: -136.043 flat angles C4'-P-C4' energy: -159.339 flat angles P-C4'-P energy: -93.371 tors. eta vs tors. theta energy: -94.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1311.829617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.829617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.829617 (E_RNA) where: Base-Base interactions energy: -757.598 where: short stacking energy: -372.309 Base-Backbone interact. energy: 0.478 local terms energy: -554.709471 where: bonds (distance) C4'-P energy: -144.273 bonds (distance) P-C4' energy: -152.290 flat angles C4'-P-C4' energy: -128.581 flat angles P-C4'-P energy: -78.849 tors. eta vs tors. theta energy: -50.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1002.671741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.671741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.671741 (E_RNA) where: Base-Base interactions energy: -528.468 where: short stacking energy: -308.594 Base-Backbone interact. energy: -0.235 local terms energy: -473.968846 where: bonds (distance) C4'-P energy: -134.714 bonds (distance) P-C4' energy: -119.342 flat angles C4'-P-C4' energy: -119.244 flat angles P-C4'-P energy: -67.584 tors. eta vs tors. theta energy: -33.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -702.689301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.689301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.689301 (E_RNA) where: Base-Base interactions energy: -287.161 where: short stacking energy: -196.117 Base-Backbone interact. energy: 1.375 local terms energy: -416.903617 where: bonds (distance) C4'-P energy: -119.775 bonds (distance) P-C4' energy: -149.232 flat angles C4'-P-C4' energy: -101.734 flat angles P-C4'-P energy: -71.679 tors. eta vs tors. theta energy: 25.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2806.780877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.780877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.780877 (E_RNA) where: Base-Base interactions energy: -1933.224 where: short stacking energy: -831.203 Base-Backbone interact. energy: -2.572 local terms energy: -870.985681 where: bonds (distance) C4'-P energy: -158.540 bonds (distance) P-C4' energy: -160.983 flat angles C4'-P-C4' energy: -194.126 flat angles P-C4'-P energy: -119.495 tors. eta vs tors. theta energy: -237.841 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: 171 Temperature: 0.950000 Total energy: -2632.325244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.325244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.325244 (E_RNA) where: Base-Base interactions energy: -1802.523 where: short stacking energy: -751.496 Base-Backbone interact. energy: -3.395 local terms energy: -826.407676 where: bonds (distance) C4'-P energy: -158.721 bonds (distance) P-C4' energy: -148.342 flat angles C4'-P-C4' energy: -181.306 flat angles P-C4'-P energy: -130.280 tors. eta vs tors. theta energy: -207.759 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: 7 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2522.291986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.291986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.291986 (E_RNA) where: Base-Base interactions energy: -1706.686 where: short stacking energy: -716.384 Base-Backbone interact. energy: -0.622 local terms energy: -814.983254 where: bonds (distance) C4'-P energy: -157.628 bonds (distance) P-C4' energy: -166.918 flat angles C4'-P-C4' energy: -176.203 flat angles P-C4'-P energy: -99.543 tors. eta vs tors. theta energy: -214.692 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: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2368.536846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.536846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.536846 (E_RNA) where: Base-Base interactions energy: -1630.423 where: short stacking energy: -679.592 Base-Backbone interact. energy: -1.688 local terms energy: -736.426521 where: bonds (distance) C4'-P energy: -143.375 bonds (distance) P-C4' energy: -122.872 flat angles C4'-P-C4' energy: -181.435 flat angles P-C4'-P energy: -103.327 tors. eta vs tors. theta energy: -185.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2245.831214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.831214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.831214 (E_RNA) where: Base-Base interactions energy: -1494.598 where: short stacking energy: -674.917 Base-Backbone interact. energy: -0.689 local terms energy: -750.544982 where: bonds (distance) C4'-P energy: -159.569 bonds (distance) P-C4' energy: -134.333 flat angles C4'-P-C4' energy: -170.466 flat angles P-C4'-P energy: -107.352 tors. eta vs tors. theta energy: -178.825 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: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2067.243326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.243326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.243326 (E_RNA) where: Base-Base interactions energy: -1348.975 where: short stacking energy: -592.806 Base-Backbone interact. energy: -3.507 local terms energy: -714.761299 where: bonds (distance) C4'-P energy: -134.955 bonds (distance) P-C4' energy: -148.464 flat angles C4'-P-C4' energy: -175.910 flat angles P-C4'-P energy: -104.408 tors. eta vs tors. theta energy: -151.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1676.632862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.632862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.632862 (E_RNA) where: Base-Base interactions energy: -1042.730 where: short stacking energy: -477.719 Base-Backbone interact. energy: -4.088 local terms energy: -629.815404 where: bonds (distance) C4'-P energy: -142.853 bonds (distance) P-C4' energy: -135.781 flat angles C4'-P-C4' energy: -149.123 flat angles P-C4'-P energy: -88.481 tors. eta vs tors. theta energy: -113.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1294.839381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.839381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.839381 (E_RNA) where: Base-Base interactions energy: -754.035 where: short stacking energy: -359.264 Base-Backbone interact. energy: -3.542 local terms energy: -537.262452 where: bonds (distance) C4'-P energy: -120.095 bonds (distance) P-C4' energy: -165.948 flat angles C4'-P-C4' energy: -141.295 flat angles P-C4'-P energy: -68.346 tors. eta vs tors. theta energy: -41.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1020.773646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.773646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.773646 (E_RNA) where: Base-Base interactions energy: -522.337 where: short stacking energy: -284.752 Base-Backbone interact. energy: 2.959 local terms energy: -501.395066 where: bonds (distance) C4'-P energy: -129.786 bonds (distance) P-C4' energy: -144.171 flat angles C4'-P-C4' energy: -121.859 flat angles P-C4'-P energy: -80.303 tors. eta vs tors. theta energy: -25.276 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: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -713.625725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.625725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.625725 (E_RNA) where: Base-Base interactions energy: -298.570 where: short stacking energy: -190.399 Base-Backbone interact. energy: -6.493 local terms energy: -408.562233 where: bonds (distance) C4'-P energy: -135.079 bonds (distance) P-C4' energy: -139.743 flat angles C4'-P-C4' energy: -117.166 flat angles P-C4'-P energy: -64.915 tors. eta vs tors. theta energy: 48.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2799.232526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.232526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.232526 (E_RNA) where: Base-Base interactions energy: -1902.722 where: short stacking energy: -818.210 Base-Backbone interact. energy: -3.120 local terms energy: -893.390652 where: bonds (distance) C4'-P energy: -163.187 bonds (distance) P-C4' energy: -173.409 flat angles C4'-P-C4' energy: -195.515 flat angles P-C4'-P energy: -117.379 tors. eta vs tors. theta energy: -243.900 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: 172 Temperature: 0.950000 Total energy: -2703.395861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.395861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.395861 (E_RNA) where: Base-Base interactions energy: -1868.188 where: short stacking energy: -785.370 Base-Backbone interact. energy: -5.880 local terms energy: -829.328279 where: bonds (distance) C4'-P energy: -160.440 bonds (distance) P-C4' energy: -141.887 flat angles C4'-P-C4' energy: -184.109 flat angles P-C4'-P energy: -113.636 tors. eta vs tors. theta energy: -229.257 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: 3, replica: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2517.049983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.049983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.049983 (E_RNA) where: Base-Base interactions energy: -1710.568 where: short stacking energy: -703.524 Base-Backbone interact. energy: 0.755 local terms energy: -807.237901 where: bonds (distance) C4'-P energy: -154.914 bonds (distance) P-C4' energy: -163.345 flat angles C4'-P-C4' energy: -177.546 flat angles P-C4'-P energy: -105.481 tors. eta vs tors. theta energy: -205.952 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: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2344.624559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.624559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.624559 (E_RNA) where: Base-Base interactions energy: -1580.671 where: short stacking energy: -673.967 Base-Backbone interact. energy: -3.568 local terms energy: -760.385842 where: bonds (distance) C4'-P energy: -158.471 bonds (distance) P-C4' energy: -148.097 flat angles C4'-P-C4' energy: -174.051 flat angles P-C4'-P energy: -108.743 tors. eta vs tors. theta energy: -171.024 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: 172 Temperature: 1.100000 Total energy: -2212.026214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.026214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.026214 (E_RNA) where: Base-Base interactions energy: -1475.414 where: short stacking energy: -652.428 Base-Backbone interact. energy: 5.430 local terms energy: -742.042439 where: bonds (distance) C4'-P energy: -141.843 bonds (distance) P-C4' energy: -148.807 flat angles C4'-P-C4' energy: -164.442 flat angles P-C4'-P energy: -110.300 tors. eta vs tors. theta energy: -176.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2018.086130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.086130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.086130 (E_RNA) where: Base-Base interactions energy: -1329.900 where: short stacking energy: -581.967 Base-Backbone interact. energy: -0.510 local terms energy: -687.676638 where: bonds (distance) C4'-P energy: -126.091 bonds (distance) P-C4' energy: -153.190 flat angles C4'-P-C4' energy: -164.239 flat angles P-C4'-P energy: -99.008 tors. eta vs tors. theta energy: -145.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1644.573705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.573705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.573705 (E_RNA) where: Base-Base interactions energy: -1076.500 where: short stacking energy: -505.296 Base-Backbone interact. energy: -0.156 local terms energy: -567.918349 where: bonds (distance) C4'-P energy: -143.758 bonds (distance) P-C4' energy: -121.872 flat angles C4'-P-C4' energy: -122.159 flat angles P-C4'-P energy: -74.964 tors. eta vs tors. theta energy: -105.164 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: 172 Temperature: 1.250000 Total energy: -1381.998801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.998801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.998801 (E_RNA) where: Base-Base interactions energy: -829.480 where: short stacking energy: -388.832 Base-Backbone interact. energy: -3.608 local terms energy: -548.910753 where: bonds (distance) C4'-P energy: -138.992 bonds (distance) P-C4' energy: -140.315 flat angles C4'-P-C4' energy: -141.846 flat angles P-C4'-P energy: -88.027 tors. eta vs tors. theta energy: -39.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -998.730443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.730443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.730443 (E_RNA) where: Base-Base interactions energy: -552.690 where: short stacking energy: -284.917 Base-Backbone interact. energy: 5.086 local terms energy: -451.126774 where: bonds (distance) C4'-P energy: -137.687 bonds (distance) P-C4' energy: -127.636 flat angles C4'-P-C4' energy: -120.360 flat angles P-C4'-P energy: -64.751 tors. eta vs tors. theta energy: -0.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -674.756405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.756405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.756405 (E_RNA) where: Base-Base interactions energy: -261.015 where: short stacking energy: -163.187 Base-Backbone interact. energy: -4.856 local terms energy: -408.885254 where: bonds (distance) C4'-P energy: -130.561 bonds (distance) P-C4' energy: -121.312 flat angles C4'-P-C4' energy: -120.766 flat angles P-C4'-P energy: -74.745 tors. eta vs tors. theta energy: 38.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2786.258138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.258138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.258138 (E_RNA) where: Base-Base interactions energy: -1897.263 where: short stacking energy: -844.104 Base-Backbone interact. energy: -4.056 local terms energy: -884.939385 where: bonds (distance) C4'-P energy: -160.259 bonds (distance) P-C4' energy: -171.437 flat angles C4'-P-C4' energy: -192.207 flat angles P-C4'-P energy: -119.114 tors. eta vs tors. theta energy: -241.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2700.254237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.254237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.254237 (E_RNA) where: Base-Base interactions energy: -1838.874 where: short stacking energy: -769.309 Base-Backbone interact. energy: -2.230 local terms energy: -859.150297 where: bonds (distance) C4'-P energy: -157.233 bonds (distance) P-C4' energy: -171.819 flat angles C4'-P-C4' energy: -186.671 flat angles P-C4'-P energy: -116.982 tors. eta vs tors. theta energy: -226.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2523.350244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.350244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.350244 (E_RNA) where: Base-Base interactions energy: -1729.133 where: short stacking energy: -747.630 Base-Backbone interact. energy: -6.041 local terms energy: -788.176867 where: bonds (distance) C4'-P energy: -150.864 bonds (distance) P-C4' energy: -162.059 flat angles C4'-P-C4' energy: -173.824 flat angles P-C4'-P energy: -99.582 tors. eta vs tors. theta energy: -201.848 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: 4, replica: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2384.401601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.401601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.401601 (E_RNA) where: Base-Base interactions energy: -1632.578 where: short stacking energy: -707.194 Base-Backbone interact. energy: -2.733 local terms energy: -749.090750 where: bonds (distance) C4'-P energy: -151.982 bonds (distance) P-C4' energy: -136.951 flat angles C4'-P-C4' energy: -171.496 flat angles P-C4'-P energy: -109.497 tors. eta vs tors. theta energy: -179.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2182.178279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.178279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.178279 (E_RNA) where: Base-Base interactions energy: -1428.751 where: short stacking energy: -660.918 Base-Backbone interact. energy: 0.900 local terms energy: -754.327195 where: bonds (distance) C4'-P energy: -140.393 bonds (distance) P-C4' energy: -155.555 flat angles C4'-P-C4' energy: -171.966 flat angles P-C4'-P energy: -103.161 tors. eta vs tors. theta energy: -183.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2019.323570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.323570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.323570 (E_RNA) where: Base-Base interactions energy: -1324.164 where: short stacking energy: -585.096 Base-Backbone interact. energy: -3.280 local terms energy: -691.880076 where: bonds (distance) C4'-P energy: -153.543 bonds (distance) P-C4' energy: -147.612 flat angles C4'-P-C4' energy: -161.506 flat angles P-C4'-P energy: -85.609 tors. eta vs tors. theta energy: -143.609 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: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1674.422850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.422850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.422850 (E_RNA) where: Base-Base interactions energy: -1064.390 where: short stacking energy: -463.184 Base-Backbone interact. energy: 1.271 local terms energy: -611.304418 where: bonds (distance) C4'-P energy: -129.262 bonds (distance) P-C4' energy: -155.147 flat angles C4'-P-C4' energy: -149.341 flat angles P-C4'-P energy: -88.449 tors. eta vs tors. theta energy: -89.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1322.764096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.764096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.764096 (E_RNA) where: Base-Base interactions energy: -736.719 where: short stacking energy: -318.924 Base-Backbone interact. energy: 1.729 local terms energy: -587.774553 where: bonds (distance) C4'-P energy: -134.395 bonds (distance) P-C4' energy: -148.480 flat angles C4'-P-C4' energy: -152.339 flat angles P-C4'-P energy: -97.003 tors. eta vs tors. theta energy: -55.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1000.122202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.122202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.122202 (E_RNA) where: Base-Base interactions energy: -490.454 where: short stacking energy: -268.527 Base-Backbone interact. energy: -1.524 local terms energy: -508.144795 where: bonds (distance) C4'-P energy: -136.284 bonds (distance) P-C4' energy: -153.432 flat angles C4'-P-C4' energy: -141.133 flat angles P-C4'-P energy: -56.929 tors. eta vs tors. theta energy: -20.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -728.653319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.653319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.653319 (E_RNA) where: Base-Base interactions energy: -308.215 where: short stacking energy: -190.322 Base-Backbone interact. energy: -0.625 local terms energy: -419.813492 where: bonds (distance) C4'-P energy: -127.289 bonds (distance) P-C4' energy: -129.960 flat angles C4'-P-C4' energy: -120.124 flat angles P-C4'-P energy: -64.017 tors. eta vs tors. theta energy: 21.577 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: 9 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2811.252954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.252954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.252954 (E_RNA) where: Base-Base interactions energy: -1904.685 where: short stacking energy: -826.318 Base-Backbone interact. energy: -0.760 local terms energy: -905.808574 where: bonds (distance) C4'-P energy: -168.701 bonds (distance) P-C4' energy: -181.528 flat angles C4'-P-C4' energy: -188.651 flat angles P-C4'-P energy: -125.935 tors. eta vs tors. theta energy: -240.993 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: 2, replica: 6 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2671.677825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.677825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.677825 (E_RNA) where: Base-Base interactions energy: -1843.687 where: short stacking energy: -802.014 Base-Backbone interact. energy: 5.088 local terms energy: -833.079072 where: bonds (distance) C4'-P energy: -142.997 bonds (distance) P-C4' energy: -154.817 flat angles C4'-P-C4' energy: -191.180 flat angles P-C4'-P energy: -115.071 tors. eta vs tors. theta energy: -229.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2506.122207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.122207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.122207 (E_RNA) where: Base-Base interactions energy: -1719.070 where: short stacking energy: -723.721 Base-Backbone interact. energy: -2.007 local terms energy: -785.045083 where: bonds (distance) C4'-P energy: -155.642 bonds (distance) P-C4' energy: -153.851 flat angles C4'-P-C4' energy: -164.446 flat angles P-C4'-P energy: -103.472 tors. eta vs tors. theta energy: -207.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2363.933912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.933912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.933912 (E_RNA) where: Base-Base interactions energy: -1623.926 where: short stacking energy: -689.333 Base-Backbone interact. energy: -3.070 local terms energy: -736.937538 where: bonds (distance) C4'-P energy: -143.612 bonds (distance) P-C4' energy: -160.782 flat angles C4'-P-C4' energy: -166.578 flat angles P-C4'-P energy: -89.996 tors. eta vs tors. theta energy: -175.969 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: 174 Temperature: 1.100000 Total energy: -2192.542629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.542629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.542629 (E_RNA) where: Base-Base interactions energy: -1462.565 where: short stacking energy: -646.366 Base-Backbone interact. energy: -3.418 local terms energy: -726.559750 where: bonds (distance) C4'-P energy: -142.047 bonds (distance) P-C4' energy: -144.829 flat angles C4'-P-C4' energy: -150.895 flat angles P-C4'-P energy: -115.272 tors. eta vs tors. theta energy: -173.518 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: 174 Temperature: 1.150000 Total energy: -2022.478100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.478100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.478100 (E_RNA) where: Base-Base interactions energy: -1343.577 where: short stacking energy: -554.074 Base-Backbone interact. energy: 0.882 local terms energy: -679.783110 where: bonds (distance) C4'-P energy: -130.690 bonds (distance) P-C4' energy: -155.558 flat angles C4'-P-C4' energy: -154.755 flat angles P-C4'-P energy: -98.629 tors. eta vs tors. theta energy: -140.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1643.543408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.543408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.543408 (E_RNA) where: Base-Base interactions energy: -1037.532 where: short stacking energy: -464.660 Base-Backbone interact. energy: 1.592 local terms energy: -607.603107 where: bonds (distance) C4'-P energy: -151.681 bonds (distance) P-C4' energy: -129.780 flat angles C4'-P-C4' energy: -139.940 flat angles P-C4'-P energy: -99.219 tors. eta vs tors. theta energy: -86.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1238.540198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.540198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.540198 (E_RNA) where: Base-Base interactions energy: -700.675 where: short stacking energy: -355.266 Base-Backbone interact. energy: 0.437 local terms energy: -538.301962 where: bonds (distance) C4'-P energy: -127.591 bonds (distance) P-C4' energy: -155.432 flat angles C4'-P-C4' energy: -132.814 flat angles P-C4'-P energy: -93.144 tors. eta vs tors. theta energy: -29.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -979.206261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.206261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.206261 (E_RNA) where: Base-Base interactions energy: -543.458 where: short stacking energy: -273.923 Base-Backbone interact. energy: -2.783 local terms energy: -432.964893 where: bonds (distance) C4'-P energy: -122.154 bonds (distance) P-C4' energy: -133.784 flat angles C4'-P-C4' energy: -103.394 flat angles P-C4'-P energy: -63.847 tors. eta vs tors. theta energy: -9.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -803.837167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.837167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.837167 (E_RNA) where: Base-Base interactions energy: -363.026 where: short stacking energy: -234.792 Base-Backbone interact. energy: 0.601 local terms energy: -441.411982 where: bonds (distance) C4'-P energy: -108.137 bonds (distance) P-C4' energy: -137.414 flat angles C4'-P-C4' energy: -106.614 flat angles P-C4'-P energy: -86.314 tors. eta vs tors. theta energy: -2.933 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: 9 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2809.002378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.002378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.002378 (E_RNA) where: Base-Base interactions energy: -1909.512 where: short stacking energy: -837.192 Base-Backbone interact. energy: -2.724 local terms energy: -896.766488 where: bonds (distance) C4'-P energy: -161.579 bonds (distance) P-C4' energy: -162.551 flat angles C4'-P-C4' energy: -198.823 flat angles P-C4'-P energy: -129.693 tors. eta vs tors. theta energy: -244.121 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: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2720.745684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.745684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.745684 (E_RNA) where: Base-Base interactions energy: -1880.866 where: short stacking energy: -815.898 Base-Backbone interact. energy: -2.133 local terms energy: -837.746710 where: bonds (distance) C4'-P energy: -142.472 bonds (distance) P-C4' energy: -147.656 flat angles C4'-P-C4' energy: -183.607 flat angles P-C4'-P energy: -126.188 tors. eta vs tors. theta energy: -237.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2517.047993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.047993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.047993 (E_RNA) where: Base-Base interactions energy: -1710.486 where: short stacking energy: -729.032 Base-Backbone interact. energy: 4.808 local terms energy: -811.369233 where: bonds (distance) C4'-P energy: -165.486 bonds (distance) P-C4' energy: -141.481 flat angles C4'-P-C4' energy: -185.269 flat angles P-C4'-P energy: -104.534 tors. eta vs tors. theta energy: -214.599 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: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2294.412804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.412804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.412804 (E_RNA) where: Base-Base interactions energy: -1565.845 where: short stacking energy: -650.233 Base-Backbone interact. energy: 0.045 local terms energy: -728.612135 where: bonds (distance) C4'-P energy: -153.705 bonds (distance) P-C4' energy: -156.771 flat angles C4'-P-C4' energy: -145.087 flat angles P-C4'-P energy: -103.808 tors. eta vs tors. theta energy: -169.241 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: 2 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2143.654120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.654120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.654120 (E_RNA) where: Base-Base interactions energy: -1394.471 where: short stacking energy: -622.823 Base-Backbone interact. energy: -0.355 local terms energy: -748.828082 where: bonds (distance) C4'-P energy: -158.476 bonds (distance) P-C4' energy: -155.507 flat angles C4'-P-C4' energy: -149.100 flat angles P-C4'-P energy: -117.592 tors. eta vs tors. theta energy: -168.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2049.920787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.920787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.920787 (E_RNA) where: Base-Base interactions energy: -1349.696 where: short stacking energy: -623.895 Base-Backbone interact. energy: -0.675 local terms energy: -699.549957 where: bonds (distance) C4'-P energy: -143.894 bonds (distance) P-C4' energy: -130.888 flat angles C4'-P-C4' energy: -161.760 flat angles P-C4'-P energy: -99.790 tors. eta vs tors. theta energy: -163.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1569.885796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.885796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.885796 (E_RNA) where: Base-Base interactions energy: -954.174 where: short stacking energy: -439.698 Base-Backbone interact. energy: -3.517 local terms energy: -612.194463 where: bonds (distance) C4'-P energy: -146.155 bonds (distance) P-C4' energy: -126.625 flat angles C4'-P-C4' energy: -151.592 flat angles P-C4'-P energy: -93.962 tors. eta vs tors. theta energy: -93.861 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: 175 Temperature: 1.250000 Total energy: -1245.868217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.868217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.868217 (E_RNA) where: Base-Base interactions energy: -697.299 where: short stacking energy: -358.229 Base-Backbone interact. energy: 2.038 local terms energy: -550.606898 where: bonds (distance) C4'-P energy: -118.907 bonds (distance) P-C4' energy: -141.737 flat angles C4'-P-C4' energy: -143.141 flat angles P-C4'-P energy: -94.828 tors. eta vs tors. theta energy: -51.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1012.125848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.125848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.125848 (E_RNA) where: Base-Base interactions energy: -530.650 where: short stacking energy: -265.725 Base-Backbone interact. energy: 3.802 local terms energy: -485.278093 where: bonds (distance) C4'-P energy: -131.442 bonds (distance) P-C4' energy: -128.647 flat angles C4'-P-C4' energy: -129.222 flat angles P-C4'-P energy: -90.421 tors. eta vs tors. theta energy: -5.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -711.805992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.805992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.805992 (E_RNA) where: Base-Base interactions energy: -296.426 where: short stacking energy: -186.489 Base-Backbone interact. energy: -0.465 local terms energy: -414.914729 where: bonds (distance) C4'-P energy: -104.550 bonds (distance) P-C4' energy: -141.615 flat angles C4'-P-C4' energy: -144.090 flat angles P-C4'-P energy: -54.284 tors. eta vs tors. theta energy: 29.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2767.687094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.687094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.687094 (E_RNA) where: Base-Base interactions energy: -1899.075 where: short stacking energy: -842.286 Base-Backbone interact. energy: -1.060 local terms energy: -867.552562 where: bonds (distance) C4'-P energy: -158.435 bonds (distance) P-C4' energy: -168.141 flat angles C4'-P-C4' energy: -183.433 flat angles P-C4'-P energy: -117.887 tors. eta vs tors. theta energy: -239.657 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: 6 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2695.859996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.859996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.859996 (E_RNA) where: Base-Base interactions energy: -1848.995 where: short stacking energy: -794.281 Base-Backbone interact. energy: -2.712 local terms energy: -844.152990 where: bonds (distance) C4'-P energy: -160.657 bonds (distance) P-C4' energy: -149.214 flat angles C4'-P-C4' energy: -183.341 flat angles P-C4'-P energy: -123.535 tors. eta vs tors. theta energy: -227.407 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: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2536.991460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.991460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.991460 (E_RNA) where: Base-Base interactions energy: -1713.548 where: short stacking energy: -745.537 Base-Backbone interact. energy: -0.114 local terms energy: -823.329726 where: bonds (distance) C4'-P energy: -160.395 bonds (distance) P-C4' energy: -159.628 flat angles C4'-P-C4' energy: -168.033 flat angles P-C4'-P energy: -113.906 tors. eta vs tors. theta energy: -221.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2334.290528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.290528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.290528 (E_RNA) where: Base-Base interactions energy: -1574.264 where: short stacking energy: -675.625 Base-Backbone interact. energy: -0.831 local terms energy: -759.196282 where: bonds (distance) C4'-P energy: -144.473 bonds (distance) P-C4' energy: -162.773 flat angles C4'-P-C4' energy: -167.796 flat angles P-C4'-P energy: -102.111 tors. eta vs tors. theta energy: -182.043 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: 176 Temperature: 1.100000 Total energy: -2184.651379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.651379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.651379 (E_RNA) where: Base-Base interactions energy: -1435.794 where: short stacking energy: -629.674 Base-Backbone interact. energy: 0.607 local terms energy: -749.464151 where: bonds (distance) C4'-P energy: -154.888 bonds (distance) P-C4' energy: -150.901 flat angles C4'-P-C4' energy: -164.905 flat angles P-C4'-P energy: -102.431 tors. eta vs tors. theta energy: -176.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2017.398989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.398989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.398989 (E_RNA) where: Base-Base interactions energy: -1335.810 where: short stacking energy: -594.565 Base-Backbone interact. energy: -3.985 local terms energy: -677.603929 where: bonds (distance) C4'-P energy: -135.083 bonds (distance) P-C4' energy: -133.362 flat angles C4'-P-C4' energy: -155.670 flat angles P-C4'-P energy: -104.049 tors. eta vs tors. theta energy: -149.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1542.390473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.390473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.390473 (E_RNA) where: Base-Base interactions energy: -964.073 where: short stacking energy: -444.861 Base-Backbone interact. energy: -2.799 local terms energy: -575.518129 where: bonds (distance) C4'-P energy: -144.139 bonds (distance) P-C4' energy: -124.985 flat angles C4'-P-C4' energy: -140.166 flat angles P-C4'-P energy: -81.633 tors. eta vs tors. theta energy: -84.595 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: 176 Temperature: 1.250000 Total energy: -1116.831640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.831640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.831640 (E_RNA) where: Base-Base interactions energy: -623.174 where: short stacking energy: -328.745 Base-Backbone interact. energy: 1.704 local terms energy: -495.361360 where: bonds (distance) C4'-P energy: -134.366 bonds (distance) P-C4' energy: -135.528 flat angles C4'-P-C4' energy: -131.589 flat angles P-C4'-P energy: -73.460 tors. eta vs tors. theta energy: -20.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1012.863235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.863235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.863235 (E_RNA) where: Base-Base interactions energy: -535.356 where: short stacking energy: -300.931 Base-Backbone interact. energy: -0.932 local terms energy: -476.575445 where: bonds (distance) C4'-P energy: -147.118 bonds (distance) P-C4' energy: -132.088 flat angles C4'-P-C4' energy: -116.021 flat angles P-C4'-P energy: -45.763 tors. eta vs tors. theta energy: -35.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -748.060326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.060326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.060326 (E_RNA) where: Base-Base interactions energy: -321.264 where: short stacking energy: -203.298 Base-Backbone interact. energy: -0.026 local terms energy: -426.770499 where: bonds (distance) C4'-P energy: -135.828 bonds (distance) P-C4' energy: -122.029 flat angles C4'-P-C4' energy: -114.842 flat angles P-C4'-P energy: -71.086 tors. eta vs tors. theta energy: 17.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2811.474868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.474868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.474868 (E_RNA) where: Base-Base interactions energy: -1920.159 where: short stacking energy: -807.503 Base-Backbone interact. energy: -0.613 local terms energy: -890.702035 where: bonds (distance) C4'-P energy: -167.394 bonds (distance) P-C4' energy: -168.224 flat angles C4'-P-C4' energy: -192.489 flat angles P-C4'-P energy: -124.261 tors. eta vs tors. theta energy: -238.334 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: 177 Temperature: 0.950000 Total energy: -2735.966572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.966572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.966572 (E_RNA) where: Base-Base interactions energy: -1872.279 where: short stacking energy: -789.980 Base-Backbone interact. energy: -1.660 local terms energy: -862.027431 where: bonds (distance) C4'-P energy: -158.450 bonds (distance) P-C4' energy: -179.888 flat angles C4'-P-C4' energy: -184.864 flat angles P-C4'-P energy: -117.696 tors. eta vs tors. theta energy: -221.129 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: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2503.666846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.666846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.666846 (E_RNA) where: Base-Base interactions energy: -1672.493 where: short stacking energy: -733.303 Base-Backbone interact. energy: -0.160 local terms energy: -831.014201 where: bonds (distance) C4'-P energy: -151.759 bonds (distance) P-C4' energy: -174.324 flat angles C4'-P-C4' energy: -175.411 flat angles P-C4'-P energy: -114.283 tors. eta vs tors. theta energy: -215.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2347.925645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.925645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.925645 (E_RNA) where: Base-Base interactions energy: -1574.569 where: short stacking energy: -688.468 Base-Backbone interact. energy: 4.361 local terms energy: -777.718027 where: bonds (distance) C4'-P energy: -154.586 bonds (distance) P-C4' energy: -151.081 flat angles C4'-P-C4' energy: -173.990 flat angles P-C4'-P energy: -113.583 tors. eta vs tors. theta energy: -184.477 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: 177 Temperature: 1.100000 Total energy: -2142.439739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.439739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.439739 (E_RNA) where: Base-Base interactions energy: -1387.270 where: short stacking energy: -632.939 Base-Backbone interact. energy: 0.966 local terms energy: -756.136319 where: bonds (distance) C4'-P energy: -140.425 bonds (distance) P-C4' energy: -151.748 flat angles C4'-P-C4' energy: -163.502 flat angles P-C4'-P energy: -101.360 tors. eta vs tors. theta energy: -199.103 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: 177 Temperature: 1.150000 Total energy: -2062.934108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.934108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.934108 (E_RNA) where: Base-Base interactions energy: -1374.617 where: short stacking energy: -577.086 Base-Backbone interact. energy: -4.143 local terms energy: -684.174834 where: bonds (distance) C4'-P energy: -145.346 bonds (distance) P-C4' energy: -138.284 flat angles C4'-P-C4' energy: -157.673 flat angles P-C4'-P energy: -79.039 tors. eta vs tors. theta energy: -163.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1619.224529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.224529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.224529 (E_RNA) where: Base-Base interactions energy: -1019.772 where: short stacking energy: -456.707 Base-Backbone interact. energy: -1.027 local terms energy: -598.425065 where: bonds (distance) C4'-P energy: -123.916 bonds (distance) P-C4' energy: -149.101 flat angles C4'-P-C4' energy: -129.532 flat angles P-C4'-P energy: -92.360 tors. eta vs tors. theta energy: -103.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1063.959546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.959546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.959546 (E_RNA) where: Base-Base interactions energy: -621.003 where: short stacking energy: -327.867 Base-Backbone interact. energy: 4.962 local terms energy: -447.918891 where: bonds (distance) C4'-P energy: -116.576 bonds (distance) P-C4' energy: -132.918 flat angles C4'-P-C4' energy: -122.943 flat angles P-C4'-P energy: -53.851 tors. eta vs tors. theta energy: -21.630 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: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1100.794518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.794518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.794518 (E_RNA) where: Base-Base interactions energy: -616.228 where: short stacking energy: -292.290 Base-Backbone interact. energy: -2.029 local terms energy: -482.537577 where: bonds (distance) C4'-P energy: -138.269 bonds (distance) P-C4' energy: -129.553 flat angles C4'-P-C4' energy: -116.533 flat angles P-C4'-P energy: -94.345 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -775.525485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.525485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.525485 (E_RNA) where: Base-Base interactions energy: -349.949 where: short stacking energy: -212.197 Base-Backbone interact. energy: -0.637 local terms energy: -424.939851 where: bonds (distance) C4'-P energy: -123.672 bonds (distance) P-C4' energy: -140.058 flat angles C4'-P-C4' energy: -111.466 flat angles P-C4'-P energy: -70.886 tors. eta vs tors. theta energy: 21.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2784.211486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.211486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.211486 (E_RNA) where: Base-Base interactions energy: -1898.534 where: short stacking energy: -820.346 Base-Backbone interact. energy: -4.464 local terms energy: -881.213377 where: bonds (distance) C4'-P energy: -159.265 bonds (distance) P-C4' energy: -168.424 flat angles C4'-P-C4' energy: -188.802 flat angles P-C4'-P energy: -126.091 tors. eta vs tors. theta energy: -238.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2717.577448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.577448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.577448 (E_RNA) where: Base-Base interactions energy: -1834.923 where: short stacking energy: -793.738 Base-Backbone interact. energy: -2.039 local terms energy: -880.614808 where: bonds (distance) C4'-P energy: -168.924 bonds (distance) P-C4' energy: -178.756 flat angles C4'-P-C4' energy: -178.137 flat angles P-C4'-P energy: -118.492 tors. eta vs tors. theta energy: -236.305 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: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2520.739443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.739443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.739443 (E_RNA) where: Base-Base interactions energy: -1696.684 where: short stacking energy: -713.245 Base-Backbone interact. energy: 2.435 local terms energy: -826.491153 where: bonds (distance) C4'-P energy: -171.328 bonds (distance) P-C4' energy: -169.129 flat angles C4'-P-C4' energy: -176.630 flat angles P-C4'-P energy: -99.314 tors. eta vs tors. theta energy: -210.090 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: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2334.918563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.918563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.918563 (E_RNA) where: Base-Base interactions energy: -1557.695 where: short stacking energy: -707.913 Base-Backbone interact. energy: 1.844 local terms energy: -779.067528 where: bonds (distance) C4'-P energy: -156.670 bonds (distance) P-C4' energy: -151.398 flat angles C4'-P-C4' energy: -171.679 flat angles P-C4'-P energy: -104.870 tors. eta vs tors. theta energy: -194.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2113.671035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.671035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.671035 (E_RNA) where: Base-Base interactions energy: -1386.750 where: short stacking energy: -631.409 Base-Backbone interact. energy: -4.225 local terms energy: -722.696726 where: bonds (distance) C4'-P energy: -148.809 bonds (distance) P-C4' energy: -162.992 flat angles C4'-P-C4' energy: -153.961 flat angles P-C4'-P energy: -85.970 tors. eta vs tors. theta energy: -170.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2082.929030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.929030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.929030 (E_RNA) where: Base-Base interactions energy: -1352.039 where: short stacking energy: -583.318 Base-Backbone interact. energy: -0.105 local terms energy: -730.784568 where: bonds (distance) C4'-P energy: -145.977 bonds (distance) P-C4' energy: -156.765 flat angles C4'-P-C4' energy: -163.001 flat angles P-C4'-P energy: -107.009 tors. eta vs tors. theta energy: -158.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1622.027665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.027665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.027665 (E_RNA) where: Base-Base interactions energy: -1006.812 where: short stacking energy: -471.335 Base-Backbone interact. energy: 1.779 local terms energy: -616.994300 where: bonds (distance) C4'-P energy: -136.842 bonds (distance) P-C4' energy: -158.265 flat angles C4'-P-C4' energy: -140.046 flat angles P-C4'-P energy: -86.214 tors. eta vs tors. theta energy: -95.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1041.502372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.502372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.502372 (E_RNA) where: Base-Base interactions energy: -550.749 where: short stacking energy: -273.396 Base-Backbone interact. energy: -1.462 local terms energy: -489.290737 where: bonds (distance) C4'-P energy: -125.808 bonds (distance) P-C4' energy: -166.314 flat angles C4'-P-C4' energy: -129.785 flat angles P-C4'-P energy: -77.683 tors. eta vs tors. theta energy: 10.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1036.004022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.004022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.004022 (E_RNA) where: Base-Base interactions energy: -556.670 where: short stacking energy: -299.575 Base-Backbone interact. energy: -3.426 local terms energy: -475.908064 where: bonds (distance) C4'-P energy: -131.931 bonds (distance) P-C4' energy: -136.713 flat angles C4'-P-C4' energy: -123.601 flat angles P-C4'-P energy: -61.552 tors. eta vs tors. theta energy: -22.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -763.074325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.074325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.074325 (E_RNA) where: Base-Base interactions energy: -354.390 where: short stacking energy: -240.893 Base-Backbone interact. energy: 0.218 local terms energy: -408.902204 where: bonds (distance) C4'-P energy: -126.855 bonds (distance) P-C4' energy: -140.366 flat angles C4'-P-C4' energy: -103.406 flat angles P-C4'-P energy: -63.242 tors. eta vs tors. theta energy: 24.968 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: 9 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2792.161623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.161623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.161623 (E_RNA) where: Base-Base interactions energy: -1896.650 where: short stacking energy: -794.637 Base-Backbone interact. energy: -1.170 local terms energy: -894.341365 where: bonds (distance) C4'-P energy: -177.403 bonds (distance) P-C4' energy: -166.945 flat angles C4'-P-C4' energy: -193.914 flat angles P-C4'-P energy: -113.570 tors. eta vs tors. theta energy: -242.509 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: 2, replica: 6 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2695.858356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.858356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.858356 (E_RNA) where: Base-Base interactions energy: -1857.860 where: short stacking energy: -791.931 Base-Backbone interact. energy: -3.807 local terms energy: -834.190627 where: bonds (distance) C4'-P energy: -166.637 bonds (distance) P-C4' energy: -143.007 flat angles C4'-P-C4' energy: -181.789 flat angles P-C4'-P energy: -121.561 tors. eta vs tors. theta energy: -221.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2523.540969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.540969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.540969 (E_RNA) where: Base-Base interactions energy: -1718.490 where: short stacking energy: -713.782 Base-Backbone interact. energy: 0.730 local terms energy: -805.781159 where: bonds (distance) C4'-P energy: -162.490 bonds (distance) P-C4' energy: -148.979 flat angles C4'-P-C4' energy: -174.566 flat angles P-C4'-P energy: -107.758 tors. eta vs tors. theta energy: -211.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2313.600603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.600603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.600603 (E_RNA) where: Base-Base interactions energy: -1568.316 where: short stacking energy: -704.422 Base-Backbone interact. energy: 0.780 local terms energy: -746.064756 where: bonds (distance) C4'-P energy: -144.269 bonds (distance) P-C4' energy: -153.612 flat angles C4'-P-C4' energy: -156.128 flat angles P-C4'-P energy: -101.666 tors. eta vs tors. theta energy: -190.389 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: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2148.451663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.451663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.451663 (E_RNA) where: Base-Base interactions energy: -1428.758 where: short stacking energy: -629.997 Base-Backbone interact. energy: -3.397 local terms energy: -716.296685 where: bonds (distance) C4'-P energy: -139.890 bonds (distance) P-C4' energy: -156.836 flat angles C4'-P-C4' energy: -154.246 flat angles P-C4'-P energy: -94.286 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: 6, replica: 4 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2137.139126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.139126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.139126 (E_RNA) where: Base-Base interactions energy: -1427.785 where: short stacking energy: -651.194 Base-Backbone interact. energy: -0.522 local terms energy: -708.831716 where: bonds (distance) C4'-P energy: -128.729 bonds (distance) P-C4' energy: -155.181 flat angles C4'-P-C4' energy: -145.746 flat angles P-C4'-P energy: -98.593 tors. eta vs tors. theta energy: -180.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1596.646914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.646914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.646914 (E_RNA) where: Base-Base interactions energy: -977.612 where: short stacking energy: -473.619 Base-Backbone interact. energy: -1.702 local terms energy: -617.333262 where: bonds (distance) C4'-P energy: -121.440 bonds (distance) P-C4' energy: -144.953 flat angles C4'-P-C4' energy: -150.230 flat angles P-C4'-P energy: -86.742 tors. eta vs tors. theta energy: -113.969 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: 3 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1062.798922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.798922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.798922 (E_RNA) where: Base-Base interactions energy: -600.702 where: short stacking energy: -306.020 Base-Backbone interact. energy: 2.283 local terms energy: -464.380204 where: bonds (distance) C4'-P energy: -100.208 bonds (distance) P-C4' energy: -145.964 flat angles C4'-P-C4' energy: -136.671 flat angles P-C4'-P energy: -78.008 tors. eta vs tors. theta energy: -3.529 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: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -970.937919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.937919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.937919 (E_RNA) where: Base-Base interactions energy: -508.203 where: short stacking energy: -269.504 Base-Backbone interact. energy: -3.534 local terms energy: -459.200277 where: bonds (distance) C4'-P energy: -104.937 bonds (distance) P-C4' energy: -144.012 flat angles C4'-P-C4' energy: -130.363 flat angles P-C4'-P energy: -80.551 tors. eta vs tors. theta energy: 0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -714.797873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.797873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.797873 (E_RNA) where: Base-Base interactions energy: -295.593 where: short stacking energy: -209.550 Base-Backbone interact. energy: -2.283 local terms energy: -416.921597 where: bonds (distance) C4'-P energy: -138.745 bonds (distance) P-C4' energy: -127.658 flat angles C4'-P-C4' energy: -103.995 flat angles P-C4'-P energy: -68.831 tors. eta vs tors. theta energy: 22.309 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: 9 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2793.686256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.686256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.686256 (E_RNA) where: Base-Base interactions energy: -1908.837 where: short stacking energy: -839.858 Base-Backbone interact. energy: -2.047 local terms energy: -882.802295 where: bonds (distance) C4'-P energy: -161.351 bonds (distance) P-C4' energy: -174.376 flat angles C4'-P-C4' energy: -185.057 flat angles P-C4'-P energy: -118.347 tors. eta vs tors. theta energy: -243.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2696.111831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.111831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.111831 (E_RNA) where: Base-Base interactions energy: -1849.389 where: short stacking energy: -798.864 Base-Backbone interact. energy: -2.129 local terms energy: -844.593183 where: bonds (distance) C4'-P energy: -157.277 bonds (distance) P-C4' energy: -167.119 flat angles C4'-P-C4' energy: -171.457 flat angles P-C4'-P energy: -119.924 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: 3, replica: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2539.000931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.000931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.000931 (E_RNA) where: Base-Base interactions energy: -1743.820 where: short stacking energy: -738.358 Base-Backbone interact. energy: -1.152 local terms energy: -794.028409 where: bonds (distance) C4'-P energy: -161.642 bonds (distance) P-C4' energy: -146.206 flat angles C4'-P-C4' energy: -176.225 flat angles P-C4'-P energy: -111.407 tors. eta vs tors. theta energy: -198.549 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: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2309.371092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.371092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.371092 (E_RNA) where: Base-Base interactions energy: -1539.193 where: short stacking energy: -681.817 Base-Backbone interact. energy: -5.769 local terms energy: -764.409242 where: bonds (distance) C4'-P energy: -121.117 bonds (distance) P-C4' energy: -168.498 flat angles C4'-P-C4' energy: -162.296 flat angles P-C4'-P energy: -121.428 tors. eta vs tors. theta energy: -191.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2103.890222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.890222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.890222 (E_RNA) where: Base-Base interactions energy: -1366.417 where: short stacking energy: -629.215 Base-Backbone interact. energy: -1.494 local terms energy: -735.979074 where: bonds (distance) C4'-P energy: -127.094 bonds (distance) P-C4' energy: -146.916 flat angles C4'-P-C4' energy: -174.493 flat angles P-C4'-P energy: -108.595 tors. eta vs tors. theta energy: -178.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2094.170226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.170226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.170226 (E_RNA) where: Base-Base interactions energy: -1371.753 where: short stacking energy: -588.321 Base-Backbone interact. energy: -0.838 local terms energy: -721.578794 where: bonds (distance) C4'-P energy: -143.758 bonds (distance) P-C4' energy: -141.533 flat angles C4'-P-C4' energy: -158.989 flat angles P-C4'-P energy: -111.286 tors. eta vs tors. theta energy: -166.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1619.815942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.815942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.815942 (E_RNA) where: Base-Base interactions energy: -1011.021 where: short stacking energy: -459.209 Base-Backbone interact. energy: -0.582 local terms energy: -608.212992 where: bonds (distance) C4'-P energy: -132.530 bonds (distance) P-C4' energy: -148.618 flat angles C4'-P-C4' energy: -148.874 flat angles P-C4'-P energy: -95.629 tors. eta vs tors. theta energy: -82.562 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: 3 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1135.318285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.318285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.318285 (E_RNA) where: Base-Base interactions energy: -608.194 where: short stacking energy: -327.443 Base-Backbone interact. energy: -2.792 local terms energy: -524.332916 where: bonds (distance) C4'-P energy: -127.511 bonds (distance) P-C4' energy: -156.082 flat angles C4'-P-C4' energy: -125.822 flat angles P-C4'-P energy: -64.778 tors. eta vs tors. theta energy: -50.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1017.373630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.373630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.373630 (E_RNA) where: Base-Base interactions energy: -520.701 where: short stacking energy: -288.426 Base-Backbone interact. energy: -2.808 local terms energy: -493.864824 where: bonds (distance) C4'-P energy: -133.588 bonds (distance) P-C4' energy: -134.022 flat angles C4'-P-C4' energy: -118.260 flat angles P-C4'-P energy: -82.226 tors. eta vs tors. theta energy: -25.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -712.612062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.612062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.612062 (E_RNA) where: Base-Base interactions energy: -316.130 where: short stacking energy: -190.763 Base-Backbone interact. energy: -2.469 local terms energy: -394.012466 where: bonds (distance) C4'-P energy: -120.282 bonds (distance) P-C4' energy: -128.531 flat angles C4'-P-C4' energy: -110.779 flat angles P-C4'-P energy: -58.217 tors. eta vs tors. theta energy: 23.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2765.219953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.219953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.219953 (E_RNA) where: Base-Base interactions energy: -1845.132 where: short stacking energy: -822.908 Base-Backbone interact. energy: -4.258 local terms energy: -915.829572 where: bonds (distance) C4'-P energy: -169.167 bonds (distance) P-C4' energy: -159.837 flat angles C4'-P-C4' energy: -194.087 flat angles P-C4'-P energy: -141.101 tors. eta vs tors. theta energy: -251.638 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: 181 Temperature: 0.950000 Total energy: -2680.170390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.170390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.170390 (E_RNA) where: Base-Base interactions energy: -1837.368 where: short stacking energy: -781.709 Base-Backbone interact. energy: -0.838 local terms energy: -841.965042 where: bonds (distance) C4'-P energy: -143.011 bonds (distance) P-C4' energy: -167.847 flat angles C4'-P-C4' energy: -178.567 flat angles P-C4'-P energy: -123.788 tors. eta vs tors. theta energy: -228.752 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: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2528.682040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.682040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.682040 (E_RNA) where: Base-Base interactions energy: -1719.277 where: short stacking energy: -713.758 Base-Backbone interact. energy: -0.094 local terms energy: -809.311019 where: bonds (distance) C4'-P energy: -151.519 bonds (distance) P-C4' energy: -165.579 flat angles C4'-P-C4' energy: -172.659 flat angles P-C4'-P energy: -114.341 tors. eta vs tors. theta energy: -205.214 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: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2379.315691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.315691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.315691 (E_RNA) where: Base-Base interactions energy: -1596.150 where: short stacking energy: -689.674 Base-Backbone interact. energy: -3.806 local terms energy: -779.359799 where: bonds (distance) C4'-P energy: -144.941 bonds (distance) P-C4' energy: -157.589 flat angles C4'-P-C4' energy: -171.320 flat angles P-C4'-P energy: -112.858 tors. eta vs tors. theta energy: -192.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2038.412905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.412905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.412905 (E_RNA) where: Base-Base interactions energy: -1329.417 where: short stacking energy: -639.158 Base-Backbone interact. energy: -2.040 local terms energy: -706.956037 where: bonds (distance) C4'-P energy: -141.942 bonds (distance) P-C4' energy: -142.797 flat angles C4'-P-C4' energy: -156.524 flat angles P-C4'-P energy: -100.718 tors. eta vs tors. theta energy: -164.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2056.551868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.551868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.551868 (E_RNA) where: Base-Base interactions energy: -1364.532 where: short stacking energy: -594.340 Base-Backbone interact. energy: -0.030 local terms energy: -691.990163 where: bonds (distance) C4'-P energy: -143.142 bonds (distance) P-C4' energy: -144.247 flat angles C4'-P-C4' energy: -152.815 flat angles P-C4'-P energy: -85.724 tors. eta vs tors. theta energy: -166.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1637.698531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.698531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.698531 (E_RNA) where: Base-Base interactions energy: -1048.707 where: short stacking energy: -449.977 Base-Backbone interact. energy: -0.001 local terms energy: -588.990366 where: bonds (distance) C4'-P energy: -140.925 bonds (distance) P-C4' energy: -145.378 flat angles C4'-P-C4' energy: -148.733 flat angles P-C4'-P energy: -76.587 tors. eta vs tors. theta energy: -77.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1120.192051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.192051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.192051 (E_RNA) where: Base-Base interactions energy: -594.638 where: short stacking energy: -313.379 Base-Backbone interact. energy: 0.753 local terms energy: -526.307068 where: bonds (distance) C4'-P energy: -138.494 bonds (distance) P-C4' energy: -136.249 flat angles C4'-P-C4' energy: -151.784 flat angles P-C4'-P energy: -75.076 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: 9, replica: 3 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -977.283384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.283384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.283384 (E_RNA) where: Base-Base interactions energy: -516.317 where: short stacking energy: -285.672 Base-Backbone interact. energy: 3.827 local terms energy: -464.793472 where: bonds (distance) C4'-P energy: -135.800 bonds (distance) P-C4' energy: -128.624 flat angles C4'-P-C4' energy: -113.589 flat angles P-C4'-P energy: -78.158 tors. eta vs tors. theta energy: -8.623 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: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -709.051136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.051136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.051136 (E_RNA) where: Base-Base interactions energy: -322.108 where: short stacking energy: -204.354 Base-Backbone interact. energy: 6.212 local terms energy: -393.154624 where: bonds (distance) C4'-P energy: -134.485 bonds (distance) P-C4' energy: -125.881 flat angles C4'-P-C4' energy: -106.867 flat angles P-C4'-P energy: -72.430 tors. eta vs tors. theta energy: 46.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2754.451521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.451521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.451521 (E_RNA) where: Base-Base interactions energy: -1889.024 where: short stacking energy: -788.096 Base-Backbone interact. energy: 0.132 local terms energy: -865.558872 where: bonds (distance) C4'-P energy: -159.501 bonds (distance) P-C4' energy: -171.734 flat angles C4'-P-C4' energy: -178.537 flat angles P-C4'-P energy: -122.498 tors. eta vs tors. theta energy: -233.288 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: 6 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2685.071479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.071479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.071479 (E_RNA) where: Base-Base interactions energy: -1853.081 where: short stacking energy: -787.977 Base-Backbone interact. energy: 1.578 local terms energy: -833.568470 where: bonds (distance) C4'-P energy: -172.282 bonds (distance) P-C4' energy: -157.774 flat angles C4'-P-C4' energy: -179.221 flat angles P-C4'-P energy: -116.261 tors. eta vs tors. theta energy: -208.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2528.013256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.013256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.013256 (E_RNA) where: Base-Base interactions energy: -1688.953 where: short stacking energy: -762.519 Base-Backbone interact. energy: -3.306 local terms energy: -835.753858 where: bonds (distance) C4'-P energy: -156.506 bonds (distance) P-C4' energy: -163.913 flat angles C4'-P-C4' energy: -181.832 flat angles P-C4'-P energy: -118.196 tors. eta vs tors. theta energy: -215.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2338.872767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.872767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.872767 (E_RNA) where: Base-Base interactions energy: -1607.367 where: short stacking energy: -673.990 Base-Backbone interact. energy: -3.648 local terms energy: -727.857699 where: bonds (distance) C4'-P energy: -136.525 bonds (distance) P-C4' energy: -152.851 flat angles C4'-P-C4' energy: -167.002 flat angles P-C4'-P energy: -98.852 tors. eta vs tors. theta energy: -172.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2211.830310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.830310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.830310 (E_RNA) where: Base-Base interactions energy: -1478.848 where: short stacking energy: -658.710 Base-Backbone interact. energy: 2.436 local terms energy: -735.418398 where: bonds (distance) C4'-P energy: -143.899 bonds (distance) P-C4' energy: -130.595 flat angles C4'-P-C4' energy: -176.108 flat angles P-C4'-P energy: -98.073 tors. eta vs tors. theta energy: -186.743 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: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2113.714045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.714045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.714045 (E_RNA) where: Base-Base interactions energy: -1413.773 where: short stacking energy: -608.302 Base-Backbone interact. energy: 1.623 local terms energy: -701.564342 where: bonds (distance) C4'-P energy: -130.783 bonds (distance) P-C4' energy: -142.729 flat angles C4'-P-C4' energy: -167.252 flat angles P-C4'-P energy: -107.776 tors. eta vs tors. theta energy: -153.025 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: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1662.135563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.135563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.135563 (E_RNA) where: Base-Base interactions energy: -1060.392 where: short stacking energy: -472.613 Base-Backbone interact. energy: 1.191 local terms energy: -602.934861 where: bonds (distance) C4'-P energy: -139.687 bonds (distance) P-C4' energy: -114.013 flat angles C4'-P-C4' energy: -152.077 flat angles P-C4'-P energy: -94.516 tors. eta vs tors. theta energy: -102.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1162.825991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.825991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.825991 (E_RNA) where: Base-Base interactions energy: -627.943 where: short stacking energy: -331.387 Base-Backbone interact. energy: -1.074 local terms energy: -533.809004 where: bonds (distance) C4'-P energy: -132.429 bonds (distance) P-C4' energy: -140.390 flat angles C4'-P-C4' energy: -120.504 flat angles P-C4'-P energy: -87.358 tors. eta vs tors. theta energy: -53.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -930.861537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.861537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.861537 (E_RNA) where: Base-Base interactions energy: -494.405 where: short stacking energy: -258.718 Base-Backbone interact. energy: 0.960 local terms energy: -437.417326 where: bonds (distance) C4'-P energy: -134.060 bonds (distance) P-C4' energy: -131.454 flat angles C4'-P-C4' energy: -107.264 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: 4.370 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: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -730.154938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.154938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.154938 (E_RNA) where: Base-Base interactions energy: -300.361 where: short stacking energy: -226.520 Base-Backbone interact. energy: -0.532 local terms energy: -429.261739 where: bonds (distance) C4'-P energy: -150.637 bonds (distance) P-C4' energy: -135.414 flat angles C4'-P-C4' energy: -106.074 flat angles P-C4'-P energy: -54.368 tors. eta vs tors. theta energy: 17.232 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: 1, replica: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2755.772189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.772189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.772189 (E_RNA) where: Base-Base interactions energy: -1871.004 where: short stacking energy: -822.717 Base-Backbone interact. energy: -5.864 local terms energy: -878.904280 where: bonds (distance) C4'-P energy: -161.765 bonds (distance) P-C4' energy: -158.936 flat angles C4'-P-C4' energy: -195.855 flat angles P-C4'-P energy: -133.505 tors. eta vs tors. theta energy: -228.845 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: 183 Temperature: 0.950000 Total energy: -2639.803924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.803924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.803924 (E_RNA) where: Base-Base interactions energy: -1813.009 where: short stacking energy: -760.066 Base-Backbone interact. energy: -3.750 local terms energy: -823.045375 where: bonds (distance) C4'-P energy: -145.255 bonds (distance) P-C4' energy: -158.614 flat angles C4'-P-C4' energy: -183.572 flat angles P-C4'-P energy: -125.714 tors. eta vs tors. theta energy: -209.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2545.377424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.377424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.377424 (E_RNA) where: Base-Base interactions energy: -1699.456 where: short stacking energy: -751.635 Base-Backbone interact. energy: -2.821 local terms energy: -843.099672 where: bonds (distance) C4'-P energy: -155.558 bonds (distance) P-C4' energy: -155.534 flat angles C4'-P-C4' energy: -195.058 flat angles P-C4'-P energy: -117.666 tors. eta vs tors. theta energy: -219.284 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: 183 Temperature: 1.050000 Total energy: -2310.618088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.618088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.618088 (E_RNA) where: Base-Base interactions energy: -1510.663 where: short stacking energy: -694.702 Base-Backbone interact. energy: -1.024 local terms energy: -798.931180 where: bonds (distance) C4'-P energy: -146.033 bonds (distance) P-C4' energy: -154.181 flat angles C4'-P-C4' energy: -182.492 flat angles P-C4'-P energy: -114.340 tors. eta vs tors. theta energy: -201.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2235.023650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.023650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.023650 (E_RNA) where: Base-Base interactions energy: -1508.678 where: short stacking energy: -624.808 Base-Backbone interact. energy: 1.095 local terms energy: -727.440739 where: bonds (distance) C4'-P energy: -143.100 bonds (distance) P-C4' energy: -159.626 flat angles C4'-P-C4' energy: -152.578 flat angles P-C4'-P energy: -112.691 tors. eta vs tors. theta energy: -159.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2063.263601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.263601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.263601 (E_RNA) where: Base-Base interactions energy: -1352.970 where: short stacking energy: -582.852 Base-Backbone interact. energy: -2.922 local terms energy: -707.370799 where: bonds (distance) C4'-P energy: -158.553 bonds (distance) P-C4' energy: -141.064 flat angles C4'-P-C4' energy: -149.180 flat angles P-C4'-P energy: -103.173 tors. eta vs tors. theta energy: -155.400 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: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1582.290202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.290202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.290202 (E_RNA) where: Base-Base interactions energy: -988.575 where: short stacking energy: -445.279 Base-Backbone interact. energy: -1.323 local terms energy: -592.392398 where: bonds (distance) C4'-P energy: -146.218 bonds (distance) P-C4' energy: -151.987 flat angles C4'-P-C4' energy: -129.898 flat angles P-C4'-P energy: -93.179 tors. eta vs tors. theta energy: -71.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1245.543455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.543455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.543455 (E_RNA) where: Base-Base interactions energy: -706.692 where: short stacking energy: -338.350 Base-Backbone interact. energy: -0.693 local terms energy: -538.158342 where: bonds (distance) C4'-P energy: -142.699 bonds (distance) P-C4' energy: -138.934 flat angles C4'-P-C4' energy: -136.115 flat angles P-C4'-P energy: -76.711 tors. eta vs tors. theta energy: -43.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -830.805342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.805342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.805342 (E_RNA) where: Base-Base interactions energy: -371.651 where: short stacking energy: -235.338 Base-Backbone interact. energy: 2.396 local terms energy: -461.550687 where: bonds (distance) C4'-P energy: -131.841 bonds (distance) P-C4' energy: -152.483 flat angles C4'-P-C4' energy: -127.971 flat angles P-C4'-P energy: -60.120 tors. eta vs tors. theta energy: 10.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -684.393013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.393013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.393013 (E_RNA) where: Base-Base interactions energy: -258.416 where: short stacking energy: -156.622 Base-Backbone interact. energy: 0.528 local terms energy: -426.504526 where: bonds (distance) C4'-P energy: -119.937 bonds (distance) P-C4' energy: -130.667 flat angles C4'-P-C4' energy: -139.066 flat angles P-C4'-P energy: -76.770 tors. eta vs tors. theta energy: 39.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2754.486437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.486437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.486437 (E_RNA) where: Base-Base interactions energy: -1885.512 where: short stacking energy: -809.434 Base-Backbone interact. energy: -2.798 local terms energy: -866.176512 where: bonds (distance) C4'-P energy: -159.414 bonds (distance) P-C4' energy: -173.151 flat angles C4'-P-C4' energy: -183.251 flat angles P-C4'-P energy: -111.246 tors. eta vs tors. theta energy: -239.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2674.361323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.361323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.361323 (E_RNA) where: Base-Base interactions energy: -1823.339 where: short stacking energy: -764.538 Base-Backbone interact. energy: -2.314 local terms energy: -848.707941 where: bonds (distance) C4'-P energy: -158.680 bonds (distance) P-C4' energy: -168.489 flat angles C4'-P-C4' energy: -188.946 flat angles P-C4'-P energy: -108.586 tors. eta vs tors. theta energy: -224.007 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: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2543.591101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.591101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.591101 (E_RNA) where: Base-Base interactions energy: -1710.061 where: short stacking energy: -740.836 Base-Backbone interact. energy: 5.681 local terms energy: -839.210764 where: bonds (distance) C4'-P energy: -158.034 bonds (distance) P-C4' energy: -179.899 flat angles C4'-P-C4' energy: -180.373 flat angles P-C4'-P energy: -113.192 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: 4, replica: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2325.135151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.135151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.135151 (E_RNA) where: Base-Base interactions energy: -1522.816 where: short stacking energy: -676.666 Base-Backbone interact. energy: -2.351 local terms energy: -799.967868 where: bonds (distance) C4'-P energy: -144.774 bonds (distance) P-C4' energy: -159.963 flat angles C4'-P-C4' energy: -176.480 flat angles P-C4'-P energy: -108.646 tors. eta vs tors. theta energy: -210.105 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: 8 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2158.624031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.624031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.624031 (E_RNA) where: Base-Base interactions energy: -1466.219 where: short stacking energy: -626.757 Base-Backbone interact. energy: -1.483 local terms energy: -690.922005 where: bonds (distance) C4'-P energy: -143.094 bonds (distance) P-C4' energy: -146.800 flat angles C4'-P-C4' energy: -158.993 flat angles P-C4'-P energy: -86.608 tors. eta vs tors. theta energy: -155.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2110.846117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.846117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.846117 (E_RNA) where: Base-Base interactions energy: -1423.533 where: short stacking energy: -613.116 Base-Backbone interact. energy: -5.816 local terms energy: -681.496928 where: bonds (distance) C4'-P energy: -123.852 bonds (distance) P-C4' energy: -129.249 flat angles C4'-P-C4' energy: -154.514 flat angles P-C4'-P energy: -106.100 tors. eta vs tors. theta energy: -167.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1563.693617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.693617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.693617 (E_RNA) where: Base-Base interactions energy: -969.330 where: short stacking energy: -444.258 Base-Backbone interact. energy: -2.033 local terms energy: -592.330228 where: bonds (distance) C4'-P energy: -134.028 bonds (distance) P-C4' energy: -155.838 flat angles C4'-P-C4' energy: -133.895 flat angles P-C4'-P energy: -72.744 tors. eta vs tors. theta energy: -95.825 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: 1 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1252.192621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.192621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.192621 (E_RNA) where: Base-Base interactions energy: -759.054 where: short stacking energy: -355.106 Base-Backbone interact. energy: -1.044 local terms energy: -492.094770 where: bonds (distance) C4'-P energy: -108.948 bonds (distance) P-C4' energy: -125.831 flat angles C4'-P-C4' energy: -133.863 flat angles P-C4'-P energy: -83.518 tors. eta vs tors. theta energy: -39.935 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: 3 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -808.601233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.601233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.601233 (E_RNA) where: Base-Base interactions energy: -336.640 where: short stacking energy: -200.432 Base-Backbone interact. energy: -0.225 local terms energy: -471.736689 where: bonds (distance) C4'-P energy: -121.460 bonds (distance) P-C4' energy: -145.471 flat angles C4'-P-C4' energy: -119.543 flat angles P-C4'-P energy: -76.091 tors. eta vs tors. theta energy: -9.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -771.587442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.587442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.587442 (E_RNA) where: Base-Base interactions energy: -325.896 where: short stacking energy: -184.200 Base-Backbone interact. energy: -0.628 local terms energy: -445.063583 where: bonds (distance) C4'-P energy: -112.542 bonds (distance) P-C4' energy: -139.862 flat angles C4'-P-C4' energy: -139.274 flat angles P-C4'-P energy: -78.145 tors. eta vs tors. theta energy: 24.759 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: 9 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2760.261783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.261783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.261783 (E_RNA) where: Base-Base interactions energy: -1858.951 where: short stacking energy: -806.222 Base-Backbone interact. energy: -4.317 local terms energy: -896.993804 where: bonds (distance) C4'-P energy: -175.630 bonds (distance) P-C4' energy: -164.423 flat angles C4'-P-C4' energy: -193.981 flat angles P-C4'-P energy: -130.873 tors. eta vs tors. theta energy: -232.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2679.618203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.618203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.618203 (E_RNA) where: Base-Base interactions energy: -1847.675 where: short stacking energy: -763.880 Base-Backbone interact. energy: -3.612 local terms energy: -828.331082 where: bonds (distance) C4'-P energy: -158.059 bonds (distance) P-C4' energy: -162.399 flat angles C4'-P-C4' energy: -183.986 flat angles P-C4'-P energy: -107.205 tors. eta vs tors. theta energy: -216.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2535.373974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.373974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.373974 (E_RNA) where: Base-Base interactions energy: -1726.569 where: short stacking energy: -736.019 Base-Backbone interact. energy: 2.601 local terms energy: -811.406481 where: bonds (distance) C4'-P energy: -161.017 bonds (distance) P-C4' energy: -149.913 flat angles C4'-P-C4' energy: -170.617 flat angles P-C4'-P energy: -126.288 tors. eta vs tors. theta energy: -203.570 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: 4, replica: 2 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2337.259886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.259886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.259886 (E_RNA) where: Base-Base interactions energy: -1529.202 where: short stacking energy: -702.464 Base-Backbone interact. energy: -3.019 local terms energy: -805.039121 where: bonds (distance) C4'-P energy: -161.971 bonds (distance) P-C4' energy: -150.031 flat angles C4'-P-C4' energy: -179.542 flat angles P-C4'-P energy: -117.954 tors. eta vs tors. theta energy: -195.540 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: 8 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2215.481316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.481316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.481316 (E_RNA) where: Base-Base interactions energy: -1491.985 where: short stacking energy: -646.543 Base-Backbone interact. energy: -0.256 local terms energy: -723.240123 where: bonds (distance) C4'-P energy: -132.827 bonds (distance) P-C4' energy: -166.634 flat angles C4'-P-C4' energy: -165.924 flat angles P-C4'-P energy: -100.709 tors. eta vs tors. theta energy: -157.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2162.786125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.786125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.786125 (E_RNA) where: Base-Base interactions energy: -1441.144 where: short stacking energy: -621.011 Base-Backbone interact. energy: -1.704 local terms energy: -719.938191 where: bonds (distance) C4'-P energy: -128.372 bonds (distance) P-C4' energy: -144.840 flat angles C4'-P-C4' energy: -148.004 flat angles P-C4'-P energy: -119.270 tors. eta vs tors. theta energy: -179.452 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: 5 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1625.277706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.277706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.277706 (E_RNA) where: Base-Base interactions energy: -987.999 where: short stacking energy: -459.816 Base-Backbone interact. energy: 2.724 local terms energy: -640.002401 where: bonds (distance) C4'-P energy: -132.146 bonds (distance) P-C4' energy: -152.281 flat angles C4'-P-C4' energy: -166.208 flat angles P-C4'-P energy: -90.998 tors. eta vs tors. theta energy: -98.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1281.663410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.663410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.663410 (E_RNA) where: Base-Base interactions energy: -769.179 where: short stacking energy: -355.221 Base-Backbone interact. energy: 6.824 local terms energy: -519.307808 where: bonds (distance) C4'-P energy: -125.185 bonds (distance) P-C4' energy: -146.984 flat angles C4'-P-C4' energy: -130.121 flat angles P-C4'-P energy: -75.039 tors. eta vs tors. theta energy: -41.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -815.781021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.781021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.781021 (E_RNA) where: Base-Base interactions energy: -356.801 where: short stacking energy: -243.254 Base-Backbone interact. energy: 4.677 local terms energy: -463.657012 where: bonds (distance) C4'-P energy: -140.729 bonds (distance) P-C4' energy: -145.488 flat angles C4'-P-C4' energy: -97.288 flat angles P-C4'-P energy: -67.235 tors. eta vs tors. theta energy: -12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -752.071491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.071491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.071491 (E_RNA) where: Base-Base interactions energy: -379.444 where: short stacking energy: -230.022 Base-Backbone interact. energy: -0.535 local terms energy: -372.092833 where: bonds (distance) C4'-P energy: -121.920 bonds (distance) P-C4' energy: -117.512 flat angles C4'-P-C4' energy: -88.176 flat angles P-C4'-P energy: -45.567 tors. eta vs tors. theta energy: 1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2786.105170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.105170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.105170 (E_RNA) where: Base-Base interactions energy: -1910.964 where: short stacking energy: -839.995 Base-Backbone interact. energy: -2.838 local terms energy: -872.303221 where: bonds (distance) C4'-P energy: -159.869 bonds (distance) P-C4' energy: -159.970 flat angles C4'-P-C4' energy: -200.004 flat angles P-C4'-P energy: -129.840 tors. eta vs tors. theta energy: -222.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2687.647816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.647816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.647816 (E_RNA) where: Base-Base interactions energy: -1830.110 where: short stacking energy: -785.950 Base-Backbone interact. energy: -0.929 local terms energy: -856.608138 where: bonds (distance) C4'-P energy: -157.620 bonds (distance) P-C4' energy: -164.809 flat angles C4'-P-C4' energy: -183.767 flat angles P-C4'-P energy: -121.064 tors. eta vs tors. theta energy: -229.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2504.773879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.773879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.773879 (E_RNA) where: Base-Base interactions energy: -1676.456 where: short stacking energy: -725.745 Base-Backbone interact. energy: 0.886 local terms energy: -829.204190 where: bonds (distance) C4'-P energy: -176.285 bonds (distance) P-C4' energy: -169.220 flat angles C4'-P-C4' energy: -182.245 flat angles P-C4'-P energy: -96.323 tors. eta vs tors. theta energy: -205.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2295.033616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.033616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.033616 (E_RNA) where: Base-Base interactions energy: -1510.601 where: short stacking energy: -692.276 Base-Backbone interact. energy: -1.976 local terms energy: -782.456317 where: bonds (distance) C4'-P energy: -142.369 bonds (distance) P-C4' energy: -153.115 flat angles C4'-P-C4' energy: -172.442 flat angles P-C4'-P energy: -122.652 tors. eta vs tors. theta energy: -191.879 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: 186 Temperature: 1.100000 Total energy: -2234.591231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.591231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.591231 (E_RNA) where: Base-Base interactions energy: -1507.214 where: short stacking energy: -652.952 Base-Backbone interact. energy: -0.986 local terms energy: -726.391387 where: bonds (distance) C4'-P energy: -136.489 bonds (distance) P-C4' energy: -140.544 flat angles C4'-P-C4' energy: -174.390 flat angles P-C4'-P energy: -107.405 tors. eta vs tors. theta energy: -167.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2056.116960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.116960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.116960 (E_RNA) where: Base-Base interactions energy: -1354.102 where: short stacking energy: -559.656 Base-Backbone interact. energy: -3.415 local terms energy: -698.599832 where: bonds (distance) C4'-P energy: -137.174 bonds (distance) P-C4' energy: -164.350 flat angles C4'-P-C4' energy: -145.199 flat angles P-C4'-P energy: -105.135 tors. eta vs tors. theta energy: -146.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1583.637596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.637596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.637596 (E_RNA) where: Base-Base interactions energy: -971.202 where: short stacking energy: -454.356 Base-Backbone interact. energy: 0.554 local terms energy: -612.989312 where: bonds (distance) C4'-P energy: -140.068 bonds (distance) P-C4' energy: -153.950 flat angles C4'-P-C4' energy: -156.495 flat angles P-C4'-P energy: -70.658 tors. eta vs tors. theta energy: -91.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1341.507091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.507091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.507091 (E_RNA) where: Base-Base interactions energy: -801.866 where: short stacking energy: -372.698 Base-Backbone interact. energy: -1.003 local terms energy: -538.638436 where: bonds (distance) C4'-P energy: -142.376 bonds (distance) P-C4' energy: -136.312 flat angles C4'-P-C4' energy: -131.153 flat angles P-C4'-P energy: -80.270 tors. eta vs tors. theta energy: -48.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -904.026630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.026630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.026630 (E_RNA) where: Base-Base interactions energy: -433.295 where: short stacking energy: -236.541 Base-Backbone interact. energy: 2.861 local terms energy: -473.592302 where: bonds (distance) C4'-P energy: -121.633 bonds (distance) P-C4' energy: -146.203 flat angles C4'-P-C4' energy: -136.112 flat angles P-C4'-P energy: -77.375 tors. eta vs tors. theta energy: 7.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -717.118695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.118695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.118695 (E_RNA) where: Base-Base interactions energy: -298.382 where: short stacking energy: -178.196 Base-Backbone interact. energy: -1.590 local terms energy: -417.146284 where: bonds (distance) C4'-P energy: -134.369 bonds (distance) P-C4' energy: -121.172 flat angles C4'-P-C4' energy: -97.666 flat angles P-C4'-P energy: -78.811 tors. eta vs tors. theta energy: 14.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2745.714165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.714165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.714165 (E_RNA) where: Base-Base interactions energy: -1877.088 where: short stacking energy: -793.779 Base-Backbone interact. energy: -0.570 local terms energy: -868.056445 where: bonds (distance) C4'-P energy: -149.344 bonds (distance) P-C4' energy: -160.365 flat angles C4'-P-C4' energy: -182.634 flat angles P-C4'-P energy: -136.820 tors. eta vs tors. theta energy: -238.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2701.413532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.413532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.413532 (E_RNA) where: Base-Base interactions energy: -1862.182 where: short stacking energy: -786.886 Base-Backbone interact. energy: -1.968 local terms energy: -837.263445 where: bonds (distance) C4'-P energy: -139.593 bonds (distance) P-C4' energy: -150.599 flat angles C4'-P-C4' energy: -189.169 flat angles P-C4'-P energy: -121.878 tors. eta vs tors. theta energy: -236.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2488.772400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.772400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.772400 (E_RNA) where: Base-Base interactions energy: -1678.654 where: short stacking energy: -728.129 Base-Backbone interact. energy: 0.194 local terms energy: -810.312373 where: bonds (distance) C4'-P energy: -156.039 bonds (distance) P-C4' energy: -163.046 flat angles C4'-P-C4' energy: -166.414 flat angles P-C4'-P energy: -110.150 tors. eta vs tors. theta energy: -214.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2320.300940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.300940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.300940 (E_RNA) where: Base-Base interactions energy: -1536.443 where: short stacking energy: -706.671 Base-Backbone interact. energy: -3.404 local terms energy: -780.454005 where: bonds (distance) C4'-P energy: -133.730 bonds (distance) P-C4' energy: -147.553 flat angles C4'-P-C4' energy: -178.261 flat angles P-C4'-P energy: -116.021 tors. eta vs tors. theta energy: -204.889 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: 187 Temperature: 1.100000 Total energy: -2228.556445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.556445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.556445 (E_RNA) where: Base-Base interactions energy: -1474.861 where: short stacking energy: -639.363 Base-Backbone interact. energy: -3.917 local terms energy: -749.779086 where: bonds (distance) C4'-P energy: -156.680 bonds (distance) P-C4' energy: -155.958 flat angles C4'-P-C4' energy: -154.622 flat angles P-C4'-P energy: -108.754 tors. eta vs tors. theta energy: -173.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2008.894339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.894339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.894339 (E_RNA) where: Base-Base interactions energy: -1309.970 where: short stacking energy: -563.744 Base-Backbone interact. energy: 0.649 local terms energy: -699.572848 where: bonds (distance) C4'-P energy: -153.349 bonds (distance) P-C4' energy: -155.161 flat angles C4'-P-C4' energy: -166.159 flat angles P-C4'-P energy: -83.278 tors. eta vs tors. theta energy: -141.625 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: 7, replica: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1588.138498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.138498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.138498 (E_RNA) where: Base-Base interactions energy: -949.934 where: short stacking energy: -429.054 Base-Backbone interact. energy: -4.185 local terms energy: -634.019190 where: bonds (distance) C4'-P energy: -129.093 bonds (distance) P-C4' energy: -160.454 flat angles C4'-P-C4' energy: -150.121 flat angles P-C4'-P energy: -92.851 tors. eta vs tors. theta energy: -101.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1270.828366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.828366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.828366 (E_RNA) where: Base-Base interactions energy: -728.491 where: short stacking energy: -347.828 Base-Backbone interact. energy: -0.947 local terms energy: -541.390475 where: bonds (distance) C4'-P energy: -127.449 bonds (distance) P-C4' energy: -142.049 flat angles C4'-P-C4' energy: -146.908 flat angles P-C4'-P energy: -84.980 tors. eta vs tors. theta energy: -40.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -922.366567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.366567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.366567 (E_RNA) where: Base-Base interactions energy: -450.236 where: short stacking energy: -237.202 Base-Backbone interact. energy: -1.924 local terms energy: -470.205950 where: bonds (distance) C4'-P energy: -133.612 bonds (distance) P-C4' energy: -144.937 flat angles C4'-P-C4' energy: -123.863 flat angles P-C4'-P energy: -68.143 tors. eta vs tors. theta energy: 0.349 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: 10, replica: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -706.623012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.623012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.623012 (E_RNA) where: Base-Base interactions energy: -306.675 where: short stacking energy: -200.153 Base-Backbone interact. energy: 9.815 local terms energy: -409.762910 where: bonds (distance) C4'-P energy: -116.077 bonds (distance) P-C4' energy: -145.415 flat angles C4'-P-C4' energy: -115.394 flat angles P-C4'-P energy: -59.319 tors. eta vs tors. theta energy: 26.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2740.362066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.362066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.362066 (E_RNA) where: Base-Base interactions energy: -1889.543 where: short stacking energy: -831.099 Base-Backbone interact. energy: -4.194 local terms energy: -846.625202 where: bonds (distance) C4'-P energy: -144.365 bonds (distance) P-C4' energy: -157.651 flat angles C4'-P-C4' energy: -188.241 flat angles P-C4'-P energy: -127.407 tors. eta vs tors. theta energy: -228.961 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: 9 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2665.539248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.539248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.539248 (E_RNA) where: Base-Base interactions energy: -1800.132 where: short stacking energy: -765.902 Base-Backbone interact. energy: -3.993 local terms energy: -861.414649 where: bonds (distance) C4'-P energy: -157.465 bonds (distance) P-C4' energy: -178.809 flat angles C4'-P-C4' energy: -179.267 flat angles P-C4'-P energy: -122.066 tors. eta vs tors. theta energy: -223.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2505.979895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.979895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.979895 (E_RNA) where: Base-Base interactions energy: -1692.327 where: short stacking energy: -752.008 Base-Backbone interact. energy: -3.555 local terms energy: -810.098250 where: bonds (distance) C4'-P energy: -140.986 bonds (distance) P-C4' energy: -174.385 flat angles C4'-P-C4' energy: -171.885 flat angles P-C4'-P energy: -122.718 tors. eta vs tors. theta energy: -200.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2292.133706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.133706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.133706 (E_RNA) where: Base-Base interactions energy: -1486.023 where: short stacking energy: -655.629 Base-Backbone interact. energy: -4.391 local terms energy: -801.719480 where: bonds (distance) C4'-P energy: -156.917 bonds (distance) P-C4' energy: -174.317 flat angles C4'-P-C4' energy: -170.949 flat angles P-C4'-P energy: -116.073 tors. eta vs tors. theta energy: -183.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2236.218668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.218668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.218668 (E_RNA) where: Base-Base interactions energy: -1479.693 where: short stacking energy: -655.993 Base-Backbone interact. energy: 2.036 local terms energy: -758.561420 where: bonds (distance) C4'-P energy: -149.879 bonds (distance) P-C4' energy: -154.767 flat angles C4'-P-C4' energy: -164.027 flat angles P-C4'-P energy: -110.685 tors. eta vs tors. theta energy: -179.204 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: 6, replica: 8 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1964.494082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.494082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.494082 (E_RNA) where: Base-Base interactions energy: -1282.425 where: short stacking energy: -568.324 Base-Backbone interact. energy: -1.987 local terms energy: -680.082294 where: bonds (distance) C4'-P energy: -138.056 bonds (distance) P-C4' energy: -134.746 flat angles C4'-P-C4' energy: -165.361 flat angles P-C4'-P energy: -99.777 tors. eta vs tors. theta energy: -142.143 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: 188 Temperature: 1.200000 Total energy: -1633.815772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.815772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.815772 (E_RNA) where: Base-Base interactions energy: -1025.894 where: short stacking energy: -469.543 Base-Backbone interact. energy: 3.469 local terms energy: -611.391167 where: bonds (distance) C4'-P energy: -124.553 bonds (distance) P-C4' energy: -152.149 flat angles C4'-P-C4' energy: -145.431 flat angles P-C4'-P energy: -88.004 tors. eta vs tors. theta energy: -101.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1306.895614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.895614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.895614 (E_RNA) where: Base-Base interactions energy: -817.052 where: short stacking energy: -393.839 Base-Backbone interact. energy: 7.908 local terms energy: -497.751502 where: bonds (distance) C4'-P energy: -126.939 bonds (distance) P-C4' energy: -133.130 flat angles C4'-P-C4' energy: -123.024 flat angles P-C4'-P energy: -77.205 tors. eta vs tors. theta energy: -37.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -956.221336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.221336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.221336 (E_RNA) where: Base-Base interactions energy: -472.898 where: short stacking energy: -251.484 Base-Backbone interact. energy: -1.610 local terms energy: -481.712964 where: bonds (distance) C4'-P energy: -143.469 bonds (distance) P-C4' energy: -151.384 flat angles C4'-P-C4' energy: -110.474 flat angles P-C4'-P energy: -84.480 tors. eta vs tors. theta energy: 8.094 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: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -734.148424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.148424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.148424 (E_RNA) where: Base-Base interactions energy: -318.083 where: short stacking energy: -186.634 Base-Backbone interact. energy: 5.885 local terms energy: -421.951205 where: bonds (distance) C4'-P energy: -121.216 bonds (distance) P-C4' energy: -134.058 flat angles C4'-P-C4' energy: -119.340 flat angles P-C4'-P energy: -59.059 tors. eta vs tors. theta energy: 11.722 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: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2760.651154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.651154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.651154 (E_RNA) where: Base-Base interactions energy: -1886.419 where: short stacking energy: -806.621 Base-Backbone interact. energy: -4.727 local terms energy: -869.505032 where: bonds (distance) C4'-P energy: -159.075 bonds (distance) P-C4' energy: -160.045 flat angles C4'-P-C4' energy: -188.971 flat angles P-C4'-P energy: -123.552 tors. eta vs tors. theta energy: -237.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2663.867790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.867790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.867790 (E_RNA) where: Base-Base interactions energy: -1818.162 where: short stacking energy: -796.238 Base-Backbone interact. energy: -4.723 local terms energy: -840.983051 where: bonds (distance) C4'-P energy: -159.780 bonds (distance) P-C4' energy: -168.887 flat angles C4'-P-C4' energy: -176.989 flat angles P-C4'-P energy: -111.176 tors. eta vs tors. theta energy: -224.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2479.670086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.670086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.670086 (E_RNA) where: Base-Base interactions energy: -1702.067 where: short stacking energy: -726.727 Base-Backbone interact. energy: 4.258 local terms energy: -781.861779 where: bonds (distance) C4'-P energy: -144.584 bonds (distance) P-C4' energy: -144.869 flat angles C4'-P-C4' energy: -164.291 flat angles P-C4'-P energy: -114.626 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: 4, replica: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2252.577620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.577620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.577620 (E_RNA) where: Base-Base interactions energy: -1471.939 where: short stacking energy: -659.322 Base-Backbone interact. energy: -2.965 local terms energy: -777.673495 where: bonds (distance) C4'-P energy: -143.527 bonds (distance) P-C4' energy: -162.918 flat angles C4'-P-C4' energy: -164.903 flat angles P-C4'-P energy: -123.122 tors. eta vs tors. theta energy: -183.204 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: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2289.228925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.228925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.228925 (E_RNA) where: Base-Base interactions energy: -1537.858 where: short stacking energy: -691.901 Base-Backbone interact. energy: 2.337 local terms energy: -753.708083 where: bonds (distance) C4'-P energy: -137.095 bonds (distance) P-C4' energy: -145.484 flat angles C4'-P-C4' energy: -171.503 flat angles P-C4'-P energy: -109.765 tors. eta vs tors. theta energy: -189.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1956.080200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.080200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.080200 (E_RNA) where: Base-Base interactions energy: -1334.680 where: short stacking energy: -535.907 Base-Backbone interact. energy: -1.723 local terms energy: -619.676541 where: bonds (distance) C4'-P energy: -119.400 bonds (distance) P-C4' energy: -112.231 flat angles C4'-P-C4' energy: -159.389 flat angles P-C4'-P energy: -102.060 tors. eta vs tors. theta energy: -126.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1584.156931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.156931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.156931 (E_RNA) where: Base-Base interactions energy: -984.672 where: short stacking energy: -463.336 Base-Backbone interact. energy: -0.979 local terms energy: -598.506298 where: bonds (distance) C4'-P energy: -134.570 bonds (distance) P-C4' energy: -145.675 flat angles C4'-P-C4' energy: -155.529 flat angles P-C4'-P energy: -86.238 tors. eta vs tors. theta energy: -76.494 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: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1399.155188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.155188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.155188 (E_RNA) where: Base-Base interactions energy: -832.186 where: short stacking energy: -409.685 Base-Backbone interact. energy: 4.574 local terms energy: -571.543305 where: bonds (distance) C4'-P energy: -131.030 bonds (distance) P-C4' energy: -159.705 flat angles C4'-P-C4' energy: -145.370 flat angles P-C4'-P energy: -64.513 tors. eta vs tors. theta energy: -70.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1068.024076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.024076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.024076 (E_RNA) where: Base-Base interactions energy: -585.744 where: short stacking energy: -305.419 Base-Backbone interact. energy: 5.611 local terms energy: -487.890695 where: bonds (distance) C4'-P energy: -138.043 bonds (distance) P-C4' energy: -142.831 flat angles C4'-P-C4' energy: -107.392 flat angles P-C4'-P energy: -83.219 tors. eta vs tors. theta energy: -16.405 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: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -728.898827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.898827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.898827 (E_RNA) where: Base-Base interactions energy: -293.935 where: short stacking energy: -198.252 Base-Backbone interact. energy: -2.328 local terms energy: -432.635965 where: bonds (distance) C4'-P energy: -131.449 bonds (distance) P-C4' energy: -146.647 flat angles C4'-P-C4' energy: -114.533 flat angles P-C4'-P energy: -56.171 tors. eta vs tors. theta energy: 16.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2766.634043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.634043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.634043 (E_RNA) where: Base-Base interactions energy: -1883.548 where: short stacking energy: -821.896 Base-Backbone interact. energy: -2.059 local terms energy: -881.026566 where: bonds (distance) C4'-P energy: -159.025 bonds (distance) P-C4' energy: -155.414 flat angles C4'-P-C4' energy: -196.227 flat angles P-C4'-P energy: -129.879 tors. eta vs tors. theta energy: -240.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2700.238447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.238447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.238447 (E_RNA) where: Base-Base interactions energy: -1832.510 where: short stacking energy: -809.109 Base-Backbone interact. energy: -0.510 local terms energy: -867.218359 where: bonds (distance) C4'-P energy: -159.068 bonds (distance) P-C4' energy: -174.857 flat angles C4'-P-C4' energy: -186.843 flat angles P-C4'-P energy: -121.646 tors. eta vs tors. theta energy: -224.804 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: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2511.125136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.125136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.125136 (E_RNA) where: Base-Base interactions energy: -1703.919 where: short stacking energy: -723.372 Base-Backbone interact. energy: -1.231 local terms energy: -805.974960 where: bonds (distance) C4'-P energy: -163.221 bonds (distance) P-C4' energy: -150.608 flat angles C4'-P-C4' energy: -166.710 flat angles P-C4'-P energy: -116.278 tors. eta vs tors. theta energy: -209.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2287.529449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.529449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.529449 (E_RNA) where: Base-Base interactions energy: -1520.600 where: short stacking energy: -671.182 Base-Backbone interact. energy: -2.608 local terms energy: -764.321554 where: bonds (distance) C4'-P energy: -155.513 bonds (distance) P-C4' energy: -146.169 flat angles C4'-P-C4' energy: -171.613 flat angles P-C4'-P energy: -101.898 tors. eta vs tors. theta energy: -189.128 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: 190 Temperature: 1.100000 Total energy: -2240.069537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.069537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.069537 (E_RNA) where: Base-Base interactions energy: -1495.724 where: short stacking energy: -660.533 Base-Backbone interact. energy: -1.193 local terms energy: -743.152111 where: bonds (distance) C4'-P energy: -145.355 bonds (distance) P-C4' energy: -150.314 flat angles C4'-P-C4' energy: -168.794 flat angles P-C4'-P energy: -105.462 tors. eta vs tors. theta energy: -173.227 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: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1899.615590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.615590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.615590 (E_RNA) where: Base-Base interactions energy: -1284.732 where: short stacking energy: -546.759 Base-Backbone interact. energy: -3.521 local terms energy: -611.362565 where: bonds (distance) C4'-P energy: -131.192 bonds (distance) P-C4' energy: -125.329 flat angles C4'-P-C4' energy: -153.979 flat angles P-C4'-P energy: -83.876 tors. eta vs tors. theta energy: -116.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1580.722870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.722870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.722870 (E_RNA) where: Base-Base interactions energy: -967.275 where: short stacking energy: -431.337 Base-Backbone interact. energy: -0.332 local terms energy: -613.116236 where: bonds (distance) C4'-P energy: -139.844 bonds (distance) P-C4' energy: -141.964 flat angles C4'-P-C4' energy: -144.207 flat angles P-C4'-P energy: -94.177 tors. eta vs tors. theta energy: -92.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1429.892445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.892445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.892445 (E_RNA) where: Base-Base interactions energy: -842.166 where: short stacking energy: -397.133 Base-Backbone interact. energy: -2.409 local terms energy: -585.317788 where: bonds (distance) C4'-P energy: -145.113 bonds (distance) P-C4' energy: -133.992 flat angles C4'-P-C4' energy: -135.778 flat angles P-C4'-P energy: -83.996 tors. eta vs tors. theta energy: -86.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1087.537940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.537940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.537940 (E_RNA) where: Base-Base interactions energy: -619.564 where: short stacking energy: -288.393 Base-Backbone interact. energy: 6.737 local terms energy: -474.711274 where: bonds (distance) C4'-P energy: -142.566 bonds (distance) P-C4' energy: -118.160 flat angles C4'-P-C4' energy: -125.582 flat angles P-C4'-P energy: -68.314 tors. eta vs tors. theta energy: -20.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -787.966748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.966748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.966748 (E_RNA) where: Base-Base interactions energy: -370.422 where: short stacking energy: -219.825 Base-Backbone interact. energy: 1.648 local terms energy: -419.192488 where: bonds (distance) C4'-P energy: -129.846 bonds (distance) P-C4' energy: -147.574 flat angles C4'-P-C4' energy: -104.374 flat angles P-C4'-P energy: -60.536 tors. eta vs tors. theta energy: 23.138 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: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2762.213501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.213501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.213501 (E_RNA) where: Base-Base interactions energy: -1889.692 where: short stacking energy: -812.825 Base-Backbone interact. energy: -2.916 local terms energy: -869.605714 where: bonds (distance) C4'-P energy: -164.183 bonds (distance) P-C4' energy: -165.152 flat angles C4'-P-C4' energy: -184.001 flat angles P-C4'-P energy: -113.999 tors. eta vs tors. theta energy: -242.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2691.203944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.203944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.203944 (E_RNA) where: Base-Base interactions energy: -1825.439 where: short stacking energy: -774.258 Base-Backbone interact. energy: -3.377 local terms energy: -862.388100 where: bonds (distance) C4'-P energy: -158.611 bonds (distance) P-C4' energy: -168.411 flat angles C4'-P-C4' energy: -181.194 flat angles P-C4'-P energy: -124.713 tors. eta vs tors. theta energy: -229.460 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: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2543.201445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.201445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.201445 (E_RNA) where: Base-Base interactions energy: -1725.599 where: short stacking energy: -740.430 Base-Backbone interact. energy: -0.874 local terms energy: -816.728692 where: bonds (distance) C4'-P energy: -139.968 bonds (distance) P-C4' energy: -156.826 flat angles C4'-P-C4' energy: -163.035 flat angles P-C4'-P energy: -132.338 tors. eta vs tors. theta energy: -224.561 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: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2238.726986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.726986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.726986 (E_RNA) where: Base-Base interactions energy: -1484.538 where: short stacking energy: -661.332 Base-Backbone interact. energy: -3.477 local terms energy: -750.711693 where: bonds (distance) C4'-P energy: -138.925 bonds (distance) P-C4' energy: -164.386 flat angles C4'-P-C4' energy: -175.866 flat angles P-C4'-P energy: -92.420 tors. eta vs tors. theta energy: -179.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2252.527864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.527864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.527864 (E_RNA) where: Base-Base interactions energy: -1492.916 where: short stacking energy: -683.469 Base-Backbone interact. energy: -3.386 local terms energy: -756.225686 where: bonds (distance) C4'-P energy: -125.946 bonds (distance) P-C4' energy: -145.318 flat angles C4'-P-C4' energy: -174.429 flat angles P-C4'-P energy: -122.626 tors. eta vs tors. theta energy: -187.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1833.011489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.011489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.011489 (E_RNA) where: Base-Base interactions energy: -1187.550 where: short stacking energy: -492.268 Base-Backbone interact. energy: -4.010 local terms energy: -641.450951 where: bonds (distance) C4'-P energy: -132.635 bonds (distance) P-C4' energy: -145.182 flat angles C4'-P-C4' energy: -157.501 flat angles P-C4'-P energy: -97.599 tors. eta vs tors. theta energy: -108.534 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: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1601.938034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.938034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.938034 (E_RNA) where: Base-Base interactions energy: -962.647 where: short stacking energy: -475.573 Base-Backbone interact. energy: -1.300 local terms energy: -637.991004 where: bonds (distance) C4'-P energy: -127.094 bonds (distance) P-C4' energy: -163.165 flat angles C4'-P-C4' energy: -145.906 flat angles P-C4'-P energy: -105.667 tors. eta vs tors. theta energy: -96.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1396.959815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.959815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.959815 (E_RNA) where: Base-Base interactions energy: -864.038 where: short stacking energy: -397.040 Base-Backbone interact. energy: 0.042 local terms energy: -532.964197 where: bonds (distance) C4'-P energy: -132.816 bonds (distance) P-C4' energy: -141.524 flat angles C4'-P-C4' energy: -134.403 flat angles P-C4'-P energy: -72.434 tors. eta vs tors. theta energy: -51.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -995.736717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.736717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.736717 (E_RNA) where: Base-Base interactions energy: -534.952 where: short stacking energy: -271.445 Base-Backbone interact. energy: 3.871 local terms energy: -464.655785 where: bonds (distance) C4'-P energy: -131.493 bonds (distance) P-C4' energy: -144.309 flat angles C4'-P-C4' energy: -113.603 flat angles P-C4'-P energy: -66.939 tors. eta vs tors. theta energy: -8.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -792.578467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.578467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.578467 (E_RNA) where: Base-Base interactions energy: -385.295 where: short stacking energy: -213.263 Base-Backbone interact. energy: -2.094 local terms energy: -405.189658 where: bonds (distance) C4'-P energy: -111.549 bonds (distance) P-C4' energy: -121.963 flat angles C4'-P-C4' energy: -96.492 flat angles P-C4'-P energy: -82.820 tors. eta vs tors. theta energy: 7.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2758.138303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.138303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.138303 (E_RNA) where: Base-Base interactions energy: -1891.858 where: short stacking energy: -805.050 Base-Backbone interact. energy: -2.742 local terms energy: -863.538213 where: bonds (distance) C4'-P energy: -165.837 bonds (distance) P-C4' energy: -167.859 flat angles C4'-P-C4' energy: -181.813 flat angles P-C4'-P energy: -119.395 tors. eta vs tors. theta energy: -228.634 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: 2, replica: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2689.337400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.337400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.337400 (E_RNA) where: Base-Base interactions energy: -1839.552 where: short stacking energy: -797.688 Base-Backbone interact. energy: -2.270 local terms energy: -847.515076 where: bonds (distance) C4'-P energy: -159.893 bonds (distance) P-C4' energy: -144.909 flat angles C4'-P-C4' energy: -187.330 flat angles P-C4'-P energy: -125.216 tors. eta vs tors. theta energy: -230.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2549.294742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.294742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.294742 (E_RNA) where: Base-Base interactions energy: -1725.655 where: short stacking energy: -710.216 Base-Backbone interact. energy: 0.025 local terms energy: -823.665441 where: bonds (distance) C4'-P energy: -157.432 bonds (distance) P-C4' energy: -166.473 flat angles C4'-P-C4' energy: -175.989 flat angles P-C4'-P energy: -106.675 tors. eta vs tors. theta energy: -217.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2272.120639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.120639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.120639 (E_RNA) where: Base-Base interactions energy: -1490.902 where: short stacking energy: -695.579 Base-Backbone interact. energy: -1.356 local terms energy: -779.862512 where: bonds (distance) C4'-P energy: -144.145 bonds (distance) P-C4' energy: -154.517 flat angles C4'-P-C4' energy: -152.917 flat angles P-C4'-P energy: -124.007 tors. eta vs tors. theta energy: -204.276 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: 5, replica: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2269.257703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.257703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.257703 (E_RNA) where: Base-Base interactions energy: -1531.031 where: short stacking energy: -690.129 Base-Backbone interact. energy: -0.666 local terms energy: -737.560337 where: bonds (distance) C4'-P energy: -136.247 bonds (distance) P-C4' energy: -148.651 flat angles C4'-P-C4' energy: -157.570 flat angles P-C4'-P energy: -107.599 tors. eta vs tors. theta energy: -187.493 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: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1979.084313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.084313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.084313 (E_RNA) where: Base-Base interactions energy: -1288.376 where: short stacking energy: -566.362 Base-Backbone interact. energy: -2.887 local terms energy: -687.820939 where: bonds (distance) C4'-P energy: -129.361 bonds (distance) P-C4' energy: -152.361 flat angles C4'-P-C4' energy: -162.351 flat angles P-C4'-P energy: -104.365 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: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1642.872239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.872239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.872239 (E_RNA) where: Base-Base interactions energy: -1007.153 where: short stacking energy: -476.234 Base-Backbone interact. energy: 1.379 local terms energy: -637.098865 where: bonds (distance) C4'-P energy: -122.698 bonds (distance) P-C4' energy: -134.941 flat angles C4'-P-C4' energy: -158.038 flat angles P-C4'-P energy: -100.556 tors. eta vs tors. theta energy: -120.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1360.505578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.505578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.505578 (E_RNA) where: Base-Base interactions energy: -792.561 where: short stacking energy: -368.380 Base-Backbone interact. energy: 0.323 local terms energy: -568.268348 where: bonds (distance) C4'-P energy: -129.785 bonds (distance) P-C4' energy: -157.502 flat angles C4'-P-C4' energy: -139.721 flat angles P-C4'-P energy: -88.823 tors. eta vs tors. theta energy: -52.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -929.798713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.798713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.798713 (E_RNA) where: Base-Base interactions energy: -464.661 where: short stacking energy: -215.838 Base-Backbone interact. energy: -3.686 local terms energy: -461.452610 where: bonds (distance) C4'-P energy: -111.060 bonds (distance) P-C4' energy: -135.611 flat angles C4'-P-C4' energy: -132.725 flat angles P-C4'-P energy: -90.277 tors. eta vs tors. theta energy: 8.219 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: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -794.480363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.480363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.480363 (E_RNA) where: Base-Base interactions energy: -379.278 where: short stacking energy: -226.385 Base-Backbone interact. energy: 3.282 local terms energy: -418.484629 where: bonds (distance) C4'-P energy: -131.722 bonds (distance) P-C4' energy: -126.491 flat angles C4'-P-C4' energy: -101.159 flat angles P-C4'-P energy: -71.210 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: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2765.244575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.244575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.244575 (E_RNA) where: Base-Base interactions energy: -1915.269 where: short stacking energy: -818.224 Base-Backbone interact. energy: -1.681 local terms energy: -848.294773 where: bonds (distance) C4'-P energy: -158.511 bonds (distance) P-C4' energy: -150.036 flat angles C4'-P-C4' energy: -176.708 flat angles P-C4'-P energy: -127.652 tors. eta vs tors. theta energy: -235.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2676.140017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.140017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.140017 (E_RNA) where: Base-Base interactions energy: -1823.477 where: short stacking energy: -777.580 Base-Backbone interact. energy: -0.561 local terms energy: -852.101841 where: bonds (distance) C4'-P energy: -151.604 bonds (distance) P-C4' energy: -169.526 flat angles C4'-P-C4' energy: -178.060 flat angles P-C4'-P energy: -121.308 tors. eta vs tors. theta energy: -231.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2513.886791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.886791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.886791 (E_RNA) where: Base-Base interactions energy: -1707.678 where: short stacking energy: -732.255 Base-Backbone interact. energy: -3.178 local terms energy: -803.031522 where: bonds (distance) C4'-P energy: -144.612 bonds (distance) P-C4' energy: -152.836 flat angles C4'-P-C4' energy: -184.135 flat angles P-C4'-P energy: -108.797 tors. eta vs tors. theta energy: -212.651 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: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2312.547033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.547033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.547033 (E_RNA) where: Base-Base interactions energy: -1522.189 where: short stacking energy: -700.545 Base-Backbone interact. energy: 1.887 local terms energy: -792.244845 where: bonds (distance) C4'-P energy: -149.577 bonds (distance) P-C4' energy: -155.594 flat angles C4'-P-C4' energy: -161.429 flat angles P-C4'-P energy: -120.461 tors. eta vs tors. theta energy: -205.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2243.557229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.557229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.557229 (E_RNA) where: Base-Base interactions energy: -1487.202 where: short stacking energy: -637.664 Base-Backbone interact. energy: -2.680 local terms energy: -753.675534 where: bonds (distance) C4'-P energy: -136.394 bonds (distance) P-C4' energy: -157.508 flat angles C4'-P-C4' energy: -165.348 flat angles P-C4'-P energy: -111.100 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: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2020.786693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.786693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.786693 (E_RNA) where: Base-Base interactions energy: -1335.155 where: short stacking energy: -565.969 Base-Backbone interact. energy: -3.315 local terms energy: -682.316226 where: bonds (distance) C4'-P energy: -149.658 bonds (distance) P-C4' energy: -154.581 flat angles C4'-P-C4' energy: -153.248 flat angles P-C4'-P energy: -88.261 tors. eta vs tors. theta energy: -136.568 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: 193 Temperature: 1.200000 Total energy: -1722.076173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.076173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.076173 (E_RNA) where: Base-Base interactions energy: -1088.267 where: short stacking energy: -491.774 Base-Backbone interact. energy: -2.147 local terms energy: -631.662030 where: bonds (distance) C4'-P energy: -150.868 bonds (distance) P-C4' energy: -129.584 flat angles C4'-P-C4' energy: -147.624 flat angles P-C4'-P energy: -90.821 tors. eta vs tors. theta energy: -112.765 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: 1 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1324.809462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.809462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.809462 (E_RNA) where: Base-Base interactions energy: -802.847 where: short stacking energy: -394.730 Base-Backbone interact. energy: -2.586 local terms energy: -519.376365 where: bonds (distance) C4'-P energy: -123.692 bonds (distance) P-C4' energy: -131.922 flat angles C4'-P-C4' energy: -121.719 flat angles P-C4'-P energy: -83.699 tors. eta vs tors. theta energy: -58.344 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: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -949.504315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.504315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.504315 (E_RNA) where: Base-Base interactions energy: -496.243 where: short stacking energy: -248.769 Base-Backbone interact. energy: 2.448 local terms energy: -455.708754 where: bonds (distance) C4'-P energy: -147.296 bonds (distance) P-C4' energy: -141.255 flat angles C4'-P-C4' energy: -72.842 flat angles P-C4'-P energy: -79.164 tors. eta vs tors. theta energy: -15.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -794.138308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.138308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.138308 (E_RNA) where: Base-Base interactions energy: -375.887 where: short stacking energy: -227.326 Base-Backbone interact. energy: -4.016 local terms energy: -414.235476 where: bonds (distance) C4'-P energy: -118.421 bonds (distance) P-C4' energy: -107.067 flat angles C4'-P-C4' energy: -127.452 flat angles P-C4'-P energy: -79.051 tors. eta vs tors. theta energy: 17.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2775.135338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.135338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.135338 (E_RNA) where: Base-Base interactions energy: -1903.342 where: short stacking energy: -829.274 Base-Backbone interact. energy: -1.809 local terms energy: -869.984980 where: bonds (distance) C4'-P energy: -160.284 bonds (distance) P-C4' energy: -152.808 flat angles C4'-P-C4' energy: -197.540 flat angles P-C4'-P energy: -123.666 tors. eta vs tors. theta energy: -235.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2657.361877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.361877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.361877 (E_RNA) where: Base-Base interactions energy: -1808.847 where: short stacking energy: -776.527 Base-Backbone interact. energy: -3.962 local terms energy: -844.553362 where: bonds (distance) C4'-P energy: -166.212 bonds (distance) P-C4' energy: -155.718 flat angles C4'-P-C4' energy: -192.050 flat angles P-C4'-P energy: -107.991 tors. eta vs tors. theta energy: -222.583 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: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2556.394877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.394877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.394877 (E_RNA) where: Base-Base interactions energy: -1694.545 where: short stacking energy: -715.519 Base-Backbone interact. energy: -7.160 local terms energy: -854.689858 where: bonds (distance) C4'-P energy: -152.200 bonds (distance) P-C4' energy: -175.475 flat angles C4'-P-C4' energy: -196.302 flat angles P-C4'-P energy: -117.091 tors. eta vs tors. theta energy: -213.623 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: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2337.694037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.694037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.694037 (E_RNA) where: Base-Base interactions energy: -1543.298 where: short stacking energy: -690.184 Base-Backbone interact. energy: -4.446 local terms energy: -789.950274 where: bonds (distance) C4'-P energy: -153.935 bonds (distance) P-C4' energy: -155.616 flat angles C4'-P-C4' energy: -173.469 flat angles P-C4'-P energy: -117.109 tors. eta vs tors. theta energy: -189.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2217.174433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.174433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.174433 (E_RNA) where: Base-Base interactions energy: -1489.576 where: short stacking energy: -635.145 Base-Backbone interact. energy: -2.488 local terms energy: -725.110276 where: bonds (distance) C4'-P energy: -130.445 bonds (distance) P-C4' energy: -138.388 flat angles C4'-P-C4' energy: -165.982 flat angles P-C4'-P energy: -117.901 tors. eta vs tors. theta energy: -172.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2005.000353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.000353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.000353 (E_RNA) where: Base-Base interactions energy: -1326.232 where: short stacking energy: -595.399 Base-Backbone interact. energy: -2.217 local terms energy: -676.551042 where: bonds (distance) C4'-P energy: -118.431 bonds (distance) P-C4' energy: -133.992 flat angles C4'-P-C4' energy: -163.155 flat angles P-C4'-P energy: -97.145 tors. eta vs tors. theta energy: -163.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1705.759855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.759855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.759855 (E_RNA) where: Base-Base interactions energy: -1088.816 where: short stacking energy: -498.222 Base-Backbone interact. energy: 1.820 local terms energy: -618.763760 where: bonds (distance) C4'-P energy: -133.955 bonds (distance) P-C4' energy: -134.700 flat angles C4'-P-C4' energy: -142.979 flat angles P-C4'-P energy: -92.964 tors. eta vs tors. theta energy: -114.166 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: 1 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1287.669654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.669654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.669654 (E_RNA) where: Base-Base interactions energy: -772.892 where: short stacking energy: -407.800 Base-Backbone interact. energy: -2.602 local terms energy: -512.175909 where: bonds (distance) C4'-P energy: -115.175 bonds (distance) P-C4' energy: -139.681 flat angles C4'-P-C4' energy: -120.902 flat angles P-C4'-P energy: -81.973 tors. eta vs tors. theta energy: -54.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -963.766860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.766860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.766860 (E_RNA) where: Base-Base interactions energy: -480.677 where: short stacking energy: -296.760 Base-Backbone interact. energy: -1.404 local terms energy: -481.685903 where: bonds (distance) C4'-P energy: -138.452 bonds (distance) P-C4' energy: -128.754 flat angles C4'-P-C4' energy: -119.746 flat angles P-C4'-P energy: -73.347 tors. eta vs tors. theta energy: -21.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -747.134969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.134969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.134969 (E_RNA) where: Base-Base interactions energy: -325.562 where: short stacking energy: -216.895 Base-Backbone interact. energy: 3.864 local terms energy: -425.437183 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -130.329 flat angles C4'-P-C4' energy: -98.111 flat angles P-C4'-P energy: -70.068 tors. eta vs tors. theta energy: 6.012 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: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2773.371458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.371458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.371458 (E_RNA) where: Base-Base interactions energy: -1896.457 where: short stacking energy: -815.585 Base-Backbone interact. energy: -0.192 local terms energy: -876.723038 where: bonds (distance) C4'-P energy: -176.472 bonds (distance) P-C4' energy: -173.668 flat angles C4'-P-C4' energy: -186.242 flat angles P-C4'-P energy: -106.712 tors. eta vs tors. theta energy: -233.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2627.333000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.333000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.333000 (E_RNA) where: Base-Base interactions energy: -1788.072 where: short stacking energy: -770.844 Base-Backbone interact. energy: -1.294 local terms energy: -837.967234 where: bonds (distance) C4'-P energy: -153.783 bonds (distance) P-C4' energy: -175.714 flat angles C4'-P-C4' energy: -166.502 flat angles P-C4'-P energy: -123.665 tors. eta vs tors. theta energy: -218.303 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: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2538.503071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.503071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.503071 (E_RNA) where: Base-Base interactions energy: -1715.865 where: short stacking energy: -734.821 Base-Backbone interact. energy: -4.584 local terms energy: -818.054351 where: bonds (distance) C4'-P energy: -150.421 bonds (distance) P-C4' energy: -169.678 flat angles C4'-P-C4' energy: -176.192 flat angles P-C4'-P energy: -108.829 tors. eta vs tors. theta energy: -212.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2281.226099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.226099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.226099 (E_RNA) where: Base-Base interactions energy: -1497.546 where: short stacking energy: -702.233 Base-Backbone interact. energy: 1.398 local terms energy: -785.077937 where: bonds (distance) C4'-P energy: -144.348 bonds (distance) P-C4' energy: -149.617 flat angles C4'-P-C4' energy: -174.482 flat angles P-C4'-P energy: -114.579 tors. eta vs tors. theta energy: -202.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2164.919426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.919426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.919426 (E_RNA) where: Base-Base interactions energy: -1417.532 where: short stacking energy: -664.271 Base-Backbone interact. energy: -4.201 local terms energy: -743.185769 where: bonds (distance) C4'-P energy: -118.183 bonds (distance) P-C4' energy: -146.986 flat angles C4'-P-C4' energy: -179.760 flat angles P-C4'-P energy: -111.005 tors. eta vs tors. theta energy: -187.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1937.511620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.511620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.511620 (E_RNA) where: Base-Base interactions energy: -1292.962 where: short stacking energy: -559.338 Base-Backbone interact. energy: 3.226 local terms energy: -647.775356 where: bonds (distance) C4'-P energy: -138.498 bonds (distance) P-C4' energy: -152.226 flat angles C4'-P-C4' energy: -135.104 flat angles P-C4'-P energy: -89.731 tors. eta vs tors. theta energy: -132.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1732.573654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.573654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.573654 (E_RNA) where: Base-Base interactions energy: -1116.854 where: short stacking energy: -468.214 Base-Backbone interact. energy: -0.807 local terms energy: -614.913286 where: bonds (distance) C4'-P energy: -138.217 bonds (distance) P-C4' energy: -137.630 flat angles C4'-P-C4' energy: -143.800 flat angles P-C4'-P energy: -82.942 tors. eta vs tors. theta energy: -112.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1325.814278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.814278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.814278 (E_RNA) where: Base-Base interactions energy: -831.318 where: short stacking energy: -353.958 Base-Backbone interact. energy: 6.990 local terms energy: -501.486155 where: bonds (distance) C4'-P energy: -134.403 bonds (distance) P-C4' energy: -123.497 flat angles C4'-P-C4' energy: -117.782 flat angles P-C4'-P energy: -87.972 tors. eta vs tors. theta energy: -37.832 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: 3 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1061.119808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.119808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.119808 (E_RNA) where: Base-Base interactions energy: -546.709 where: short stacking energy: -261.176 Base-Backbone interact. energy: 1.919 local terms energy: -516.329151 where: bonds (distance) C4'-P energy: -151.949 bonds (distance) P-C4' energy: -149.160 flat angles C4'-P-C4' energy: -121.597 flat angles P-C4'-P energy: -78.111 tors. eta vs tors. theta energy: -15.512 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: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -763.938942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.938942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.938942 (E_RNA) where: Base-Base interactions energy: -347.777 where: short stacking energy: -208.749 Base-Backbone interact. energy: 0.142 local terms energy: -416.303600 where: bonds (distance) C4'-P energy: -125.638 bonds (distance) P-C4' energy: -122.093 flat angles C4'-P-C4' energy: -114.897 flat angles P-C4'-P energy: -62.197 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: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2787.428647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.428647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.428647 (E_RNA) where: Base-Base interactions energy: -1913.695 where: short stacking energy: -809.271 Base-Backbone interact. energy: 0.221 local terms energy: -873.954092 where: bonds (distance) C4'-P energy: -159.660 bonds (distance) P-C4' energy: -168.449 flat angles C4'-P-C4' energy: -188.480 flat angles P-C4'-P energy: -126.680 tors. eta vs tors. theta energy: -230.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2681.677021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.677021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.677021 (E_RNA) where: Base-Base interactions energy: -1797.479 where: short stacking energy: -785.342 Base-Backbone interact. energy: -2.750 local terms energy: -881.448451 where: bonds (distance) C4'-P energy: -159.383 bonds (distance) P-C4' energy: -176.070 flat angles C4'-P-C4' energy: -193.904 flat angles P-C4'-P energy: -121.909 tors. eta vs tors. theta energy: -230.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2536.757236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.757236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.757236 (E_RNA) where: Base-Base interactions energy: -1679.378 where: short stacking energy: -712.241 Base-Backbone interact. energy: -3.243 local terms energy: -854.136591 where: bonds (distance) C4'-P energy: -169.075 bonds (distance) P-C4' energy: -173.839 flat angles C4'-P-C4' energy: -187.520 flat angles P-C4'-P energy: -111.024 tors. eta vs tors. theta energy: -212.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2291.249148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.249148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.249148 (E_RNA) where: Base-Base interactions energy: -1502.114 where: short stacking energy: -688.126 Base-Backbone interact. energy: -2.761 local terms energy: -786.373666 where: bonds (distance) C4'-P energy: -155.300 bonds (distance) P-C4' energy: -159.960 flat angles C4'-P-C4' energy: -171.601 flat angles P-C4'-P energy: -106.646 tors. eta vs tors. theta energy: -192.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2163.848141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.848141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.848141 (E_RNA) where: Base-Base interactions energy: -1452.965 where: short stacking energy: -628.094 Base-Backbone interact. energy: -5.587 local terms energy: -705.296641 where: bonds (distance) C4'-P energy: -122.470 bonds (distance) P-C4' energy: -159.555 flat angles C4'-P-C4' energy: -172.106 flat angles P-C4'-P energy: -82.963 tors. eta vs tors. theta energy: -168.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1955.518317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.518317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.518317 (E_RNA) where: Base-Base interactions energy: -1291.266 where: short stacking energy: -546.051 Base-Backbone interact. energy: 0.312 local terms energy: -664.564656 where: bonds (distance) C4'-P energy: -146.388 bonds (distance) P-C4' energy: -146.056 flat angles C4'-P-C4' energy: -147.657 flat angles P-C4'-P energy: -90.242 tors. eta vs tors. theta energy: -134.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1725.952001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.952001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.952001 (E_RNA) where: Base-Base interactions energy: -1096.686 where: short stacking energy: -496.719 Base-Backbone interact. energy: 4.940 local terms energy: -634.206406 where: bonds (distance) C4'-P energy: -138.376 bonds (distance) P-C4' energy: -141.309 flat angles C4'-P-C4' energy: -150.801 flat angles P-C4'-P energy: -94.483 tors. eta vs tors. theta energy: -109.237 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: 1 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1273.224921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.224921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.224921 (E_RNA) where: Base-Base interactions energy: -760.102 where: short stacking energy: -368.531 Base-Backbone interact. energy: 7.886 local terms energy: -521.009158 where: bonds (distance) C4'-P energy: -123.354 bonds (distance) P-C4' energy: -152.824 flat angles C4'-P-C4' energy: -125.864 flat angles P-C4'-P energy: -78.963 tors. eta vs tors. theta energy: -40.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1063.005671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.005671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.005671 (E_RNA) where: Base-Base interactions energy: -605.435 where: short stacking energy: -288.901 Base-Backbone interact. energy: -0.694 local terms energy: -456.876955 where: bonds (distance) C4'-P energy: -126.842 bonds (distance) P-C4' energy: -150.177 flat angles C4'-P-C4' energy: -111.865 flat angles P-C4'-P energy: -70.046 tors. eta vs tors. theta energy: 2.052 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: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -776.748395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.748395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.748395 (E_RNA) where: Base-Base interactions energy: -375.717 where: short stacking energy: -202.213 Base-Backbone interact. energy: -0.044 local terms energy: -400.987131 where: bonds (distance) C4'-P energy: -114.622 bonds (distance) P-C4' energy: -140.993 flat angles C4'-P-C4' energy: -126.737 flat angles P-C4'-P energy: -43.849 tors. eta vs tors. theta energy: 25.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2738.084115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.084115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.084115 (E_RNA) where: Base-Base interactions energy: -1891.129 where: short stacking energy: -772.636 Base-Backbone interact. energy: -4.630 local terms energy: -842.324695 where: bonds (distance) C4'-P energy: -150.526 bonds (distance) P-C4' energy: -160.069 flat angles C4'-P-C4' energy: -187.411 flat angles P-C4'-P energy: -120.840 tors. eta vs tors. theta energy: -223.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2714.651843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.651843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.651843 (E_RNA) where: Base-Base interactions energy: -1850.338 where: short stacking energy: -803.184 Base-Backbone interact. energy: 1.474 local terms energy: -865.787950 where: bonds (distance) C4'-P energy: -154.893 bonds (distance) P-C4' energy: -155.291 flat angles C4'-P-C4' energy: -202.010 flat angles P-C4'-P energy: -117.369 tors. eta vs tors. theta energy: -236.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2523.988867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.988867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.988867 (E_RNA) where: Base-Base interactions energy: -1700.739 where: short stacking energy: -737.083 Base-Backbone interact. energy: -1.745 local terms energy: -821.504828 where: bonds (distance) C4'-P energy: -158.893 bonds (distance) P-C4' energy: -147.290 flat angles C4'-P-C4' energy: -184.021 flat angles P-C4'-P energy: -115.372 tors. eta vs tors. theta energy: -215.928 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: 197 Temperature: 1.050000 Total energy: -2293.564521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.564521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.564521 (E_RNA) where: Base-Base interactions energy: -1505.229 where: short stacking energy: -678.100 Base-Backbone interact. energy: -3.392 local terms energy: -784.943465 where: bonds (distance) C4'-P energy: -160.253 bonds (distance) P-C4' energy: -160.661 flat angles C4'-P-C4' energy: -166.211 flat angles P-C4'-P energy: -114.991 tors. eta vs tors. theta energy: -182.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2156.107424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.107424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.107424 (E_RNA) where: Base-Base interactions energy: -1441.170 where: short stacking energy: -649.158 Base-Backbone interact. energy: -2.717 local terms energy: -712.220171 where: bonds (distance) C4'-P energy: -115.131 bonds (distance) P-C4' energy: -145.045 flat angles C4'-P-C4' energy: -160.230 flat angles P-C4'-P energy: -107.070 tors. eta vs tors. theta energy: -184.744 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: 8 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1965.537905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.537905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.537905 (E_RNA) where: Base-Base interactions energy: -1287.805 where: short stacking energy: -555.350 Base-Backbone interact. energy: 0.646 local terms energy: -678.379214 where: bonds (distance) C4'-P energy: -130.118 bonds (distance) P-C4' energy: -164.377 flat angles C4'-P-C4' energy: -164.652 flat angles P-C4'-P energy: -93.813 tors. eta vs tors. theta energy: -125.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1676.855532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.855532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.855532 (E_RNA) where: Base-Base interactions energy: -1069.582 where: short stacking energy: -460.183 Base-Backbone interact. energy: 3.581 local terms energy: -610.854487 where: bonds (distance) C4'-P energy: -155.136 bonds (distance) P-C4' energy: -119.387 flat angles C4'-P-C4' energy: -150.917 flat angles P-C4'-P energy: -77.349 tors. eta vs tors. theta energy: -108.065 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: 1 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1424.645321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.645321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.645321 (E_RNA) where: Base-Base interactions energy: -868.002 where: short stacking energy: -395.353 Base-Backbone interact. energy: -0.141 local terms energy: -556.502525 where: bonds (distance) C4'-P energy: -134.875 bonds (distance) P-C4' energy: -150.650 flat angles C4'-P-C4' energy: -141.017 flat angles P-C4'-P energy: -79.147 tors. eta vs tors. theta energy: -50.813 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: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1124.694005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.694005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.694005 (E_RNA) where: Base-Base interactions energy: -616.771 where: short stacking energy: -316.588 Base-Backbone interact. energy: 2.771 local terms energy: -510.694236 where: bonds (distance) C4'-P energy: -127.164 bonds (distance) P-C4' energy: -146.560 flat angles C4'-P-C4' energy: -134.987 flat angles P-C4'-P energy: -71.460 tors. eta vs tors. theta energy: -30.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -762.343501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.343501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.343501 (E_RNA) where: Base-Base interactions energy: -385.786 where: short stacking energy: -240.147 Base-Backbone interact. energy: 0.134 local terms energy: -376.692044 where: bonds (distance) C4'-P energy: -114.183 bonds (distance) P-C4' energy: -136.289 flat angles C4'-P-C4' energy: -99.641 flat angles P-C4'-P energy: -54.807 tors. eta vs tors. theta energy: 28.227 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: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2761.314159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.314159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.314159 (E_RNA) where: Base-Base interactions energy: -1894.810 where: short stacking energy: -796.357 Base-Backbone interact. energy: -1.282 local terms energy: -865.221908 where: bonds (distance) C4'-P energy: -184.079 bonds (distance) P-C4' energy: -162.796 flat angles C4'-P-C4' energy: -184.578 flat angles P-C4'-P energy: -109.249 tors. eta vs tors. theta energy: -224.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2697.637078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.637078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.637078 (E_RNA) where: Base-Base interactions energy: -1876.010 where: short stacking energy: -794.251 Base-Backbone interact. energy: -4.394 local terms energy: -817.232554 where: bonds (distance) C4'-P energy: -156.566 bonds (distance) P-C4' energy: -138.734 flat angles C4'-P-C4' energy: -176.640 flat angles P-C4'-P energy: -112.487 tors. eta vs tors. theta energy: -232.805 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: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2518.041781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.041781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.041781 (E_RNA) where: Base-Base interactions energy: -1677.167 where: short stacking energy: -729.476 Base-Backbone interact. energy: -4.879 local terms energy: -835.995576 where: bonds (distance) C4'-P energy: -164.268 bonds (distance) P-C4' energy: -150.631 flat angles C4'-P-C4' energy: -182.773 flat angles P-C4'-P energy: -124.687 tors. eta vs tors. theta energy: -213.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2286.075805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.075805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.075805 (E_RNA) where: Base-Base interactions energy: -1518.222 where: short stacking energy: -672.411 Base-Backbone interact. energy: 0.806 local terms energy: -768.659985 where: bonds (distance) C4'-P energy: -163.819 bonds (distance) P-C4' energy: -129.202 flat angles C4'-P-C4' energy: -175.044 flat angles P-C4'-P energy: -113.613 tors. eta vs tors. theta energy: -186.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2229.646697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.646697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.646697 (E_RNA) where: Base-Base interactions energy: -1464.145 where: short stacking energy: -631.750 Base-Backbone interact. energy: 0.858 local terms energy: -766.360009 where: bonds (distance) C4'-P energy: -144.584 bonds (distance) P-C4' energy: -153.786 flat angles C4'-P-C4' energy: -176.460 flat angles P-C4'-P energy: -120.563 tors. eta vs tors. theta energy: -170.968 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: 8 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1939.415882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.415882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.415882 (E_RNA) where: Base-Base interactions energy: -1305.084 where: short stacking energy: -537.935 Base-Backbone interact. energy: -2.406 local terms energy: -631.925672 where: bonds (distance) C4'-P energy: -122.102 bonds (distance) P-C4' energy: -146.038 flat angles C4'-P-C4' energy: -151.005 flat angles P-C4'-P energy: -99.253 tors. eta vs tors. theta energy: -113.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1716.572115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.572115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.572115 (E_RNA) where: Base-Base interactions energy: -1107.449 where: short stacking energy: -477.158 Base-Backbone interact. energy: -2.779 local terms energy: -606.344274 where: bonds (distance) C4'-P energy: -125.284 bonds (distance) P-C4' energy: -130.368 flat angles C4'-P-C4' energy: -153.823 flat angles P-C4'-P energy: -90.577 tors. eta vs tors. theta energy: -106.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1398.825401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.825401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.825401 (E_RNA) where: Base-Base interactions energy: -856.543 where: short stacking energy: -409.955 Base-Backbone interact. energy: 1.215 local terms energy: -543.497834 where: bonds (distance) C4'-P energy: -129.339 bonds (distance) P-C4' energy: -132.295 flat angles C4'-P-C4' energy: -132.452 flat angles P-C4'-P energy: -83.778 tors. eta vs tors. theta energy: -65.633 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: 3 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1146.148133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.148133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.148133 (E_RNA) where: Base-Base interactions energy: -699.678 where: short stacking energy: -330.917 Base-Backbone interact. energy: 3.013 local terms energy: -449.483176 where: bonds (distance) C4'-P energy: -133.651 bonds (distance) P-C4' energy: -122.660 flat angles C4'-P-C4' energy: -117.474 flat angles P-C4'-P energy: -49.360 tors. eta vs tors. theta energy: -26.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -792.047318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.047318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.047318 (E_RNA) where: Base-Base interactions energy: -355.534 where: short stacking energy: -223.047 Base-Backbone interact. energy: 6.212 local terms energy: -442.725396 where: bonds (distance) C4'-P energy: -122.041 bonds (distance) P-C4' energy: -140.871 flat angles C4'-P-C4' energy: -112.343 flat angles P-C4'-P energy: -61.978 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2763.994037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.994037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.994037 (E_RNA) where: Base-Base interactions energy: -1892.698 where: short stacking energy: -804.556 Base-Backbone interact. energy: -3.051 local terms energy: -868.245901 where: bonds (distance) C4'-P energy: -153.414 bonds (distance) P-C4' energy: -159.875 flat angles C4'-P-C4' energy: -186.906 flat angles P-C4'-P energy: -131.111 tors. eta vs tors. theta energy: -236.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2673.201729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.201729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.201729 (E_RNA) where: Base-Base interactions energy: -1823.999 where: short stacking energy: -758.658 Base-Backbone interact. energy: 2.923 local terms energy: -852.126300 where: bonds (distance) C4'-P energy: -139.904 bonds (distance) P-C4' energy: -171.209 flat angles C4'-P-C4' energy: -184.515 flat angles P-C4'-P energy: -128.112 tors. eta vs tors. theta energy: -228.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2536.387878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.387878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.387878 (E_RNA) where: Base-Base interactions energy: -1710.012 where: short stacking energy: -741.705 Base-Backbone interact. energy: -2.912 local terms energy: -823.463368 where: bonds (distance) C4'-P energy: -154.188 bonds (distance) P-C4' energy: -170.411 flat angles C4'-P-C4' energy: -171.626 flat angles P-C4'-P energy: -106.233 tors. eta vs tors. theta energy: -221.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2302.380704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.380704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.380704 (E_RNA) where: Base-Base interactions energy: -1515.489 where: short stacking energy: -698.246 Base-Backbone interact. energy: -0.755 local terms energy: -786.136722 where: bonds (distance) C4'-P energy: -148.327 bonds (distance) P-C4' energy: -167.125 flat angles C4'-P-C4' energy: -171.256 flat angles P-C4'-P energy: -115.421 tors. eta vs tors. theta energy: -184.009 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: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2195.437820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.437820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.437820 (E_RNA) where: Base-Base interactions energy: -1458.095 where: short stacking energy: -650.320 Base-Backbone interact. energy: -3.055 local terms energy: -734.287999 where: bonds (distance) C4'-P energy: -156.097 bonds (distance) P-C4' energy: -155.253 flat angles C4'-P-C4' energy: -163.660 flat angles P-C4'-P energy: -83.091 tors. eta vs tors. theta energy: -176.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1940.215127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.215127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.215127 (E_RNA) where: Base-Base interactions energy: -1276.699 where: short stacking energy: -559.810 Base-Backbone interact. energy: -3.384 local terms energy: -660.131531 where: bonds (distance) C4'-P energy: -151.457 bonds (distance) P-C4' energy: -116.308 flat angles C4'-P-C4' energy: -152.616 flat angles P-C4'-P energy: -100.065 tors. eta vs tors. theta energy: -139.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1755.147177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.147177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.147177 (E_RNA) where: Base-Base interactions energy: -1134.586 where: short stacking energy: -499.064 Base-Backbone interact. energy: -2.004 local terms energy: -618.557017 where: bonds (distance) C4'-P energy: -139.467 bonds (distance) P-C4' energy: -121.508 flat angles C4'-P-C4' energy: -138.491 flat angles P-C4'-P energy: -96.811 tors. eta vs tors. theta energy: -122.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1209.933908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.933908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.933908 (E_RNA) where: Base-Base interactions energy: -706.671 where: short stacking energy: -316.862 Base-Backbone interact. energy: -1.299 local terms energy: -501.963492 where: bonds (distance) C4'-P energy: -124.173 bonds (distance) P-C4' energy: -139.063 flat angles C4'-P-C4' energy: -136.640 flat angles P-C4'-P energy: -74.234 tors. eta vs tors. theta energy: -27.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1086.548029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.548029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.548029 (E_RNA) where: Base-Base interactions energy: -624.988 where: short stacking energy: -307.478 Base-Backbone interact. energy: 3.950 local terms energy: -465.509521 where: bonds (distance) C4'-P energy: -118.182 bonds (distance) P-C4' energy: -141.106 flat angles C4'-P-C4' energy: -114.909 flat angles P-C4'-P energy: -84.462 tors. eta vs tors. theta energy: -6.851 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: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -794.412700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.412700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.412700 (E_RNA) where: Base-Base interactions energy: -386.661 where: short stacking energy: -200.214 Base-Backbone interact. energy: 4.280 local terms energy: -412.031412 where: bonds (distance) C4'-P energy: -143.957 bonds (distance) P-C4' energy: -149.002 flat angles C4'-P-C4' energy: -86.239 flat angles P-C4'-P energy: -71.762 tors. eta vs tors. theta energy: 38.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2758.563446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.563446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.563446 (E_RNA) where: Base-Base interactions energy: -1906.211 where: short stacking energy: -810.847 Base-Backbone interact. energy: -1.460 local terms energy: -850.892379 where: bonds (distance) C4'-P energy: -151.516 bonds (distance) P-C4' energy: -166.406 flat angles C4'-P-C4' energy: -181.403 flat angles P-C4'-P energy: -112.509 tors. eta vs tors. theta energy: -239.058 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: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2684.806488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.806488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.806488 (E_RNA) where: Base-Base interactions energy: -1848.737 where: short stacking energy: -799.313 Base-Backbone interact. energy: -6.258 local terms energy: -829.811782 where: bonds (distance) C4'-P energy: -157.246 bonds (distance) P-C4' energy: -162.985 flat angles C4'-P-C4' energy: -169.304 flat angles P-C4'-P energy: -102.683 tors. eta vs tors. theta energy: -237.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2517.744568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.744568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.744568 (E_RNA) where: Base-Base interactions energy: -1689.449 where: short stacking energy: -739.897 Base-Backbone interact. energy: -0.488 local terms energy: -827.807476 where: bonds (distance) C4'-P energy: -147.374 bonds (distance) P-C4' energy: -154.407 flat angles C4'-P-C4' energy: -175.826 flat angles P-C4'-P energy: -128.671 tors. eta vs tors. theta energy: -221.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2312.862867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.862867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.862867 (E_RNA) where: Base-Base interactions energy: -1520.479 where: short stacking energy: -685.172 Base-Backbone interact. energy: -3.306 local terms energy: -789.077722 where: bonds (distance) C4'-P energy: -148.096 bonds (distance) P-C4' energy: -162.904 flat angles C4'-P-C4' energy: -170.835 flat angles P-C4'-P energy: -119.082 tors. eta vs tors. theta energy: -188.161 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: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2205.801156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.801156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.801156 (E_RNA) where: Base-Base interactions energy: -1469.038 where: short stacking energy: -650.775 Base-Backbone interact. energy: 2.394 local terms energy: -739.157011 where: bonds (distance) C4'-P energy: -143.660 bonds (distance) P-C4' energy: -147.866 flat angles C4'-P-C4' energy: -167.150 flat angles P-C4'-P energy: -107.181 tors. eta vs tors. theta energy: -173.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1960.004028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.004028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.004028 (E_RNA) where: Base-Base interactions energy: -1308.316 where: short stacking energy: -563.373 Base-Backbone interact. energy: -0.103 local terms energy: -651.585260 where: bonds (distance) C4'-P energy: -127.686 bonds (distance) P-C4' energy: -146.187 flat angles C4'-P-C4' energy: -143.409 flat angles P-C4'-P energy: -83.977 tors. eta vs tors. theta energy: -150.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1730.948956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.948956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.948956 (E_RNA) where: Base-Base interactions energy: -1107.684 where: short stacking energy: -480.524 Base-Backbone interact. energy: -1.068 local terms energy: -622.197379 where: bonds (distance) C4'-P energy: -121.114 bonds (distance) P-C4' energy: -152.304 flat angles C4'-P-C4' energy: -140.909 flat angles P-C4'-P energy: -88.733 tors. eta vs tors. theta energy: -119.137 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: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1243.224717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.224717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.224717 (E_RNA) where: Base-Base interactions energy: -753.332 where: short stacking energy: -353.489 Base-Backbone interact. energy: 2.182 local terms energy: -492.073974 where: bonds (distance) C4'-P energy: -129.760 bonds (distance) P-C4' energy: -140.524 flat angles C4'-P-C4' energy: -132.735 flat angles P-C4'-P energy: -74.002 tors. eta vs tors. theta energy: -15.052 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: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1077.610713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.610713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.610713 (E_RNA) where: Base-Base interactions energy: -589.320 where: short stacking energy: -309.463 Base-Backbone interact. energy: 10.444 local terms energy: -498.734397 where: bonds (distance) C4'-P energy: -126.497 bonds (distance) P-C4' energy: -127.482 flat angles C4'-P-C4' energy: -139.779 flat angles P-C4'-P energy: -81.710 tors. eta vs tors. theta energy: -23.266 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: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -794.389537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.389537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.389537 (E_RNA) where: Base-Base interactions energy: -365.348 where: short stacking energy: -206.520 Base-Backbone interact. energy: -0.145 local terms energy: -428.896548 where: bonds (distance) C4'-P energy: -126.374 bonds (distance) P-C4' energy: -141.368 flat angles C4'-P-C4' energy: -130.790 flat angles P-C4'-P energy: -54.436 tors. eta vs tors. theta energy: 24.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2752.453631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.453631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.453631 (E_RNA) where: Base-Base interactions energy: -1884.506 where: short stacking energy: -779.242 Base-Backbone interact. energy: -4.102 local terms energy: -863.845122 where: bonds (distance) C4'-P energy: -163.188 bonds (distance) P-C4' energy: -175.572 flat angles C4'-P-C4' energy: -189.175 flat angles P-C4'-P energy: -116.883 tors. eta vs tors. theta energy: -219.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2685.376619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.376619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.376619 (E_RNA) where: Base-Base interactions energy: -1808.667 where: short stacking energy: -811.318 Base-Backbone interact. energy: -5.296 local terms energy: -871.413562 where: bonds (distance) C4'-P energy: -171.192 bonds (distance) P-C4' energy: -162.575 flat angles C4'-P-C4' energy: -179.345 flat angles P-C4'-P energy: -114.341 tors. eta vs tors. theta energy: -243.961 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: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2518.601840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.601840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.601840 (E_RNA) where: Base-Base interactions energy: -1695.799 where: short stacking energy: -728.053 Base-Backbone interact. energy: 2.262 local terms energy: -825.064701 where: bonds (distance) C4'-P energy: -158.758 bonds (distance) P-C4' energy: -153.948 flat angles C4'-P-C4' energy: -179.698 flat angles P-C4'-P energy: -119.989 tors. eta vs tors. theta energy: -212.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2244.214318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.214318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.214318 (E_RNA) where: Base-Base interactions energy: -1489.596 where: short stacking energy: -678.533 Base-Backbone interact. energy: -3.872 local terms energy: -750.745815 where: bonds (distance) C4'-P energy: -147.407 bonds (distance) P-C4' energy: -145.278 flat angles C4'-P-C4' energy: -174.299 flat angles P-C4'-P energy: -112.068 tors. eta vs tors. theta energy: -171.694 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: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2190.633775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.633775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.633775 (E_RNA) where: Base-Base interactions energy: -1469.797 where: short stacking energy: -650.795 Base-Backbone interact. energy: 3.785 local terms energy: -724.621887 where: bonds (distance) C4'-P energy: -150.971 bonds (distance) P-C4' energy: -152.747 flat angles C4'-P-C4' energy: -164.004 flat angles P-C4'-P energy: -92.842 tors. eta vs tors. theta energy: -164.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1920.961079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.961079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.961079 (E_RNA) where: Base-Base interactions energy: -1269.190 where: short stacking energy: -548.877 Base-Backbone interact. energy: 0.794 local terms energy: -652.565065 where: bonds (distance) C4'-P energy: -134.734 bonds (distance) P-C4' energy: -155.605 flat angles C4'-P-C4' energy: -133.011 flat angles P-C4'-P energy: -84.286 tors. eta vs tors. theta energy: -144.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1756.997439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.997439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.997439 (E_RNA) where: Base-Base interactions energy: -1095.622 where: short stacking energy: -492.086 Base-Backbone interact. energy: 2.962 local terms energy: -664.337147 where: bonds (distance) C4'-P energy: -133.814 bonds (distance) P-C4' energy: -160.330 flat angles C4'-P-C4' energy: -147.647 flat angles P-C4'-P energy: -109.410 tors. eta vs tors. theta energy: -113.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1244.755520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.755520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.755520 (E_RNA) where: Base-Base interactions energy: -728.480 where: short stacking energy: -350.072 Base-Backbone interact. energy: -1.807 local terms energy: -514.468269 where: bonds (distance) C4'-P energy: -122.155 bonds (distance) P-C4' energy: -161.351 flat angles C4'-P-C4' energy: -128.534 flat angles P-C4'-P energy: -75.739 tors. eta vs tors. theta energy: -26.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1075.519773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.519773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.519773 (E_RNA) where: Base-Base interactions energy: -585.844 where: short stacking energy: -319.034 Base-Backbone interact. energy: -4.174 local terms energy: -485.501772 where: bonds (distance) C4'-P energy: -129.490 bonds (distance) P-C4' energy: -114.129 flat angles C4'-P-C4' energy: -138.383 flat angles P-C4'-P energy: -85.211 tors. eta vs tors. theta energy: -18.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -767.485156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.485156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.485156 (E_RNA) where: Base-Base interactions energy: -313.084 where: short stacking energy: -186.262 Base-Backbone interact. energy: -3.015 local terms energy: -451.386437 where: bonds (distance) C4'-P energy: -136.542 bonds (distance) P-C4' energy: -149.529 flat angles C4'-P-C4' energy: -122.334 flat angles P-C4'-P energy: -64.643 tors. eta vs tors. theta energy: 21.661 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: 1, replica: 6 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2759.721906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.721906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.721906 (E_RNA) where: Base-Base interactions energy: -1869.757 where: short stacking energy: -779.265 Base-Backbone interact. energy: -1.085 local terms energy: -888.880217 where: bonds (distance) C4'-P energy: -170.211 bonds (distance) P-C4' energy: -170.168 flat angles C4'-P-C4' energy: -192.968 flat angles P-C4'-P energy: -129.609 tors. eta vs tors. theta energy: -225.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2674.848427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.848427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.848427 (E_RNA) where: Base-Base interactions energy: -1816.853 where: short stacking energy: -825.684 Base-Backbone interact. energy: -1.674 local terms energy: -856.321366 where: bonds (distance) C4'-P energy: -141.107 bonds (distance) P-C4' energy: -163.066 flat angles C4'-P-C4' energy: -181.536 flat angles P-C4'-P energy: -121.727 tors. eta vs tors. theta energy: -248.886 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: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2490.941591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.941591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.941591 (E_RNA) where: Base-Base interactions energy: -1660.448 where: short stacking energy: -737.172 Base-Backbone interact. energy: -4.207 local terms energy: -826.286547 where: bonds (distance) C4'-P energy: -151.654 bonds (distance) P-C4' energy: -170.912 flat angles C4'-P-C4' energy: -174.698 flat angles P-C4'-P energy: -108.071 tors. eta vs tors. theta energy: -220.952 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: 202 Temperature: 1.050000 Total energy: -2298.975170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.975170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.975170 (E_RNA) where: Base-Base interactions energy: -1516.511 where: short stacking energy: -687.956 Base-Backbone interact. energy: -1.926 local terms energy: -780.538144 where: bonds (distance) C4'-P energy: -141.948 bonds (distance) P-C4' energy: -159.382 flat angles C4'-P-C4' energy: -165.240 flat angles P-C4'-P energy: -113.066 tors. eta vs tors. theta energy: -200.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2245.144835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.144835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.144835 (E_RNA) where: Base-Base interactions energy: -1491.468 where: short stacking energy: -671.392 Base-Backbone interact. energy: -2.298 local terms energy: -751.378203 where: bonds (distance) C4'-P energy: -138.342 bonds (distance) P-C4' energy: -170.313 flat angles C4'-P-C4' energy: -159.568 flat angles P-C4'-P energy: -103.385 tors. eta vs tors. theta energy: -179.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1916.440088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.440088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.440088 (E_RNA) where: Base-Base interactions energy: -1273.220 where: short stacking energy: -514.451 Base-Backbone interact. energy: 6.178 local terms energy: -649.397510 where: bonds (distance) C4'-P energy: -123.174 bonds (distance) P-C4' energy: -156.279 flat angles C4'-P-C4' energy: -146.855 flat angles P-C4'-P energy: -108.471 tors. eta vs tors. theta energy: -114.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1767.176654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.176654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.176654 (E_RNA) where: Base-Base interactions energy: -1164.989 where: short stacking energy: -484.578 Base-Backbone interact. energy: -2.070 local terms energy: -600.117401 where: bonds (distance) C4'-P energy: -136.946 bonds (distance) P-C4' energy: -122.176 flat angles C4'-P-C4' energy: -150.963 flat angles P-C4'-P energy: -78.445 tors. eta vs tors. theta energy: -111.587 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: 8, replica: 1 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1292.667956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.667956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.667956 (E_RNA) where: Base-Base interactions energy: -776.267 where: short stacking energy: -368.072 Base-Backbone interact. energy: -3.353 local terms energy: -513.048000 where: bonds (distance) C4'-P energy: -161.177 bonds (distance) P-C4' energy: -123.025 flat angles C4'-P-C4' energy: -130.641 flat angles P-C4'-P energy: -55.583 tors. eta vs tors. theta energy: -42.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1089.719647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.719647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.719647 (E_RNA) where: Base-Base interactions energy: -613.340 where: short stacking energy: -289.561 Base-Backbone interact. energy: 2.810 local terms energy: -479.189692 where: bonds (distance) C4'-P energy: -141.026 bonds (distance) P-C4' energy: -128.311 flat angles C4'-P-C4' energy: -129.346 flat angles P-C4'-P energy: -76.379 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -801.139362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.139362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.139362 (E_RNA) where: Base-Base interactions energy: -386.334 where: short stacking energy: -238.742 Base-Backbone interact. energy: 5.335 local terms energy: -420.141049 where: bonds (distance) C4'-P energy: -134.537 bonds (distance) P-C4' energy: -143.696 flat angles C4'-P-C4' energy: -96.352 flat angles P-C4'-P energy: -50.785 tors. eta vs tors. theta energy: 5.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2767.354198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.354198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.354198 (E_RNA) where: Base-Base interactions energy: -1897.792 where: short stacking energy: -789.764 Base-Backbone interact. energy: -2.013 local terms energy: -867.550067 where: bonds (distance) C4'-P energy: -156.515 bonds (distance) P-C4' energy: -159.870 flat angles C4'-P-C4' energy: -194.624 flat angles P-C4'-P energy: -131.390 tors. eta vs tors. theta energy: -225.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2642.048462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.048462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.048462 (E_RNA) where: Base-Base interactions energy: -1792.516 where: short stacking energy: -763.329 Base-Backbone interact. energy: -3.147 local terms energy: -846.384643 where: bonds (distance) C4'-P energy: -162.127 bonds (distance) P-C4' energy: -147.840 flat angles C4'-P-C4' energy: -188.884 flat angles P-C4'-P energy: -119.827 tors. eta vs tors. theta energy: -227.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2497.690475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.690475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.690475 (E_RNA) where: Base-Base interactions energy: -1702.980 where: short stacking energy: -750.980 Base-Backbone interact. energy: -8.378 local terms energy: -786.332063 where: bonds (distance) C4'-P energy: -136.427 bonds (distance) P-C4' energy: -147.977 flat angles C4'-P-C4' energy: -184.783 flat angles P-C4'-P energy: -107.672 tors. eta vs tors. theta energy: -209.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2330.590794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.590794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.590794 (E_RNA) where: Base-Base interactions energy: -1533.668 where: short stacking energy: -687.800 Base-Backbone interact. energy: -5.060 local terms energy: -791.862679 where: bonds (distance) C4'-P energy: -150.875 bonds (distance) P-C4' energy: -162.413 flat angles C4'-P-C4' energy: -177.078 flat angles P-C4'-P energy: -110.879 tors. eta vs tors. theta energy: -190.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2214.979779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.979779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.979779 (E_RNA) where: Base-Base interactions energy: -1449.956 where: short stacking energy: -644.380 Base-Backbone interact. energy: -4.714 local terms energy: -760.309842 where: bonds (distance) C4'-P energy: -149.566 bonds (distance) P-C4' energy: -157.279 flat angles C4'-P-C4' energy: -158.030 flat angles P-C4'-P energy: -110.951 tors. eta vs tors. theta energy: -184.483 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: 6, replica: 8 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1987.746381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.746381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.746381 (E_RNA) where: Base-Base interactions energy: -1337.172 where: short stacking energy: -587.555 Base-Backbone interact. energy: -2.270 local terms energy: -648.304014 where: bonds (distance) C4'-P energy: -94.729 bonds (distance) P-C4' energy: -145.786 flat angles C4'-P-C4' energy: -166.890 flat angles P-C4'-P energy: -95.611 tors. eta vs tors. theta energy: -145.288 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: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1725.957282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.957282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.957282 (E_RNA) where: Base-Base interactions energy: -1098.269 where: short stacking energy: -510.216 Base-Backbone interact. energy: -1.414 local terms energy: -626.274364 where: bonds (distance) C4'-P energy: -147.916 bonds (distance) P-C4' energy: -124.739 flat angles C4'-P-C4' energy: -144.903 flat angles P-C4'-P energy: -91.287 tors. eta vs tors. theta energy: -117.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1244.471806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.471806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.471806 (E_RNA) where: Base-Base interactions energy: -727.448 where: short stacking energy: -350.412 Base-Backbone interact. energy: 2.887 local terms energy: -519.911072 where: bonds (distance) C4'-P energy: -134.961 bonds (distance) P-C4' energy: -120.894 flat angles C4'-P-C4' energy: -140.781 flat angles P-C4'-P energy: -90.804 tors. eta vs tors. theta energy: -32.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1165.099860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.099860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.099860 (E_RNA) where: Base-Base interactions energy: -693.623 where: short stacking energy: -325.474 Base-Backbone interact. energy: -3.185 local terms energy: -468.291926 where: bonds (distance) C4'-P energy: -117.491 bonds (distance) P-C4' energy: -162.654 flat angles C4'-P-C4' energy: -100.599 flat angles P-C4'-P energy: -68.131 tors. eta vs tors. theta energy: -19.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -847.874954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.874954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.874954 (E_RNA) where: Base-Base interactions energy: -411.893 where: short stacking energy: -243.861 Base-Backbone interact. energy: -1.510 local terms energy: -434.472702 where: bonds (distance) C4'-P energy: -113.748 bonds (distance) P-C4' energy: -127.019 flat angles C4'-P-C4' energy: -132.597 flat angles P-C4'-P energy: -64.598 tors. eta vs tors. theta energy: 3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2769.958272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.958272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.958272 (E_RNA) where: Base-Base interactions energy: -1895.291 where: short stacking energy: -793.599 Base-Backbone interact. energy: -4.167 local terms energy: -870.500570 where: bonds (distance) C4'-P energy: -177.600 bonds (distance) P-C4' energy: -154.175 flat angles C4'-P-C4' energy: -196.498 flat angles P-C4'-P energy: -113.457 tors. eta vs tors. theta energy: -228.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2667.240159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.240159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.240159 (E_RNA) where: Base-Base interactions energy: -1813.654 where: short stacking energy: -776.367 Base-Backbone interact. energy: -2.635 local terms energy: -850.950525 where: bonds (distance) C4'-P energy: -162.800 bonds (distance) P-C4' energy: -174.876 flat angles C4'-P-C4' energy: -182.244 flat angles P-C4'-P energy: -114.332 tors. eta vs tors. theta energy: -216.698 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: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2504.822787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.822787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.822787 (E_RNA) where: Base-Base interactions energy: -1685.517 where: short stacking energy: -761.143 Base-Backbone interact. energy: -2.300 local terms energy: -817.005486 where: bonds (distance) C4'-P energy: -147.482 bonds (distance) P-C4' energy: -160.238 flat angles C4'-P-C4' energy: -163.799 flat angles P-C4'-P energy: -134.523 tors. eta vs tors. theta energy: -210.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2380.749616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.749616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.749616 (E_RNA) where: Base-Base interactions energy: -1595.004 where: short stacking energy: -707.326 Base-Backbone interact. energy: -4.371 local terms energy: -781.375281 where: bonds (distance) C4'-P energy: -123.886 bonds (distance) P-C4' energy: -157.795 flat angles C4'-P-C4' energy: -184.179 flat angles P-C4'-P energy: -115.393 tors. eta vs tors. theta energy: -200.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2245.953310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.953310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.953310 (E_RNA) where: Base-Base interactions energy: -1484.948 where: short stacking energy: -680.923 Base-Backbone interact. energy: -3.892 local terms energy: -757.113254 where: bonds (distance) C4'-P energy: -141.417 bonds (distance) P-C4' energy: -152.122 flat angles C4'-P-C4' energy: -168.915 flat angles P-C4'-P energy: -100.488 tors. eta vs tors. theta energy: -194.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1982.029541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.029541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.029541 (E_RNA) where: Base-Base interactions energy: -1286.589 where: short stacking energy: -529.216 Base-Backbone interact. energy: -3.102 local terms energy: -692.338361 where: bonds (distance) C4'-P energy: -133.878 bonds (distance) P-C4' energy: -151.956 flat angles C4'-P-C4' energy: -170.402 flat angles P-C4'-P energy: -117.019 tors. eta vs tors. theta energy: -119.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1676.380678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.380678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.380678 (E_RNA) where: Base-Base interactions energy: -1064.928 where: short stacking energy: -450.383 Base-Backbone interact. energy: -4.087 local terms energy: -607.365206 where: bonds (distance) C4'-P energy: -148.625 bonds (distance) P-C4' energy: -144.177 flat angles C4'-P-C4' energy: -145.494 flat angles P-C4'-P energy: -86.449 tors. eta vs tors. theta energy: -82.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1311.646034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.646034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.646034 (E_RNA) where: Base-Base interactions energy: -794.503 where: short stacking energy: -383.859 Base-Backbone interact. energy: -2.995 local terms energy: -514.148031 where: bonds (distance) C4'-P energy: -106.125 bonds (distance) P-C4' energy: -147.944 flat angles C4'-P-C4' energy: -120.127 flat angles P-C4'-P energy: -81.306 tors. eta vs tors. theta energy: -58.647 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: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1179.770525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.770525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.770525 (E_RNA) where: Base-Base interactions energy: -689.625 where: short stacking energy: -322.526 Base-Backbone interact. energy: -0.756 local terms energy: -489.389047 where: bonds (distance) C4'-P energy: -124.983 bonds (distance) P-C4' energy: -131.925 flat angles C4'-P-C4' energy: -122.050 flat angles P-C4'-P energy: -74.397 tors. eta vs tors. theta energy: -36.034 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: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -820.770009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.770009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.770009 (E_RNA) where: Base-Base interactions energy: -385.555 where: short stacking energy: -228.724 Base-Backbone interact. energy: 4.912 local terms energy: -440.127682 where: bonds (distance) C4'-P energy: -137.135 bonds (distance) P-C4' energy: -142.134 flat angles C4'-P-C4' energy: -125.975 flat angles P-C4'-P energy: -55.947 tors. eta vs tors. theta energy: 21.064 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: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2766.519375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.519375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.519375 (E_RNA) where: Base-Base interactions energy: -1903.083 where: short stacking energy: -776.912 Base-Backbone interact. energy: -2.589 local terms energy: -860.847686 where: bonds (distance) C4'-P energy: -161.139 bonds (distance) P-C4' energy: -171.490 flat angles C4'-P-C4' energy: -175.789 flat angles P-C4'-P energy: -125.088 tors. eta vs tors. theta energy: -227.342 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: 2, replica: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2679.804237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.804237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.804237 (E_RNA) where: Base-Base interactions energy: -1821.192 where: short stacking energy: -787.516 Base-Backbone interact. energy: 0.055 local terms energy: -858.667726 where: bonds (distance) C4'-P energy: -151.216 bonds (distance) P-C4' energy: -170.022 flat angles C4'-P-C4' energy: -171.031 flat angles P-C4'-P energy: -119.546 tors. eta vs tors. theta energy: -246.852 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: 7 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2483.268776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.268776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.268776 (E_RNA) where: Base-Base interactions energy: -1713.557 where: short stacking energy: -726.786 Base-Backbone interact. energy: -3.335 local terms energy: -766.376891 where: bonds (distance) C4'-P energy: -124.121 bonds (distance) P-C4' energy: -141.491 flat angles C4'-P-C4' energy: -170.866 flat angles P-C4'-P energy: -119.196 tors. eta vs tors. theta energy: -210.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2362.974832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.974832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.974832 (E_RNA) where: Base-Base interactions energy: -1589.614 where: short stacking energy: -714.705 Base-Backbone interact. energy: -3.057 local terms energy: -770.304285 where: bonds (distance) C4'-P energy: -143.688 bonds (distance) P-C4' energy: -146.234 flat angles C4'-P-C4' energy: -179.510 flat angles P-C4'-P energy: -103.203 tors. eta vs tors. theta energy: -197.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2290.546493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.546493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.546493 (E_RNA) where: Base-Base interactions energy: -1546.477 where: short stacking energy: -653.290 Base-Backbone interact. energy: 1.183 local terms energy: -745.252046 where: bonds (distance) C4'-P energy: -143.989 bonds (distance) P-C4' energy: -156.328 flat angles C4'-P-C4' energy: -152.832 flat angles P-C4'-P energy: -104.976 tors. eta vs tors. theta energy: -187.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2048.715890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.715890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.715890 (E_RNA) where: Base-Base interactions energy: -1355.661 where: short stacking energy: -561.646 Base-Backbone interact. energy: -4.682 local terms energy: -688.372936 where: bonds (distance) C4'-P energy: -143.137 bonds (distance) P-C4' energy: -144.627 flat angles C4'-P-C4' energy: -147.862 flat angles P-C4'-P energy: -107.982 tors. eta vs tors. theta energy: -144.765 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: 205 Temperature: 1.200000 Total energy: -1731.501534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.501534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.501534 (E_RNA) where: Base-Base interactions energy: -1130.569 where: short stacking energy: -503.323 Base-Backbone interact. energy: -0.229 local terms energy: -600.703216 where: bonds (distance) C4'-P energy: -114.184 bonds (distance) P-C4' energy: -142.338 flat angles C4'-P-C4' energy: -144.304 flat angles P-C4'-P energy: -86.971 tors. eta vs tors. theta energy: -112.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1288.173214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.173214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.173214 (E_RNA) where: Base-Base interactions energy: -753.091 where: short stacking energy: -366.130 Base-Backbone interact. energy: 1.002 local terms energy: -536.084249 where: bonds (distance) C4'-P energy: -136.395 bonds (distance) P-C4' energy: -134.012 flat angles C4'-P-C4' energy: -144.451 flat angles P-C4'-P energy: -82.710 tors. eta vs tors. theta energy: -38.516 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: 9, replica: 3 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1170.344255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.344255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.344255 (E_RNA) where: Base-Base interactions energy: -678.581 where: short stacking energy: -334.169 Base-Backbone interact. energy: 7.466 local terms energy: -499.228833 where: bonds (distance) C4'-P energy: -121.099 bonds (distance) P-C4' energy: -147.998 flat angles C4'-P-C4' energy: -137.321 flat angles P-C4'-P energy: -64.344 tors. eta vs tors. theta energy: -28.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -768.258931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.258931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.258931 (E_RNA) where: Base-Base interactions energy: -351.995 where: short stacking energy: -219.250 Base-Backbone interact. energy: -1.248 local terms energy: -415.015304 where: bonds (distance) C4'-P energy: -128.349 bonds (distance) P-C4' energy: -119.119 flat angles C4'-P-C4' energy: -102.455 flat angles P-C4'-P energy: -78.011 tors. eta vs tors. theta energy: 12.919 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: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2763.993484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.993484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.993484 (E_RNA) where: Base-Base interactions energy: -1893.258 where: short stacking energy: -786.641 Base-Backbone interact. energy: -1.840 local terms energy: -868.894864 where: bonds (distance) C4'-P energy: -165.079 bonds (distance) P-C4' energy: -172.781 flat angles C4'-P-C4' energy: -186.496 flat angles P-C4'-P energy: -123.966 tors. eta vs tors. theta energy: -220.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2694.425185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.425185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.425185 (E_RNA) where: Base-Base interactions energy: -1830.202 where: short stacking energy: -817.132 Base-Backbone interact. energy: 0.318 local terms energy: -864.541293 where: bonds (distance) C4'-P energy: -155.247 bonds (distance) P-C4' energy: -145.213 flat angles C4'-P-C4' energy: -185.395 flat angles P-C4'-P energy: -118.622 tors. eta vs tors. theta energy: -260.064 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: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2502.435941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.435941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.435941 (E_RNA) where: Base-Base interactions energy: -1706.985 where: short stacking energy: -713.990 Base-Backbone interact. energy: 3.121 local terms energy: -798.571841 where: bonds (distance) C4'-P energy: -144.993 bonds (distance) P-C4' energy: -139.673 flat angles C4'-P-C4' energy: -180.601 flat angles P-C4'-P energy: -109.071 tors. eta vs tors. theta energy: -224.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2339.282500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.282500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.282500 (E_RNA) where: Base-Base interactions energy: -1578.434 where: short stacking energy: -716.542 Base-Backbone interact. energy: -2.882 local terms energy: -757.966019 where: bonds (distance) C4'-P energy: -140.666 bonds (distance) P-C4' energy: -145.690 flat angles C4'-P-C4' energy: -158.393 flat angles P-C4'-P energy: -106.031 tors. eta vs tors. theta energy: -207.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2290.383933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.383933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.383933 (E_RNA) where: Base-Base interactions energy: -1516.222 where: short stacking energy: -690.985 Base-Backbone interact. energy: -3.402 local terms energy: -770.760208 where: bonds (distance) C4'-P energy: -142.214 bonds (distance) P-C4' energy: -134.005 flat angles C4'-P-C4' energy: -174.079 flat angles P-C4'-P energy: -121.618 tors. eta vs tors. theta energy: -198.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2043.078098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.078098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.078098 (E_RNA) where: Base-Base interactions energy: -1357.724 where: short stacking energy: -582.454 Base-Backbone interact. energy: 6.257 local terms energy: -691.610730 where: bonds (distance) C4'-P energy: -149.679 bonds (distance) P-C4' energy: -149.677 flat angles C4'-P-C4' energy: -144.263 flat angles P-C4'-P energy: -105.946 tors. eta vs tors. theta energy: -142.046 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: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1862.483394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.483394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.483394 (E_RNA) where: Base-Base interactions energy: -1233.971 where: short stacking energy: -540.956 Base-Backbone interact. energy: 1.720 local terms energy: -630.232842 where: bonds (distance) C4'-P energy: -142.414 bonds (distance) P-C4' energy: -142.967 flat angles C4'-P-C4' energy: -128.189 flat angles P-C4'-P energy: -83.373 tors. eta vs tors. theta energy: -133.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1358.163978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.163978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.163978 (E_RNA) where: Base-Base interactions energy: -809.094 where: short stacking energy: -377.337 Base-Backbone interact. energy: 4.807 local terms energy: -553.877439 where: bonds (distance) C4'-P energy: -145.244 bonds (distance) P-C4' energy: -144.415 flat angles C4'-P-C4' energy: -126.009 flat angles P-C4'-P energy: -88.541 tors. eta vs tors. theta energy: -49.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1205.246758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.246758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.246758 (E_RNA) where: Base-Base interactions energy: -666.252 where: short stacking energy: -366.383 Base-Backbone interact. energy: -1.269 local terms energy: -537.725391 where: bonds (distance) C4'-P energy: -145.476 bonds (distance) P-C4' energy: -143.684 flat angles C4'-P-C4' energy: -125.328 flat angles P-C4'-P energy: -77.973 tors. eta vs tors. theta energy: -45.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -772.204787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.204787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.204787 (E_RNA) where: Base-Base interactions energy: -335.117 where: short stacking energy: -197.423 Base-Backbone interact. energy: 0.299 local terms energy: -437.387682 where: bonds (distance) C4'-P energy: -138.550 bonds (distance) P-C4' energy: -137.077 flat angles C4'-P-C4' energy: -132.030 flat angles P-C4'-P energy: -61.842 tors. eta vs tors. theta energy: 32.111 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: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2779.343567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.343567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.343567 (E_RNA) where: Base-Base interactions energy: -1882.254 where: short stacking energy: -815.891 Base-Backbone interact. energy: 0.424 local terms energy: -897.513650 where: bonds (distance) C4'-P energy: -166.490 bonds (distance) P-C4' energy: -161.225 flat angles C4'-P-C4' energy: -197.110 flat angles P-C4'-P energy: -136.746 tors. eta vs tors. theta energy: -235.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2671.502565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.502565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.502565 (E_RNA) where: Base-Base interactions energy: -1800.926 where: short stacking energy: -808.175 Base-Backbone interact. energy: -0.676 local terms energy: -869.900426 where: bonds (distance) C4'-P energy: -163.798 bonds (distance) P-C4' energy: -149.450 flat angles C4'-P-C4' energy: -183.480 flat angles P-C4'-P energy: -135.546 tors. eta vs tors. theta energy: -237.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2486.635378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.635378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.635378 (E_RNA) where: Base-Base interactions energy: -1641.404 where: short stacking energy: -719.630 Base-Backbone interact. energy: -4.749 local terms energy: -840.482604 where: bonds (distance) C4'-P energy: -165.667 bonds (distance) P-C4' energy: -171.991 flat angles C4'-P-C4' energy: -166.414 flat angles P-C4'-P energy: -123.682 tors. eta vs tors. theta energy: -212.729 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: 4 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2369.219191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.219191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.219191 (E_RNA) where: Base-Base interactions energy: -1573.680 where: short stacking energy: -694.685 Base-Backbone interact. energy: -3.645 local terms energy: -791.893986 where: bonds (distance) C4'-P energy: -151.867 bonds (distance) P-C4' energy: -152.234 flat angles C4'-P-C4' energy: -179.065 flat angles P-C4'-P energy: -110.754 tors. eta vs tors. theta energy: -197.974 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: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2282.412587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.412587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.412587 (E_RNA) where: Base-Base interactions energy: -1524.055 where: short stacking energy: -654.131 Base-Backbone interact. energy: -0.530 local terms energy: -757.827992 where: bonds (distance) C4'-P energy: -150.343 bonds (distance) P-C4' energy: -154.961 flat angles C4'-P-C4' energy: -159.955 flat angles P-C4'-P energy: -107.309 tors. eta vs tors. theta energy: -185.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2019.709902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.709902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.709902 (E_RNA) where: Base-Base interactions energy: -1366.318 where: short stacking energy: -571.542 Base-Backbone interact. energy: -1.522 local terms energy: -651.869235 where: bonds (distance) C4'-P energy: -135.771 bonds (distance) P-C4' energy: -143.451 flat angles C4'-P-C4' energy: -140.202 flat angles P-C4'-P energy: -101.642 tors. eta vs tors. theta energy: -130.803 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: 5 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1834.325182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.325182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.325182 (E_RNA) where: Base-Base interactions energy: -1197.302 where: short stacking energy: -495.364 Base-Backbone interact. energy: -4.238 local terms energy: -632.785083 where: bonds (distance) C4'-P energy: -138.971 bonds (distance) P-C4' energy: -159.761 flat angles C4'-P-C4' energy: -151.081 flat angles P-C4'-P energy: -81.378 tors. eta vs tors. theta energy: -101.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1340.009120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.009120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.009120 (E_RNA) where: Base-Base interactions energy: -804.509 where: short stacking energy: -339.046 Base-Backbone interact. energy: 0.163 local terms energy: -535.662999 where: bonds (distance) C4'-P energy: -145.680 bonds (distance) P-C4' energy: -138.627 flat angles C4'-P-C4' energy: -140.379 flat angles P-C4'-P energy: -71.525 tors. eta vs tors. theta energy: -39.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1207.937775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.937775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.937775 (E_RNA) where: Base-Base interactions energy: -668.581 where: short stacking energy: -327.576 Base-Backbone interact. energy: 2.127 local terms energy: -541.483741 where: bonds (distance) C4'-P energy: -120.253 bonds (distance) P-C4' energy: -148.128 flat angles C4'-P-C4' energy: -154.419 flat angles P-C4'-P energy: -85.934 tors. eta vs tors. theta energy: -32.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -779.125633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.125633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.125633 (E_RNA) where: Base-Base interactions energy: -369.162 where: short stacking energy: -213.437 Base-Backbone interact. energy: -0.602 local terms energy: -409.361001 where: bonds (distance) C4'-P energy: -113.056 bonds (distance) P-C4' energy: -137.065 flat angles C4'-P-C4' energy: -115.880 flat angles P-C4'-P energy: -60.997 tors. eta vs tors. theta energy: 17.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2795.277507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.277507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.277507 (E_RNA) where: Base-Base interactions energy: -1905.168 where: short stacking energy: -819.129 Base-Backbone interact. energy: -6.654 local terms energy: -883.455795 where: bonds (distance) C4'-P energy: -169.753 bonds (distance) P-C4' energy: -168.784 flat angles C4'-P-C4' energy: -193.950 flat angles P-C4'-P energy: -125.730 tors. eta vs tors. theta energy: -225.238 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: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2654.177847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.177847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.177847 (E_RNA) where: Base-Base interactions energy: -1802.141 where: short stacking energy: -810.423 Base-Backbone interact. energy: -3.225 local terms energy: -848.811906 where: bonds (distance) C4'-P energy: -155.490 bonds (distance) P-C4' energy: -170.655 flat angles C4'-P-C4' energy: -175.574 flat angles P-C4'-P energy: -118.751 tors. eta vs tors. theta energy: -228.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2493.738466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.738466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.738466 (E_RNA) where: Base-Base interactions energy: -1684.448 where: short stacking energy: -727.128 Base-Backbone interact. energy: 1.260 local terms energy: -810.550438 where: bonds (distance) C4'-P energy: -152.070 bonds (distance) P-C4' energy: -150.418 flat angles C4'-P-C4' energy: -182.356 flat angles P-C4'-P energy: -100.403 tors. eta vs tors. theta energy: -225.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2369.619214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.619214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.619214 (E_RNA) where: Base-Base interactions energy: -1610.690 where: short stacking energy: -703.456 Base-Backbone interact. energy: 1.535 local terms energy: -760.464161 where: bonds (distance) C4'-P energy: -142.264 bonds (distance) P-C4' energy: -143.232 flat angles C4'-P-C4' energy: -164.057 flat angles P-C4'-P energy: -119.943 tors. eta vs tors. theta energy: -190.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2261.475298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.475298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.475298 (E_RNA) where: Base-Base interactions energy: -1511.283 where: short stacking energy: -649.321 Base-Backbone interact. energy: -3.505 local terms energy: -746.687099 where: bonds (distance) C4'-P energy: -129.256 bonds (distance) P-C4' energy: -151.658 flat angles C4'-P-C4' energy: -171.427 flat angles P-C4'-P energy: -109.809 tors. eta vs tors. theta energy: -184.538 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: 6, replica: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1958.214097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.214097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.214097 (E_RNA) where: Base-Base interactions energy: -1322.125 where: short stacking energy: -544.062 Base-Backbone interact. energy: -4.266 local terms energy: -631.824062 where: bonds (distance) C4'-P energy: -147.782 bonds (distance) P-C4' energy: -141.060 flat angles C4'-P-C4' energy: -154.523 flat angles P-C4'-P energy: -64.940 tors. eta vs tors. theta energy: -123.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1819.529290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.529290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.529290 (E_RNA) where: Base-Base interactions energy: -1204.771 where: short stacking energy: -511.507 Base-Backbone interact. energy: -2.102 local terms energy: -612.656587 where: bonds (distance) C4'-P energy: -139.065 bonds (distance) P-C4' energy: -138.498 flat angles C4'-P-C4' energy: -151.290 flat angles P-C4'-P energy: -73.320 tors. eta vs tors. theta energy: -110.483 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: 1 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1329.486957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.486957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.486957 (E_RNA) where: Base-Base interactions energy: -799.557 where: short stacking energy: -373.396 Base-Backbone interact. energy: 4.181 local terms energy: -534.110667 where: bonds (distance) C4'-P energy: -133.144 bonds (distance) P-C4' energy: -136.005 flat angles C4'-P-C4' energy: -133.765 flat angles P-C4'-P energy: -86.268 tors. eta vs tors. theta energy: -44.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1163.355350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.355350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.355350 (E_RNA) where: Base-Base interactions energy: -677.241 where: short stacking energy: -322.062 Base-Backbone interact. energy: -1.341 local terms energy: -484.772718 where: bonds (distance) C4'-P energy: -137.290 bonds (distance) P-C4' energy: -135.904 flat angles C4'-P-C4' energy: -117.526 flat angles P-C4'-P energy: -67.921 tors. eta vs tors. theta energy: -26.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -793.599730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.599730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.599730 (E_RNA) where: Base-Base interactions energy: -387.340 where: short stacking energy: -227.705 Base-Backbone interact. energy: 5.273 local terms energy: -411.533344 where: bonds (distance) C4'-P energy: -133.664 bonds (distance) P-C4' energy: -129.456 flat angles C4'-P-C4' energy: -115.257 flat angles P-C4'-P energy: -59.375 tors. eta vs tors. theta energy: 26.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2788.483284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.483284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.483284 (E_RNA) where: Base-Base interactions energy: -1903.807 where: short stacking energy: -793.253 Base-Backbone interact. energy: -5.880 local terms energy: -878.796574 where: bonds (distance) C4'-P energy: -163.395 bonds (distance) P-C4' energy: -170.396 flat angles C4'-P-C4' energy: -187.131 flat angles P-C4'-P energy: -133.253 tors. eta vs tors. theta energy: -224.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2672.862529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.862529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.862529 (E_RNA) where: Base-Base interactions energy: -1819.855 where: short stacking energy: -790.998 Base-Backbone interact. energy: -4.875 local terms energy: -848.132512 where: bonds (distance) C4'-P energy: -152.795 bonds (distance) P-C4' energy: -166.545 flat angles C4'-P-C4' energy: -195.047 flat angles P-C4'-P energy: -117.696 tors. eta vs tors. theta energy: -216.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2482.099759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.099759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.099759 (E_RNA) where: Base-Base interactions energy: -1679.246 where: short stacking energy: -716.835 Base-Backbone interact. energy: -1.891 local terms energy: -800.962580 where: bonds (distance) C4'-P energy: -152.442 bonds (distance) P-C4' energy: -145.470 flat angles C4'-P-C4' energy: -182.589 flat angles P-C4'-P energy: -114.881 tors. eta vs tors. theta energy: -205.581 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: 4, replica: 2 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2343.825838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.825838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.825838 (E_RNA) where: Base-Base interactions energy: -1568.815 where: short stacking energy: -706.083 Base-Backbone interact. energy: -1.584 local terms energy: -773.426601 where: bonds (distance) C4'-P energy: -156.686 bonds (distance) P-C4' energy: -142.144 flat angles C4'-P-C4' energy: -172.679 flat angles P-C4'-P energy: -104.518 tors. eta vs tors. theta energy: -197.399 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: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2309.725218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.725218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.725218 (E_RNA) where: Base-Base interactions energy: -1557.141 where: short stacking energy: -643.140 Base-Backbone interact. energy: 1.840 local terms energy: -754.424254 where: bonds (distance) C4'-P energy: -147.708 bonds (distance) P-C4' energy: -148.664 flat angles C4'-P-C4' energy: -172.195 flat angles P-C4'-P energy: -109.454 tors. eta vs tors. theta energy: -176.403 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: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2002.617808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.617808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.617808 (E_RNA) where: Base-Base interactions energy: -1325.445 where: short stacking energy: -557.988 Base-Backbone interact. energy: -2.014 local terms energy: -675.158745 where: bonds (distance) C4'-P energy: -164.006 bonds (distance) P-C4' energy: -153.496 flat angles C4'-P-C4' energy: -147.528 flat angles P-C4'-P energy: -78.011 tors. eta vs tors. theta energy: -132.118 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: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1812.567430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.567430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.567430 (E_RNA) where: Base-Base interactions energy: -1173.374 where: short stacking energy: -511.854 Base-Backbone interact. energy: -3.102 local terms energy: -636.091200 where: bonds (distance) C4'-P energy: -135.764 bonds (distance) P-C4' energy: -142.436 flat angles C4'-P-C4' energy: -144.965 flat angles P-C4'-P energy: -103.099 tors. eta vs tors. theta energy: -109.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1434.440996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.440996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.440996 (E_RNA) where: Base-Base interactions energy: -879.779 where: short stacking energy: -404.713 Base-Backbone interact. energy: -0.443 local terms energy: -554.219384 where: bonds (distance) C4'-P energy: -131.405 bonds (distance) P-C4' energy: -132.185 flat angles C4'-P-C4' energy: -118.068 flat angles P-C4'-P energy: -88.519 tors. eta vs tors. theta energy: -84.043 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: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1112.984528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.984528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.984528 (E_RNA) where: Base-Base interactions energy: -618.019 where: short stacking energy: -311.777 Base-Backbone interact. energy: 0.585 local terms energy: -495.550523 where: bonds (distance) C4'-P energy: -121.871 bonds (distance) P-C4' energy: -140.723 flat angles C4'-P-C4' energy: -94.687 flat angles P-C4'-P energy: -105.176 tors. eta vs tors. theta energy: -33.094 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: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -787.521390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.521390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.521390 (E_RNA) where: Base-Base interactions energy: -385.769 where: short stacking energy: -201.762 Base-Backbone interact. energy: -2.367 local terms energy: -399.385735 where: bonds (distance) C4'-P energy: -152.337 bonds (distance) P-C4' energy: -112.976 flat angles C4'-P-C4' energy: -99.373 flat angles P-C4'-P energy: -52.229 tors. eta vs tors. theta energy: 17.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2792.617425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.617425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.617425 (E_RNA) where: Base-Base interactions energy: -1924.690 where: short stacking energy: -811.765 Base-Backbone interact. energy: -4.823 local terms energy: -863.103899 where: bonds (distance) C4'-P energy: -151.333 bonds (distance) P-C4' energy: -170.910 flat angles C4'-P-C4' energy: -181.699 flat angles P-C4'-P energy: -120.200 tors. eta vs tors. theta energy: -238.961 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: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2632.214321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.214321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.214321 (E_RNA) where: Base-Base interactions energy: -1786.367 where: short stacking energy: -788.740 Base-Backbone interact. energy: -6.375 local terms energy: -839.472494 where: bonds (distance) C4'-P energy: -147.038 bonds (distance) P-C4' energy: -155.373 flat angles C4'-P-C4' energy: -192.733 flat angles P-C4'-P energy: -124.214 tors. eta vs tors. theta energy: -220.115 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: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2495.259401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.259401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.259401 (E_RNA) where: Base-Base interactions energy: -1704.827 where: short stacking energy: -729.541 Base-Backbone interact. energy: -0.649 local terms energy: -789.783712 where: bonds (distance) C4'-P energy: -148.633 bonds (distance) P-C4' energy: -161.677 flat angles C4'-P-C4' energy: -174.672 flat angles P-C4'-P energy: -110.049 tors. eta vs tors. theta energy: -194.752 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: 2 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2410.405073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.405073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.405073 (E_RNA) where: Base-Base interactions energy: -1632.213 where: short stacking energy: -726.746 Base-Backbone interact. energy: -3.565 local terms energy: -774.626978 where: bonds (distance) C4'-P energy: -137.018 bonds (distance) P-C4' energy: -142.562 flat angles C4'-P-C4' energy: -172.197 flat angles P-C4'-P energy: -122.342 tors. eta vs tors. theta energy: -200.508 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: 210 Temperature: 1.100000 Total energy: -2291.661232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.661232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.661232 (E_RNA) where: Base-Base interactions energy: -1539.028 where: short stacking energy: -681.791 Base-Backbone interact. energy: 0.528 local terms energy: -753.160958 where: bonds (distance) C4'-P energy: -131.238 bonds (distance) P-C4' energy: -164.242 flat angles C4'-P-C4' energy: -153.892 flat angles P-C4'-P energy: -116.085 tors. eta vs tors. theta energy: -187.704 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: 8 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1977.702154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.702154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.702154 (E_RNA) where: Base-Base interactions energy: -1299.665 where: short stacking energy: -543.489 Base-Backbone interact. energy: 3.151 local terms energy: -681.187795 where: bonds (distance) C4'-P energy: -144.020 bonds (distance) P-C4' energy: -156.632 flat angles C4'-P-C4' energy: -163.814 flat angles P-C4'-P energy: -96.355 tors. eta vs tors. theta energy: -120.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1762.076018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.076018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.076018 (E_RNA) where: Base-Base interactions energy: -1108.779 where: short stacking energy: -500.011 Base-Backbone interact. energy: -1.895 local terms energy: -651.402397 where: bonds (distance) C4'-P energy: -126.422 bonds (distance) P-C4' energy: -160.930 flat angles C4'-P-C4' energy: -163.720 flat angles P-C4'-P energy: -90.455 tors. eta vs tors. theta energy: -109.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1463.784629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.784629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.784629 (E_RNA) where: Base-Base interactions energy: -911.792 where: short stacking energy: -407.238 Base-Backbone interact. energy: -2.191 local terms energy: -549.801010 where: bonds (distance) C4'-P energy: -139.654 bonds (distance) P-C4' energy: -147.384 flat angles C4'-P-C4' energy: -118.290 flat angles P-C4'-P energy: -64.792 tors. eta vs tors. theta energy: -79.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1059.061528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.061528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.061528 (E_RNA) where: Base-Base interactions energy: -574.075 where: short stacking energy: -290.815 Base-Backbone interact. energy: 1.601 local terms energy: -486.587521 where: bonds (distance) C4'-P energy: -136.283 bonds (distance) P-C4' energy: -149.403 flat angles C4'-P-C4' energy: -130.312 flat angles P-C4'-P energy: -70.768 tors. eta vs tors. theta energy: 0.179 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: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -841.677132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.677132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.677132 (E_RNA) where: Base-Base interactions energy: -428.459 where: short stacking energy: -217.545 Base-Backbone interact. energy: 5.022 local terms energy: -418.239826 where: bonds (distance) C4'-P energy: -139.026 bonds (distance) P-C4' energy: -128.312 flat angles C4'-P-C4' energy: -99.273 flat angles P-C4'-P energy: -71.587 tors. eta vs tors. theta energy: 19.958 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: 6 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2759.112644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.112644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.112644 (E_RNA) where: Base-Base interactions energy: -1887.224 where: short stacking energy: -784.970 Base-Backbone interact. energy: -5.817 local terms energy: -866.072016 where: bonds (distance) C4'-P energy: -171.023 bonds (distance) P-C4' energy: -163.040 flat angles C4'-P-C4' energy: -202.861 flat angles P-C4'-P energy: -107.553 tors. eta vs tors. theta energy: -221.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2680.566024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.566024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.566024 (E_RNA) where: Base-Base interactions energy: -1831.605 where: short stacking energy: -783.165 Base-Backbone interact. energy: 3.580 local terms energy: -852.541579 where: bonds (distance) C4'-P energy: -158.803 bonds (distance) P-C4' energy: -163.853 flat angles C4'-P-C4' energy: -178.821 flat angles P-C4'-P energy: -129.725 tors. eta vs tors. theta energy: -221.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2500.483044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.483044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.483044 (E_RNA) where: Base-Base interactions energy: -1684.591 where: short stacking energy: -709.182 Base-Backbone interact. energy: 1.203 local terms energy: -817.095074 where: bonds (distance) C4'-P energy: -153.136 bonds (distance) P-C4' energy: -170.726 flat angles C4'-P-C4' energy: -184.999 flat angles P-C4'-P energy: -116.492 tors. eta vs tors. theta energy: -191.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2412.535829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.535829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.535829 (E_RNA) where: Base-Base interactions energy: -1609.207 where: short stacking energy: -726.220 Base-Backbone interact. energy: -2.791 local terms energy: -800.537267 where: bonds (distance) C4'-P energy: -144.313 bonds (distance) P-C4' energy: -159.928 flat angles C4'-P-C4' energy: -177.951 flat angles P-C4'-P energy: -113.694 tors. eta vs tors. theta energy: -204.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2309.929256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.929256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.929256 (E_RNA) where: Base-Base interactions energy: -1553.448 where: short stacking energy: -668.845 Base-Backbone interact. energy: -2.778 local terms energy: -753.703736 where: bonds (distance) C4'-P energy: -143.278 bonds (distance) P-C4' energy: -149.180 flat angles C4'-P-C4' energy: -175.452 flat angles P-C4'-P energy: -107.026 tors. eta vs tors. theta energy: -178.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1994.890612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.890612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.890612 (E_RNA) where: Base-Base interactions energy: -1364.919 where: short stacking energy: -551.249 Base-Backbone interact. energy: -3.218 local terms energy: -626.753355 where: bonds (distance) C4'-P energy: -135.767 bonds (distance) P-C4' energy: -139.985 flat angles C4'-P-C4' energy: -137.149 flat angles P-C4'-P energy: -84.647 tors. eta vs tors. theta energy: -129.205 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: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1788.870795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.870795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.870795 (E_RNA) where: Base-Base interactions energy: -1160.967 where: short stacking energy: -536.593 Base-Backbone interact. energy: 0.431 local terms energy: -628.334901 where: bonds (distance) C4'-P energy: -133.288 bonds (distance) P-C4' energy: -134.444 flat angles C4'-P-C4' energy: -136.396 flat angles P-C4'-P energy: -103.490 tors. eta vs tors. theta energy: -120.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1443.386463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.386463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.386463 (E_RNA) where: Base-Base interactions energy: -872.751 where: short stacking energy: -419.255 Base-Backbone interact. energy: 1.740 local terms energy: -572.375754 where: bonds (distance) C4'-P energy: -151.289 bonds (distance) P-C4' energy: -138.968 flat angles C4'-P-C4' energy: -135.521 flat angles P-C4'-P energy: -80.805 tors. eta vs tors. theta energy: -65.793 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: 3 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1112.924314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.924314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.924314 (E_RNA) where: Base-Base interactions energy: -610.182 where: short stacking energy: -316.289 Base-Backbone interact. energy: 0.600 local terms energy: -503.341909 where: bonds (distance) C4'-P energy: -124.601 bonds (distance) P-C4' energy: -153.510 flat angles C4'-P-C4' energy: -120.535 flat angles P-C4'-P energy: -78.207 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: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -735.450764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.450764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.450764 (E_RNA) where: Base-Base interactions energy: -333.574 where: short stacking energy: -223.914 Base-Backbone interact. energy: 5.661 local terms energy: -407.537761 where: bonds (distance) C4'-P energy: -114.286 bonds (distance) P-C4' energy: -130.601 flat angles C4'-P-C4' energy: -113.850 flat angles P-C4'-P energy: -57.225 tors. eta vs tors. theta energy: 8.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2787.592751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.592751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.592751 (E_RNA) where: Base-Base interactions energy: -1913.676 where: short stacking energy: -801.283 Base-Backbone interact. energy: -3.998 local terms energy: -869.919148 where: bonds (distance) C4'-P energy: -168.063 bonds (distance) P-C4' energy: -168.035 flat angles C4'-P-C4' energy: -188.517 flat angles P-C4'-P energy: -127.253 tors. eta vs tors. theta energy: -218.052 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: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2671.312461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.312461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.312461 (E_RNA) where: Base-Base interactions energy: -1829.740 where: short stacking energy: -789.950 Base-Backbone interact. energy: -1.783 local terms energy: -839.789545 where: bonds (distance) C4'-P energy: -158.605 bonds (distance) P-C4' energy: -159.231 flat angles C4'-P-C4' energy: -184.632 flat angles P-C4'-P energy: -120.599 tors. eta vs tors. theta energy: -216.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2508.773750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.773750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.773750 (E_RNA) where: Base-Base interactions energy: -1694.140 where: short stacking energy: -742.531 Base-Backbone interact. energy: 0.338 local terms energy: -814.971965 where: bonds (distance) C4'-P energy: -186.007 bonds (distance) P-C4' energy: -155.634 flat angles C4'-P-C4' energy: -168.696 flat angles P-C4'-P energy: -97.724 tors. eta vs tors. theta energy: -206.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2451.433671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.433671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.433671 (E_RNA) where: Base-Base interactions energy: -1655.117 where: short stacking energy: -707.251 Base-Backbone interact. energy: -0.086 local terms energy: -796.230640 where: bonds (distance) C4'-P energy: -148.480 bonds (distance) P-C4' energy: -151.980 flat angles C4'-P-C4' energy: -184.272 flat angles P-C4'-P energy: -111.258 tors. eta vs tors. theta energy: -200.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2252.711794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.711794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.711794 (E_RNA) where: Base-Base interactions energy: -1519.828 where: short stacking energy: -665.600 Base-Backbone interact. energy: -4.310 local terms energy: -728.573256 where: bonds (distance) C4'-P energy: -150.951 bonds (distance) P-C4' energy: -151.814 flat angles C4'-P-C4' energy: -147.204 flat angles P-C4'-P energy: -101.285 tors. eta vs tors. theta energy: -177.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2016.720527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.720527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.720527 (E_RNA) where: Base-Base interactions energy: -1358.753 where: short stacking energy: -568.354 Base-Backbone interact. energy: -5.178 local terms energy: -652.789572 where: bonds (distance) C4'-P energy: -129.067 bonds (distance) P-C4' energy: -143.458 flat angles C4'-P-C4' energy: -157.451 flat angles P-C4'-P energy: -95.123 tors. eta vs tors. theta energy: -127.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1780.695501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.695501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.695501 (E_RNA) where: Base-Base interactions energy: -1099.171 where: short stacking energy: -488.520 Base-Backbone interact. energy: 2.244 local terms energy: -683.768650 where: bonds (distance) C4'-P energy: -149.524 bonds (distance) P-C4' energy: -159.148 flat angles C4'-P-C4' energy: -151.570 flat angles P-C4'-P energy: -115.042 tors. eta vs tors. theta energy: -108.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1378.137916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.137916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.137916 (E_RNA) where: Base-Base interactions energy: -836.597 where: short stacking energy: -400.662 Base-Backbone interact. energy: -2.619 local terms energy: -538.922379 where: bonds (distance) C4'-P energy: -125.315 bonds (distance) P-C4' energy: -158.038 flat angles C4'-P-C4' energy: -126.275 flat angles P-C4'-P energy: -82.001 tors. eta vs tors. theta energy: -47.293 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: 3 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1112.079975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.079975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.079975 (E_RNA) where: Base-Base interactions energy: -602.386 where: short stacking energy: -285.246 Base-Backbone interact. energy: -0.291 local terms energy: -509.402516 where: bonds (distance) C4'-P energy: -145.565 bonds (distance) P-C4' energy: -138.911 flat angles C4'-P-C4' energy: -125.657 flat angles P-C4'-P energy: -87.511 tors. eta vs tors. theta energy: -11.758 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: 10, replica: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -688.887843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.887843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.887843 (E_RNA) where: Base-Base interactions energy: -303.221 where: short stacking energy: -186.481 Base-Backbone interact. energy: 4.895 local terms energy: -390.561526 where: bonds (distance) C4'-P energy: -106.952 bonds (distance) P-C4' energy: -138.176 flat angles C4'-P-C4' energy: -94.340 flat angles P-C4'-P energy: -69.384 tors. eta vs tors. theta energy: 18.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2824.905906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.905906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.905906 (E_RNA) where: Base-Base interactions energy: -1935.008 where: short stacking energy: -833.180 Base-Backbone interact. energy: 0.423 local terms energy: -890.320763 where: bonds (distance) C4'-P energy: -150.676 bonds (distance) P-C4' energy: -172.387 flat angles C4'-P-C4' energy: -196.217 flat angles P-C4'-P energy: -126.239 tors. eta vs tors. theta energy: -244.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2638.361361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.361361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.361361 (E_RNA) where: Base-Base interactions energy: -1819.725 where: short stacking energy: -780.309 Base-Backbone interact. energy: 2.176 local terms energy: -820.812514 where: bonds (distance) C4'-P energy: -151.974 bonds (distance) P-C4' energy: -156.638 flat angles C4'-P-C4' energy: -175.377 flat angles P-C4'-P energy: -122.468 tors. eta vs tors. theta energy: -214.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2489.675817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.675817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.675817 (E_RNA) where: Base-Base interactions energy: -1712.187 where: short stacking energy: -704.725 Base-Backbone interact. energy: 2.754 local terms energy: -780.242063 where: bonds (distance) C4'-P energy: -144.778 bonds (distance) P-C4' energy: -149.101 flat angles C4'-P-C4' energy: -174.302 flat angles P-C4'-P energy: -114.514 tors. eta vs tors. theta energy: -197.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2429.247323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.247323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.247323 (E_RNA) where: Base-Base interactions energy: -1613.590 where: short stacking energy: -727.016 Base-Backbone interact. energy: -3.092 local terms energy: -812.565342 where: bonds (distance) C4'-P energy: -141.721 bonds (distance) P-C4' energy: -152.969 flat angles C4'-P-C4' energy: -166.988 flat angles P-C4'-P energy: -132.453 tors. eta vs tors. theta energy: -218.434 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: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2245.624776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.624776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.624776 (E_RNA) where: Base-Base interactions energy: -1515.229 where: short stacking energy: -655.055 Base-Backbone interact. energy: -2.420 local terms energy: -727.976427 where: bonds (distance) C4'-P energy: -141.788 bonds (distance) P-C4' energy: -149.904 flat angles C4'-P-C4' energy: -154.525 flat angles P-C4'-P energy: -98.799 tors. eta vs tors. theta energy: -182.960 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: 8 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2007.813836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.813836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.813836 (E_RNA) where: Base-Base interactions energy: -1325.118 where: short stacking energy: -547.947 Base-Backbone interact. energy: -1.934 local terms energy: -680.762235 where: bonds (distance) C4'-P energy: -148.701 bonds (distance) P-C4' energy: -157.093 flat angles C4'-P-C4' energy: -141.874 flat angles P-C4'-P energy: -88.164 tors. eta vs tors. theta energy: -144.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1786.096965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.096965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.096965 (E_RNA) where: Base-Base interactions energy: -1158.094 where: short stacking energy: -508.138 Base-Backbone interact. energy: 0.353 local terms energy: -628.356136 where: bonds (distance) C4'-P energy: -144.809 bonds (distance) P-C4' energy: -140.733 flat angles C4'-P-C4' energy: -128.957 flat angles P-C4'-P energy: -86.958 tors. eta vs tors. theta energy: -126.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1410.546723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.546723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.546723 (E_RNA) where: Base-Base interactions energy: -845.550 where: short stacking energy: -404.896 Base-Backbone interact. energy: -3.799 local terms energy: -561.197965 where: bonds (distance) C4'-P energy: -148.579 bonds (distance) P-C4' energy: -125.055 flat angles C4'-P-C4' energy: -157.625 flat angles P-C4'-P energy: -64.587 tors. eta vs tors. theta energy: -65.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1113.177888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.177888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.177888 (E_RNA) where: Base-Base interactions energy: -634.418 where: short stacking energy: -324.449 Base-Backbone interact. energy: -1.363 local terms energy: -477.396409 where: bonds (distance) C4'-P energy: -150.040 bonds (distance) P-C4' energy: -128.091 flat angles C4'-P-C4' energy: -106.011 flat angles P-C4'-P energy: -66.292 tors. eta vs tors. theta energy: -26.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -713.842500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.842500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.842500 (E_RNA) where: Base-Base interactions energy: -296.714 where: short stacking energy: -184.889 Base-Backbone interact. energy: -1.677 local terms energy: -415.451720 where: bonds (distance) C4'-P energy: -133.156 bonds (distance) P-C4' energy: -137.272 flat angles C4'-P-C4' energy: -113.417 flat angles P-C4'-P energy: -49.181 tors. eta vs tors. theta energy: 17.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2779.892330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.892330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.892330 (E_RNA) where: Base-Base interactions energy: -1905.315 where: short stacking energy: -806.349 Base-Backbone interact. energy: -4.105 local terms energy: -870.472579 where: bonds (distance) C4'-P energy: -171.523 bonds (distance) P-C4' energy: -173.341 flat angles C4'-P-C4' energy: -171.755 flat angles P-C4'-P energy: -124.225 tors. eta vs tors. theta energy: -229.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2658.234785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.234785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.234785 (E_RNA) where: Base-Base interactions energy: -1824.905 where: short stacking energy: -797.789 Base-Backbone interact. energy: -1.807 local terms energy: -831.522440 where: bonds (distance) C4'-P energy: -160.710 bonds (distance) P-C4' energy: -150.203 flat angles C4'-P-C4' energy: -180.670 flat angles P-C4'-P energy: -123.687 tors. eta vs tors. theta energy: -216.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2473.018583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.018583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.018583 (E_RNA) where: Base-Base interactions energy: -1679.067 where: short stacking energy: -717.105 Base-Backbone interact. energy: -1.691 local terms energy: -792.260547 where: bonds (distance) C4'-P energy: -141.742 bonds (distance) P-C4' energy: -159.124 flat angles C4'-P-C4' energy: -179.158 flat angles P-C4'-P energy: -100.146 tors. eta vs tors. theta energy: -212.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2380.006023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.006023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.006023 (E_RNA) where: Base-Base interactions energy: -1593.819 where: short stacking energy: -750.734 Base-Backbone interact. energy: -1.279 local terms energy: -784.907247 where: bonds (distance) C4'-P energy: -134.522 bonds (distance) P-C4' energy: -151.664 flat angles C4'-P-C4' energy: -176.624 flat angles P-C4'-P energy: -122.465 tors. eta vs tors. theta energy: -199.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2285.036825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.036825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.036825 (E_RNA) where: Base-Base interactions energy: -1529.901 where: short stacking energy: -667.579 Base-Backbone interact. energy: -3.094 local terms energy: -752.041307 where: bonds (distance) C4'-P energy: -139.893 bonds (distance) P-C4' energy: -162.946 flat angles C4'-P-C4' energy: -155.910 flat angles P-C4'-P energy: -118.447 tors. eta vs tors. theta energy: -174.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2025.288362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.288362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.288362 (E_RNA) where: Base-Base interactions energy: -1337.527 where: short stacking energy: -555.096 Base-Backbone interact. energy: -1.418 local terms energy: -686.342897 where: bonds (distance) C4'-P energy: -147.831 bonds (distance) P-C4' energy: -145.470 flat angles C4'-P-C4' energy: -159.375 flat angles P-C4'-P energy: -94.131 tors. eta vs tors. theta energy: -139.536 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: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1732.278424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.278424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.278424 (E_RNA) where: Base-Base interactions energy: -1093.584 where: short stacking energy: -466.089 Base-Backbone interact. energy: -3.581 local terms energy: -635.114090 where: bonds (distance) C4'-P energy: -142.040 bonds (distance) P-C4' energy: -153.844 flat angles C4'-P-C4' energy: -142.168 flat angles P-C4'-P energy: -91.115 tors. eta vs tors. theta energy: -105.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1380.270010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.270010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.270010 (E_RNA) where: Base-Base interactions energy: -819.972 where: short stacking energy: -404.504 Base-Backbone interact. energy: 2.155 local terms energy: -562.452461 where: bonds (distance) C4'-P energy: -145.593 bonds (distance) P-C4' energy: -151.524 flat angles C4'-P-C4' energy: -112.631 flat angles P-C4'-P energy: -92.307 tors. eta vs tors. theta energy: -60.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1182.016703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.016703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.016703 (E_RNA) where: Base-Base interactions energy: -684.376 where: short stacking energy: -361.239 Base-Backbone interact. energy: 6.448 local terms energy: -504.088620 where: bonds (distance) C4'-P energy: -119.271 bonds (distance) P-C4' energy: -160.211 flat angles C4'-P-C4' energy: -132.317 flat angles P-C4'-P energy: -65.887 tors. eta vs tors. theta energy: -26.404 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: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -722.359195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.359195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.359195 (E_RNA) where: Base-Base interactions energy: -293.420 where: short stacking energy: -214.322 Base-Backbone interact. energy: -1.757 local terms energy: -427.182569 where: bonds (distance) C4'-P energy: -129.831 bonds (distance) P-C4' energy: -120.053 flat angles C4'-P-C4' energy: -106.951 flat angles P-C4'-P energy: -75.317 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: 1, replica: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2796.639563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.639563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.639563 (E_RNA) where: Base-Base interactions energy: -1915.710 where: short stacking energy: -794.934 Base-Backbone interact. energy: -3.814 local terms energy: -877.115700 where: bonds (distance) C4'-P energy: -169.866 bonds (distance) P-C4' energy: -157.120 flat angles C4'-P-C4' energy: -191.824 flat angles P-C4'-P energy: -120.602 tors. eta vs tors. theta energy: -237.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2666.109862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.109862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.109862 (E_RNA) where: Base-Base interactions energy: -1780.754 where: short stacking energy: -793.907 Base-Backbone interact. energy: -3.865 local terms energy: -881.490710 where: bonds (distance) C4'-P energy: -162.363 bonds (distance) P-C4' energy: -156.072 flat angles C4'-P-C4' energy: -196.589 flat angles P-C4'-P energy: -124.043 tors. eta vs tors. theta energy: -242.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2506.748534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.748534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.748534 (E_RNA) where: Base-Base interactions energy: -1689.599 where: short stacking energy: -738.663 Base-Backbone interact. energy: -2.286 local terms energy: -814.863581 where: bonds (distance) C4'-P energy: -163.325 bonds (distance) P-C4' energy: -146.993 flat angles C4'-P-C4' energy: -191.087 flat angles P-C4'-P energy: -96.580 tors. eta vs tors. theta energy: -216.879 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: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2408.057065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.057065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.057065 (E_RNA) where: Base-Base interactions energy: -1620.727 where: short stacking energy: -733.018 Base-Backbone interact. energy: -2.943 local terms energy: -784.387272 where: bonds (distance) C4'-P energy: -154.946 bonds (distance) P-C4' energy: -151.111 flat angles C4'-P-C4' energy: -162.204 flat angles P-C4'-P energy: -102.594 tors. eta vs tors. theta energy: -213.533 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: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2280.439927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.439927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.439927 (E_RNA) where: Base-Base interactions energy: -1544.064 where: short stacking energy: -666.937 Base-Backbone interact. energy: -1.164 local terms energy: -735.211772 where: bonds (distance) C4'-P energy: -123.166 bonds (distance) P-C4' energy: -160.311 flat angles C4'-P-C4' energy: -156.750 flat angles P-C4'-P energy: -110.154 tors. eta vs tors. theta energy: -184.830 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: 8 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2016.523199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.523199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.523199 (E_RNA) where: Base-Base interactions energy: -1337.387 where: short stacking energy: -564.220 Base-Backbone interact. energy: 2.082 local terms energy: -681.217845 where: bonds (distance) C4'-P energy: -141.855 bonds (distance) P-C4' energy: -149.445 flat angles C4'-P-C4' energy: -151.133 flat angles P-C4'-P energy: -95.662 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: 215 Temperature: 1.200000 Total energy: -1804.440112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.440112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.440112 (E_RNA) where: Base-Base interactions energy: -1157.071 where: short stacking energy: -527.954 Base-Backbone interact. energy: -5.367 local terms energy: -642.002256 where: bonds (distance) C4'-P energy: -129.390 bonds (distance) P-C4' energy: -133.610 flat angles C4'-P-C4' energy: -153.727 flat angles P-C4'-P energy: -102.206 tors. eta vs tors. theta energy: -123.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1375.874788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.874788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.874788 (E_RNA) where: Base-Base interactions energy: -845.535 where: short stacking energy: -378.001 Base-Backbone interact. energy: -1.630 local terms energy: -528.709740 where: bonds (distance) C4'-P energy: -146.220 bonds (distance) P-C4' energy: -148.681 flat angles C4'-P-C4' energy: -114.040 flat angles P-C4'-P energy: -75.799 tors. eta vs tors. theta energy: -43.970 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: 3 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1149.017643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.017643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.017643 (E_RNA) where: Base-Base interactions energy: -661.104 where: short stacking energy: -323.623 Base-Backbone interact. energy: 0.527 local terms energy: -488.440875 where: bonds (distance) C4'-P energy: -115.873 bonds (distance) P-C4' energy: -140.078 flat angles C4'-P-C4' energy: -128.442 flat angles P-C4'-P energy: -70.452 tors. eta vs tors. theta energy: -33.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -714.446908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.446908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.446908 (E_RNA) where: Base-Base interactions energy: -285.123 where: short stacking energy: -197.802 Base-Backbone interact. energy: 2.806 local terms energy: -432.130237 where: bonds (distance) C4'-P energy: -123.097 bonds (distance) P-C4' energy: -149.803 flat angles C4'-P-C4' energy: -116.674 flat angles P-C4'-P energy: -63.588 tors. eta vs tors. theta energy: 21.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2755.452960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.452960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.452960 (E_RNA) where: Base-Base interactions energy: -1880.800 where: short stacking energy: -771.732 Base-Backbone interact. energy: 2.570 local terms energy: -877.223255 where: bonds (distance) C4'-P energy: -164.890 bonds (distance) P-C4' energy: -164.566 flat angles C4'-P-C4' energy: -197.106 flat angles P-C4'-P energy: -126.496 tors. eta vs tors. theta energy: -224.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2650.112255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.112255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.112255 (E_RNA) where: Base-Base interactions energy: -1784.638 where: short stacking energy: -792.043 Base-Backbone interact. energy: -3.989 local terms energy: -861.485223 where: bonds (distance) C4'-P energy: -162.293 bonds (distance) P-C4' energy: -160.868 flat angles C4'-P-C4' energy: -182.874 flat angles P-C4'-P energy: -122.607 tors. eta vs tors. theta energy: -232.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2512.462666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.462666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.462666 (E_RNA) where: Base-Base interactions energy: -1680.260 where: short stacking energy: -736.243 Base-Backbone interact. energy: -4.948 local terms energy: -827.254469 where: bonds (distance) C4'-P energy: -159.211 bonds (distance) P-C4' energy: -176.352 flat angles C4'-P-C4' energy: -174.100 flat angles P-C4'-P energy: -107.634 tors. eta vs tors. theta energy: -209.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2443.504382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.504382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.504382 (E_RNA) where: Base-Base interactions energy: -1652.378 where: short stacking energy: -749.020 Base-Backbone interact. energy: -4.159 local terms energy: -786.967083 where: bonds (distance) C4'-P energy: -149.313 bonds (distance) P-C4' energy: -140.592 flat angles C4'-P-C4' energy: -167.610 flat angles P-C4'-P energy: -110.354 tors. eta vs tors. theta energy: -219.099 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: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2244.271374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.271374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.271374 (E_RNA) where: Base-Base interactions energy: -1518.963 where: short stacking energy: -646.475 Base-Backbone interact. energy: -2.207 local terms energy: -723.101940 where: bonds (distance) C4'-P energy: -153.981 bonds (distance) P-C4' energy: -136.853 flat angles C4'-P-C4' energy: -146.405 flat angles P-C4'-P energy: -108.002 tors. eta vs tors. theta energy: -177.861 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: 8 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2040.948469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.948469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.948469 (E_RNA) where: Base-Base interactions energy: -1388.363 where: short stacking energy: -576.911 Base-Backbone interact. energy: 1.243 local terms energy: -653.828605 where: bonds (distance) C4'-P energy: -128.493 bonds (distance) P-C4' energy: -143.645 flat angles C4'-P-C4' energy: -143.517 flat angles P-C4'-P energy: -100.178 tors. eta vs tors. theta energy: -137.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1711.467180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.467180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.467180 (E_RNA) where: Base-Base interactions energy: -1082.439 where: short stacking energy: -480.749 Base-Backbone interact. energy: -1.450 local terms energy: -627.577478 where: bonds (distance) C4'-P energy: -127.192 bonds (distance) P-C4' energy: -162.187 flat angles C4'-P-C4' energy: -136.863 flat angles P-C4'-P energy: -72.146 tors. eta vs tors. theta energy: -129.190 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: 8, replica: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1381.203287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.203287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.203287 (E_RNA) where: Base-Base interactions energy: -844.979 where: short stacking energy: -406.148 Base-Backbone interact. energy: -5.020 local terms energy: -531.203465 where: bonds (distance) C4'-P energy: -139.180 bonds (distance) P-C4' energy: -116.970 flat angles C4'-P-C4' energy: -143.293 flat angles P-C4'-P energy: -69.745 tors. eta vs tors. theta energy: -62.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1141.957286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.957286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.957286 (E_RNA) where: Base-Base interactions energy: -662.441 where: short stacking energy: -321.590 Base-Backbone interact. energy: -1.130 local terms energy: -478.385665 where: bonds (distance) C4'-P energy: -130.665 bonds (distance) P-C4' energy: -145.940 flat angles C4'-P-C4' energy: -113.474 flat angles P-C4'-P energy: -64.226 tors. eta vs tors. theta energy: -24.080 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: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -723.078096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.078096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.078096 (E_RNA) where: Base-Base interactions energy: -282.382 where: short stacking energy: -201.136 Base-Backbone interact. energy: 2.171 local terms energy: -442.867673 where: bonds (distance) C4'-P energy: -135.295 bonds (distance) P-C4' energy: -129.515 flat angles C4'-P-C4' energy: -130.593 flat angles P-C4'-P energy: -74.091 tors. eta vs tors. theta energy: 26.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2781.488376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.488376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.488376 (E_RNA) where: Base-Base interactions energy: -1882.851 where: short stacking energy: -788.878 Base-Backbone interact. energy: -4.907 local terms energy: -893.730839 where: bonds (distance) C4'-P energy: -164.496 bonds (distance) P-C4' energy: -180.396 flat angles C4'-P-C4' energy: -185.425 flat angles P-C4'-P energy: -127.146 tors. eta vs tors. theta energy: -236.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2667.500705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.500705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.500705 (E_RNA) where: Base-Base interactions energy: -1790.766 where: short stacking energy: -797.727 Base-Backbone interact. energy: 3.383 local terms energy: -880.117252 where: bonds (distance) C4'-P energy: -173.475 bonds (distance) P-C4' energy: -170.856 flat angles C4'-P-C4' energy: -178.718 flat angles P-C4'-P energy: -123.108 tors. eta vs tors. theta energy: -233.961 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: 3, replica: 7 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2506.721351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.721351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.721351 (E_RNA) where: Base-Base interactions energy: -1674.546 where: short stacking energy: -713.364 Base-Backbone interact. energy: -6.452 local terms energy: -825.723572 where: bonds (distance) C4'-P energy: -156.428 bonds (distance) P-C4' energy: -158.553 flat angles C4'-P-C4' energy: -175.627 flat angles P-C4'-P energy: -117.124 tors. eta vs tors. theta energy: -217.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2458.355109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.355109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.355109 (E_RNA) where: Base-Base interactions energy: -1657.956 where: short stacking energy: -729.887 Base-Backbone interact. energy: -2.973 local terms energy: -797.425716 where: bonds (distance) C4'-P energy: -154.768 bonds (distance) P-C4' energy: -138.425 flat angles C4'-P-C4' energy: -178.551 flat angles P-C4'-P energy: -108.550 tors. eta vs tors. theta energy: -217.132 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: 5, replica: 4 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2219.466019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.466019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.466019 (E_RNA) where: Base-Base interactions energy: -1504.599 where: short stacking energy: -672.549 Base-Backbone interact. energy: -0.729 local terms energy: -714.138668 where: bonds (distance) C4'-P energy: -115.465 bonds (distance) P-C4' energy: -152.801 flat angles C4'-P-C4' energy: -156.907 flat angles P-C4'-P energy: -95.987 tors. eta vs tors. theta energy: -192.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1996.331709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.331709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.331709 (E_RNA) where: Base-Base interactions energy: -1377.891 where: short stacking energy: -561.179 Base-Backbone interact. energy: -4.695 local terms energy: -613.746071 where: bonds (distance) C4'-P energy: -123.314 bonds (distance) P-C4' energy: -131.182 flat angles C4'-P-C4' energy: -137.993 flat angles P-C4'-P energy: -91.575 tors. eta vs tors. theta energy: -129.683 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: 5 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1754.865202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.865202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.865202 (E_RNA) where: Base-Base interactions energy: -1104.517 where: short stacking energy: -494.862 Base-Backbone interact. energy: 2.325 local terms energy: -652.672803 where: bonds (distance) C4'-P energy: -150.366 bonds (distance) P-C4' energy: -137.622 flat angles C4'-P-C4' energy: -147.078 flat angles P-C4'-P energy: -90.267 tors. eta vs tors. theta energy: -127.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1397.957478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.957478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.957478 (E_RNA) where: Base-Base interactions energy: -837.536 where: short stacking energy: -408.291 Base-Backbone interact. energy: 2.036 local terms energy: -562.457455 where: bonds (distance) C4'-P energy: -141.546 bonds (distance) P-C4' energy: -147.317 flat angles C4'-P-C4' energy: -131.989 flat angles P-C4'-P energy: -80.807 tors. eta vs tors. theta energy: -60.798 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: 3 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1073.942821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.942821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.942821 (E_RNA) where: Base-Base interactions energy: -591.929 where: short stacking energy: -289.086 Base-Backbone interact. energy: -3.159 local terms energy: -478.855275 where: bonds (distance) C4'-P energy: -109.101 bonds (distance) P-C4' energy: -154.994 flat angles C4'-P-C4' energy: -112.201 flat angles P-C4'-P energy: -84.797 tors. eta vs tors. theta energy: -17.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -740.242019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.242019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.242019 (E_RNA) where: Base-Base interactions energy: -289.920 where: short stacking energy: -194.456 Base-Backbone interact. energy: -1.321 local terms energy: -449.001465 where: bonds (distance) C4'-P energy: -134.870 bonds (distance) P-C4' energy: -153.024 flat angles C4'-P-C4' energy: -112.295 flat angles P-C4'-P energy: -61.374 tors. eta vs tors. theta energy: 12.562 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: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2811.928033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.928033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.928033 (E_RNA) where: Base-Base interactions energy: -1906.244 where: short stacking energy: -824.314 Base-Backbone interact. energy: -3.513 local terms energy: -902.170299 where: bonds (distance) C4'-P energy: -164.246 bonds (distance) P-C4' energy: -166.424 flat angles C4'-P-C4' energy: -198.629 flat angles P-C4'-P energy: -142.370 tors. eta vs tors. theta energy: -230.502 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: 9 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2663.916678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.916678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.916678 (E_RNA) where: Base-Base interactions energy: -1792.093 where: short stacking energy: -807.642 Base-Backbone interact. energy: -1.242 local terms energy: -870.580877 where: bonds (distance) C4'-P energy: -147.005 bonds (distance) P-C4' energy: -169.791 flat angles C4'-P-C4' energy: -172.522 flat angles P-C4'-P energy: -141.885 tors. eta vs tors. theta energy: -239.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2540.363756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.363756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.363756 (E_RNA) where: Base-Base interactions energy: -1702.949 where: short stacking energy: -750.449 Base-Backbone interact. energy: -3.875 local terms energy: -833.539956 where: bonds (distance) C4'-P energy: -166.009 bonds (distance) P-C4' energy: -155.868 flat angles C4'-P-C4' energy: -180.384 flat angles P-C4'-P energy: -118.039 tors. eta vs tors. theta energy: -213.241 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: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2463.146134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.146134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.146134 (E_RNA) where: Base-Base interactions energy: -1634.422 where: short stacking energy: -761.135 Base-Backbone interact. energy: 1.412 local terms energy: -830.136443 where: bonds (distance) C4'-P energy: -151.875 bonds (distance) P-C4' energy: -160.746 flat angles C4'-P-C4' energy: -183.266 flat angles P-C4'-P energy: -120.334 tors. eta vs tors. theta energy: -213.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2200.513133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.513133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.513133 (E_RNA) where: Base-Base interactions energy: -1505.334 where: short stacking energy: -642.085 Base-Backbone interact. energy: 0.283 local terms energy: -695.461639 where: bonds (distance) C4'-P energy: -134.593 bonds (distance) P-C4' energy: -134.318 flat angles C4'-P-C4' energy: -143.399 flat angles P-C4'-P energy: -105.316 tors. eta vs tors. theta energy: -177.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2027.515809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.515809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.515809 (E_RNA) where: Base-Base interactions energy: -1354.859 where: short stacking energy: -585.422 Base-Backbone interact. energy: -1.153 local terms energy: -671.503636 where: bonds (distance) C4'-P energy: -148.719 bonds (distance) P-C4' energy: -156.902 flat angles C4'-P-C4' energy: -149.038 flat angles P-C4'-P energy: -83.395 tors. eta vs tors. theta energy: -133.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1724.671480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.671480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.671480 (E_RNA) where: Base-Base interactions energy: -1129.089 where: short stacking energy: -493.810 Base-Backbone interact. energy: -2.438 local terms energy: -593.145292 where: bonds (distance) C4'-P energy: -115.741 bonds (distance) P-C4' energy: -145.321 flat angles C4'-P-C4' energy: -148.622 flat angles P-C4'-P energy: -88.044 tors. eta vs tors. theta energy: -95.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1403.027478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.027478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.027478 (E_RNA) where: Base-Base interactions energy: -841.511 where: short stacking energy: -403.805 Base-Backbone interact. energy: -0.911 local terms energy: -560.605203 where: bonds (distance) C4'-P energy: -144.097 bonds (distance) P-C4' energy: -130.908 flat angles C4'-P-C4' energy: -137.034 flat angles P-C4'-P energy: -80.856 tors. eta vs tors. theta energy: -67.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1193.117946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.117946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.117946 (E_RNA) where: Base-Base interactions energy: -726.963 where: short stacking energy: -322.870 Base-Backbone interact. energy: -3.645 local terms energy: -462.509742 where: bonds (distance) C4'-P energy: -143.572 bonds (distance) P-C4' energy: -130.241 flat angles C4'-P-C4' energy: -122.647 flat angles P-C4'-P energy: -55.580 tors. eta vs tors. theta energy: -10.469 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: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -757.943988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.943988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.943988 (E_RNA) where: Base-Base interactions energy: -353.773 where: short stacking energy: -226.233 Base-Backbone interact. energy: 2.547 local terms energy: -406.718584 where: bonds (distance) C4'-P energy: -123.591 bonds (distance) P-C4' energy: -117.600 flat angles C4'-P-C4' energy: -119.747 flat angles P-C4'-P energy: -55.393 tors. eta vs tors. theta energy: 9.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2782.102911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.102911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.102911 (E_RNA) where: Base-Base interactions energy: -1898.930 where: short stacking energy: -813.299 Base-Backbone interact. energy: -0.236 local terms energy: -882.937482 where: bonds (distance) C4'-P energy: -147.650 bonds (distance) P-C4' energy: -174.563 flat angles C4'-P-C4' energy: -193.487 flat angles P-C4'-P energy: -139.657 tors. eta vs tors. theta energy: -227.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2682.250839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.250839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.250839 (E_RNA) where: Base-Base interactions energy: -1844.468 where: short stacking energy: -821.895 Base-Backbone interact. energy: -3.543 local terms energy: -834.239775 where: bonds (distance) C4'-P energy: -160.864 bonds (distance) P-C4' energy: -153.033 flat angles C4'-P-C4' energy: -179.458 flat angles P-C4'-P energy: -101.021 tors. eta vs tors. theta energy: -239.864 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: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2534.251820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.251820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.251820 (E_RNA) where: Base-Base interactions energy: -1723.059 where: short stacking energy: -729.793 Base-Backbone interact. energy: -0.573 local terms energy: -810.619751 where: bonds (distance) C4'-P energy: -156.634 bonds (distance) P-C4' energy: -157.639 flat angles C4'-P-C4' energy: -165.979 flat angles P-C4'-P energy: -109.966 tors. eta vs tors. theta energy: -220.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2425.922411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.922411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.922411 (E_RNA) where: Base-Base interactions energy: -1650.619 where: short stacking energy: -737.878 Base-Backbone interact. energy: -3.071 local terms energy: -772.232999 where: bonds (distance) C4'-P energy: -132.547 bonds (distance) P-C4' energy: -139.442 flat angles C4'-P-C4' energy: -172.185 flat angles P-C4'-P energy: -113.100 tors. eta vs tors. theta energy: -214.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2237.878921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.878921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.878921 (E_RNA) where: Base-Base interactions energy: -1495.197 where: short stacking energy: -638.134 Base-Backbone interact. energy: 0.013 local terms energy: -742.695615 where: bonds (distance) C4'-P energy: -131.419 bonds (distance) P-C4' energy: -167.076 flat angles C4'-P-C4' energy: -170.535 flat angles P-C4'-P energy: -98.221 tors. eta vs tors. theta energy: -175.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2035.569948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.569948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.569948 (E_RNA) where: Base-Base interactions energy: -1386.488 where: short stacking energy: -589.391 Base-Backbone interact. energy: -1.620 local terms energy: -647.462501 where: bonds (distance) C4'-P energy: -130.268 bonds (distance) P-C4' energy: -121.430 flat angles C4'-P-C4' energy: -159.302 flat angles P-C4'-P energy: -93.399 tors. eta vs tors. theta energy: -143.064 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: 5 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1713.726540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.726540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.726540 (E_RNA) where: Base-Base interactions energy: -1069.572 where: short stacking energy: -450.250 Base-Backbone interact. energy: -4.473 local terms energy: -639.681733 where: bonds (distance) C4'-P energy: -140.808 bonds (distance) P-C4' energy: -164.076 flat angles C4'-P-C4' energy: -131.200 flat angles P-C4'-P energy: -106.603 tors. eta vs tors. theta energy: -96.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1379.422332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.422332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.422332 (E_RNA) where: Base-Base interactions energy: -823.910 where: short stacking energy: -395.130 Base-Backbone interact. energy: -2.157 local terms energy: -553.355834 where: bonds (distance) C4'-P energy: -139.927 bonds (distance) P-C4' energy: -131.245 flat angles C4'-P-C4' energy: -130.307 flat angles P-C4'-P energy: -88.511 tors. eta vs tors. theta energy: -63.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1227.225613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.225613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.225613 (E_RNA) where: Base-Base interactions energy: -708.845 where: short stacking energy: -326.097 Base-Backbone interact. energy: 10.935 local terms energy: -529.315021 where: bonds (distance) C4'-P energy: -145.101 bonds (distance) P-C4' energy: -147.347 flat angles C4'-P-C4' energy: -133.924 flat angles P-C4'-P energy: -75.118 tors. eta vs tors. theta energy: -27.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -710.651984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.651984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.651984 (E_RNA) where: Base-Base interactions energy: -287.285 where: short stacking energy: -179.544 Base-Backbone interact. energy: -0.799 local terms energy: -422.568039 where: bonds (distance) C4'-P energy: -125.253 bonds (distance) P-C4' energy: -145.739 flat angles C4'-P-C4' energy: -117.895 flat angles P-C4'-P energy: -66.150 tors. eta vs tors. theta energy: 32.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2798.216520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.216520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.216520 (E_RNA) where: Base-Base interactions energy: -1923.032 where: short stacking energy: -794.660 Base-Backbone interact. energy: -4.248 local terms energy: -870.937405 where: bonds (distance) C4'-P energy: -167.347 bonds (distance) P-C4' energy: -173.414 flat angles C4'-P-C4' energy: -181.911 flat angles P-C4'-P energy: -110.357 tors. eta vs tors. theta energy: -237.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2682.404854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.404854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.404854 (E_RNA) where: Base-Base interactions energy: -1849.337 where: short stacking energy: -793.402 Base-Backbone interact. energy: 2.186 local terms energy: -835.254281 where: bonds (distance) C4'-P energy: -150.817 bonds (distance) P-C4' energy: -150.156 flat angles C4'-P-C4' energy: -183.017 flat angles P-C4'-P energy: -116.764 tors. eta vs tors. theta energy: -234.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2522.770125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.770125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.770125 (E_RNA) where: Base-Base interactions energy: -1705.148 where: short stacking energy: -736.230 Base-Backbone interact. energy: -5.080 local terms energy: -812.541728 where: bonds (distance) C4'-P energy: -154.580 bonds (distance) P-C4' energy: -146.182 flat angles C4'-P-C4' energy: -173.012 flat angles P-C4'-P energy: -112.088 tors. eta vs tors. theta energy: -226.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2468.173460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.173460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.173460 (E_RNA) where: Base-Base interactions energy: -1672.403 where: short stacking energy: -746.166 Base-Backbone interact. energy: -2.564 local terms energy: -793.206303 where: bonds (distance) C4'-P energy: -145.612 bonds (distance) P-C4' energy: -143.693 flat angles C4'-P-C4' energy: -173.159 flat angles P-C4'-P energy: -123.106 tors. eta vs tors. theta energy: -207.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2194.615129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.615129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.615129 (E_RNA) where: Base-Base interactions energy: -1496.797 where: short stacking energy: -633.639 Base-Backbone interact. energy: -2.323 local terms energy: -695.495494 where: bonds (distance) C4'-P energy: -123.782 bonds (distance) P-C4' energy: -151.544 flat angles C4'-P-C4' energy: -161.315 flat angles P-C4'-P energy: -100.036 tors. eta vs tors. theta energy: -158.818 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: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2072.323056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.323056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.323056 (E_RNA) where: Base-Base interactions energy: -1432.525 where: short stacking energy: -589.645 Base-Backbone interact. energy: 8.790 local terms energy: -648.587817 where: bonds (distance) C4'-P energy: -132.636 bonds (distance) P-C4' energy: -150.993 flat angles C4'-P-C4' energy: -143.807 flat angles P-C4'-P energy: -89.309 tors. eta vs tors. theta energy: -131.843 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: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1697.208825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.208825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.208825 (E_RNA) where: Base-Base interactions energy: -1074.440 where: short stacking energy: -478.169 Base-Backbone interact. energy: -2.525 local terms energy: -620.243982 where: bonds (distance) C4'-P energy: -142.023 bonds (distance) P-C4' energy: -129.738 flat angles C4'-P-C4' energy: -142.093 flat angles P-C4'-P energy: -94.621 tors. eta vs tors. theta energy: -111.769 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: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1364.815592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.815592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.815592 (E_RNA) where: Base-Base interactions energy: -829.991 where: short stacking energy: -403.836 Base-Backbone interact. energy: -1.301 local terms energy: -533.523213 where: bonds (distance) C4'-P energy: -123.213 bonds (distance) P-C4' energy: -131.090 flat angles C4'-P-C4' energy: -125.633 flat angles P-C4'-P energy: -89.062 tors. eta vs tors. theta energy: -64.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1199.982120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.982120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.982120 (E_RNA) where: Base-Base interactions energy: -680.992 where: short stacking energy: -319.985 Base-Backbone interact. energy: 0.900 local terms energy: -519.889998 where: bonds (distance) C4'-P energy: -124.968 bonds (distance) P-C4' energy: -140.637 flat angles C4'-P-C4' energy: -130.589 flat angles P-C4'-P energy: -96.552 tors. eta vs tors. theta energy: -27.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -725.606927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.606927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.606927 (E_RNA) where: Base-Base interactions energy: -345.423 where: short stacking energy: -231.603 Base-Backbone interact. energy: 5.208 local terms energy: -385.391361 where: bonds (distance) C4'-P energy: -116.216 bonds (distance) P-C4' energy: -135.243 flat angles C4'-P-C4' energy: -77.087 flat angles P-C4'-P energy: -68.821 tors. eta vs tors. theta energy: 11.975 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: 6 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2748.661383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.661383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.661383 (E_RNA) where: Base-Base interactions energy: -1859.668 where: short stacking energy: -784.217 Base-Backbone interact. energy: -3.989 local terms energy: -885.004350 where: bonds (distance) C4'-P energy: -170.860 bonds (distance) P-C4' energy: -162.130 flat angles C4'-P-C4' energy: -187.506 flat angles P-C4'-P energy: -128.457 tors. eta vs tors. theta energy: -236.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2718.856581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.856581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.856581 (E_RNA) where: Base-Base interactions energy: -1832.085 where: short stacking energy: -829.499 Base-Backbone interact. energy: -0.323 local terms energy: -886.449102 where: bonds (distance) C4'-P energy: -157.881 bonds (distance) P-C4' energy: -170.833 flat angles C4'-P-C4' energy: -184.439 flat angles P-C4'-P energy: -131.211 tors. eta vs tors. theta energy: -242.085 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: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2521.819946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.819946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.819946 (E_RNA) where: Base-Base interactions energy: -1711.762 where: short stacking energy: -752.334 Base-Backbone interact. energy: -2.274 local terms energy: -807.783832 where: bonds (distance) C4'-P energy: -151.685 bonds (distance) P-C4' energy: -145.509 flat angles C4'-P-C4' energy: -178.124 flat angles P-C4'-P energy: -113.261 tors. eta vs tors. theta energy: -219.205 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: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2434.863605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.863605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.863605 (E_RNA) where: Base-Base interactions energy: -1633.346 where: short stacking energy: -712.873 Base-Backbone interact. energy: -5.821 local terms energy: -795.697058 where: bonds (distance) C4'-P energy: -149.505 bonds (distance) P-C4' energy: -149.577 flat angles C4'-P-C4' energy: -174.035 flat angles P-C4'-P energy: -113.987 tors. eta vs tors. theta energy: -208.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2277.536509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.536509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.536509 (E_RNA) where: Base-Base interactions energy: -1548.340 where: short stacking energy: -666.893 Base-Backbone interact. energy: -3.244 local terms energy: -725.952209 where: bonds (distance) C4'-P energy: -140.162 bonds (distance) P-C4' energy: -163.327 flat angles C4'-P-C4' energy: -135.244 flat angles P-C4'-P energy: -93.535 tors. eta vs tors. theta energy: -193.684 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: 6, replica: 8 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1941.138396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.138396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.138396 (E_RNA) where: Base-Base interactions energy: -1278.252 where: short stacking energy: -541.750 Base-Backbone interact. energy: 3.966 local terms energy: -666.853121 where: bonds (distance) C4'-P energy: -144.352 bonds (distance) P-C4' energy: -145.399 flat angles C4'-P-C4' energy: -146.584 flat angles P-C4'-P energy: -93.169 tors. eta vs tors. theta energy: -137.349 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: 5 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1677.538056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.538056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.538056 (E_RNA) where: Base-Base interactions energy: -1078.792 where: short stacking energy: -469.592 Base-Backbone interact. energy: 2.514 local terms energy: -601.259887 where: bonds (distance) C4'-P energy: -127.274 bonds (distance) P-C4' energy: -148.841 flat angles C4'-P-C4' energy: -156.365 flat angles P-C4'-P energy: -91.689 tors. eta vs tors. theta energy: -77.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1381.165625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.165625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.165625 (E_RNA) where: Base-Base interactions energy: -833.560 where: short stacking energy: -387.964 Base-Backbone interact. energy: -5.184 local terms energy: -542.421832 where: bonds (distance) C4'-P energy: -126.781 bonds (distance) P-C4' energy: -128.193 flat angles C4'-P-C4' energy: -140.555 flat angles P-C4'-P energy: -88.523 tors. eta vs tors. theta energy: -58.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1285.766627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.766627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.766627 (E_RNA) where: Base-Base interactions energy: -772.307 where: short stacking energy: -363.313 Base-Backbone interact. energy: 4.124 local terms energy: -517.582839 where: bonds (distance) C4'-P energy: -124.453 bonds (distance) P-C4' energy: -136.993 flat angles C4'-P-C4' energy: -131.038 flat angles P-C4'-P energy: -84.935 tors. eta vs tors. theta energy: -40.164 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: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -695.563752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.563752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.563752 (E_RNA) where: Base-Base interactions energy: -287.784 where: short stacking energy: -193.022 Base-Backbone interact. energy: -2.044 local terms energy: -405.735824 where: bonds (distance) C4'-P energy: -121.683 bonds (distance) P-C4' energy: -139.192 flat angles C4'-P-C4' energy: -102.828 flat angles P-C4'-P energy: -68.242 tors. eta vs tors. theta energy: 26.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2757.728831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.728831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.728831 (E_RNA) where: Base-Base interactions energy: -1870.517 where: short stacking energy: -787.991 Base-Backbone interact. energy: -4.102 local terms energy: -883.109940 where: bonds (distance) C4'-P energy: -156.294 bonds (distance) P-C4' energy: -171.259 flat angles C4'-P-C4' energy: -195.380 flat angles P-C4'-P energy: -129.849 tors. eta vs tors. theta energy: -230.327 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: 9 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2658.549936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.549936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.549936 (E_RNA) where: Base-Base interactions energy: -1800.620 where: short stacking energy: -780.200 Base-Backbone interact. energy: -3.789 local terms energy: -854.141051 where: bonds (distance) C4'-P energy: -154.021 bonds (distance) P-C4' energy: -168.866 flat angles C4'-P-C4' energy: -173.665 flat angles P-C4'-P energy: -123.484 tors. eta vs tors. theta energy: -234.104 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: 7 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2467.747065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.747065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.747065 (E_RNA) where: Base-Base interactions energy: -1671.233 where: short stacking energy: -713.789 Base-Backbone interact. energy: -4.541 local terms energy: -791.972507 where: bonds (distance) C4'-P energy: -155.718 bonds (distance) P-C4' energy: -145.010 flat angles C4'-P-C4' energy: -169.654 flat angles P-C4'-P energy: -107.940 tors. eta vs tors. theta energy: -213.651 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: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2419.960150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.960150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.960150 (E_RNA) where: Base-Base interactions energy: -1601.733 where: short stacking energy: -727.334 Base-Backbone interact. energy: -0.262 local terms energy: -817.964884 where: bonds (distance) C4'-P energy: -145.936 bonds (distance) P-C4' energy: -158.768 flat angles C4'-P-C4' energy: -177.973 flat angles P-C4'-P energy: -113.709 tors. eta vs tors. theta energy: -221.578 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: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2286.901681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.901681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.901681 (E_RNA) where: Base-Base interactions energy: -1523.182 where: short stacking energy: -669.187 Base-Backbone interact. energy: 1.311 local terms energy: -765.030498 where: bonds (distance) C4'-P energy: -148.518 bonds (distance) P-C4' energy: -151.979 flat angles C4'-P-C4' energy: -158.680 flat angles P-C4'-P energy: -110.514 tors. eta vs tors. theta energy: -195.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2058.625078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.625078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.625078 (E_RNA) where: Base-Base interactions energy: -1393.289 where: short stacking energy: -596.358 Base-Backbone interact. energy: 4.318 local terms energy: -669.653260 where: bonds (distance) C4'-P energy: -139.742 bonds (distance) P-C4' energy: -144.567 flat angles C4'-P-C4' energy: -156.566 flat angles P-C4'-P energy: -89.427 tors. eta vs tors. theta energy: -139.351 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: 7, replica: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1716.598854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.598854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.598854 (E_RNA) where: Base-Base interactions energy: -1079.392 where: short stacking energy: -459.857 Base-Backbone interact. energy: 0.223 local terms energy: -637.430273 where: bonds (distance) C4'-P energy: -136.448 bonds (distance) P-C4' energy: -148.243 flat angles C4'-P-C4' energy: -133.302 flat angles P-C4'-P energy: -119.446 tors. eta vs tors. theta energy: -99.991 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: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1341.221624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.221624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.221624 (E_RNA) where: Base-Base interactions energy: -791.267 where: short stacking energy: -366.092 Base-Backbone interact. energy: 0.167 local terms energy: -550.122236 where: bonds (distance) C4'-P energy: -131.852 bonds (distance) P-C4' energy: -148.592 flat angles C4'-P-C4' energy: -133.131 flat angles P-C4'-P energy: -76.218 tors. eta vs tors. theta energy: -60.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1241.129835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.129835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.129835 (E_RNA) where: Base-Base interactions energy: -728.532 where: short stacking energy: -331.804 Base-Backbone interact. energy: -0.471 local terms energy: -512.126653 where: bonds (distance) C4'-P energy: -126.345 bonds (distance) P-C4' energy: -134.598 flat angles C4'-P-C4' energy: -131.535 flat angles P-C4'-P energy: -80.840 tors. eta vs tors. theta energy: -38.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -762.306299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.306299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.306299 (E_RNA) where: Base-Base interactions energy: -336.837 where: short stacking energy: -198.880 Base-Backbone interact. energy: -4.673 local terms energy: -420.796778 where: bonds (distance) C4'-P energy: -110.007 bonds (distance) P-C4' energy: -134.111 flat angles C4'-P-C4' energy: -107.165 flat angles P-C4'-P energy: -75.489 tors. eta vs tors. theta energy: 5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2767.921403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.921403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.921403 (E_RNA) where: Base-Base interactions energy: -1908.692 where: short stacking energy: -810.765 Base-Backbone interact. energy: 0.943 local terms energy: -860.172059 where: bonds (distance) C4'-P energy: -168.081 bonds (distance) P-C4' energy: -155.951 flat angles C4'-P-C4' energy: -196.050 flat angles P-C4'-P energy: -113.702 tors. eta vs tors. theta energy: -226.388 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: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2699.207812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.207812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.207812 (E_RNA) where: Base-Base interactions energy: -1827.836 where: short stacking energy: -809.940 Base-Backbone interact. energy: -6.235 local terms energy: -865.137143 where: bonds (distance) C4'-P energy: -173.443 bonds (distance) P-C4' energy: -166.540 flat angles C4'-P-C4' energy: -190.017 flat angles P-C4'-P energy: -122.953 tors. eta vs tors. theta energy: -212.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2478.673606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.673606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.673606 (E_RNA) where: Base-Base interactions energy: -1665.093 where: short stacking energy: -707.136 Base-Backbone interact. energy: -1.919 local terms energy: -811.661469 where: bonds (distance) C4'-P energy: -165.943 bonds (distance) P-C4' energy: -144.361 flat angles C4'-P-C4' energy: -178.479 flat angles P-C4'-P energy: -112.127 tors. eta vs tors. theta energy: -210.751 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: 223 Temperature: 1.050000 Total energy: -2429.391055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.391055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.391055 (E_RNA) where: Base-Base interactions energy: -1630.616 where: short stacking energy: -745.045 Base-Backbone interact. energy: -1.449 local terms energy: -797.326421 where: bonds (distance) C4'-P energy: -142.967 bonds (distance) P-C4' energy: -148.230 flat angles C4'-P-C4' energy: -183.010 flat angles P-C4'-P energy: -95.992 tors. eta vs tors. theta energy: -227.128 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: 223 Temperature: 1.100000 Total energy: -2316.296387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.296387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.296387 (E_RNA) where: Base-Base interactions energy: -1550.176 where: short stacking energy: -682.515 Base-Backbone interact. energy: -4.212 local terms energy: -761.907730 where: bonds (distance) C4'-P energy: -154.678 bonds (distance) P-C4' energy: -150.363 flat angles C4'-P-C4' energy: -164.808 flat angles P-C4'-P energy: -105.707 tors. eta vs tors. theta energy: -186.352 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: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1990.229071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.229071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.229071 (E_RNA) where: Base-Base interactions energy: -1334.514 where: short stacking energy: -555.151 Base-Backbone interact. energy: -2.380 local terms energy: -653.334425 where: bonds (distance) C4'-P energy: -129.747 bonds (distance) P-C4' energy: -148.252 flat angles C4'-P-C4' energy: -152.214 flat angles P-C4'-P energy: -82.419 tors. eta vs tors. theta energy: -140.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1803.558886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.558886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.558886 (E_RNA) where: Base-Base interactions energy: -1194.522 where: short stacking energy: -527.473 Base-Backbone interact. energy: 10.497 local terms energy: -619.533526 where: bonds (distance) C4'-P energy: -138.438 bonds (distance) P-C4' energy: -140.445 flat angles C4'-P-C4' energy: -140.905 flat angles P-C4'-P energy: -90.525 tors. eta vs tors. theta energy: -109.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1419.010802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.010802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.010802 (E_RNA) where: Base-Base interactions energy: -863.671 where: short stacking energy: -412.604 Base-Backbone interact. energy: 2.142 local terms energy: -557.481565 where: bonds (distance) C4'-P energy: -118.560 bonds (distance) P-C4' energy: -138.389 flat angles C4'-P-C4' energy: -133.745 flat angles P-C4'-P energy: -79.825 tors. eta vs tors. theta energy: -86.963 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: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1261.056840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.056840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.056840 (E_RNA) where: Base-Base interactions energy: -735.092 where: short stacking energy: -356.072 Base-Backbone interact. energy: 0.379 local terms energy: -526.343718 where: bonds (distance) C4'-P energy: -146.484 bonds (distance) P-C4' energy: -124.428 flat angles C4'-P-C4' energy: -117.703 flat angles P-C4'-P energy: -85.664 tors. eta vs tors. theta energy: -52.065 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: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -733.071771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.071771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.071771 (E_RNA) where: Base-Base interactions energy: -337.372 where: short stacking energy: -213.514 Base-Backbone interact. energy: 10.731 local terms energy: -406.430995 where: bonds (distance) C4'-P energy: -121.066 bonds (distance) P-C4' energy: -142.497 flat angles C4'-P-C4' energy: -101.555 flat angles P-C4'-P energy: -51.186 tors. eta vs tors. theta energy: 9.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2779.168127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.168127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.168127 (E_RNA) where: Base-Base interactions energy: -1888.048 where: short stacking energy: -796.455 Base-Backbone interact. energy: 1.457 local terms energy: -892.577031 where: bonds (distance) C4'-P energy: -175.525 bonds (distance) P-C4' energy: -162.123 flat angles C4'-P-C4' energy: -195.716 flat angles P-C4'-P energy: -135.807 tors. eta vs tors. theta energy: -223.405 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: 9 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2620.399912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.399912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.399912 (E_RNA) where: Base-Base interactions energy: -1775.862 where: short stacking energy: -784.179 Base-Backbone interact. energy: -2.510 local terms energy: -842.027783 where: bonds (distance) C4'-P energy: -164.288 bonds (distance) P-C4' energy: -167.751 flat angles C4'-P-C4' energy: -181.078 flat angles P-C4'-P energy: -110.489 tors. eta vs tors. theta energy: -218.422 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: 7 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2515.333876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.333876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.333876 (E_RNA) where: Base-Base interactions energy: -1670.767 where: short stacking energy: -721.255 Base-Backbone interact. energy: -0.661 local terms energy: -843.906502 where: bonds (distance) C4'-P energy: -159.430 bonds (distance) P-C4' energy: -160.671 flat angles C4'-P-C4' energy: -188.022 flat angles P-C4'-P energy: -123.228 tors. eta vs tors. theta energy: -212.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2422.290176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.290176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.290176 (E_RNA) where: Base-Base interactions energy: -1612.852 where: short stacking energy: -740.845 Base-Backbone interact. energy: -0.355 local terms energy: -809.082710 where: bonds (distance) C4'-P energy: -167.446 bonds (distance) P-C4' energy: -136.407 flat angles C4'-P-C4' energy: -194.901 flat angles P-C4'-P energy: -101.031 tors. eta vs tors. theta energy: -209.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2271.069173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.069173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.069173 (E_RNA) where: Base-Base interactions energy: -1495.864 where: short stacking energy: -647.368 Base-Backbone interact. energy: -1.969 local terms energy: -773.235927 where: bonds (distance) C4'-P energy: -160.507 bonds (distance) P-C4' energy: -172.485 flat angles C4'-P-C4' energy: -168.481 flat angles P-C4'-P energy: -86.372 tors. eta vs tors. theta energy: -185.390 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: 8 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1995.135516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.135516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.135516 (E_RNA) where: Base-Base interactions energy: -1346.305 where: short stacking energy: -552.306 Base-Backbone interact. energy: 0.604 local terms energy: -649.434731 where: bonds (distance) C4'-P energy: -149.253 bonds (distance) P-C4' energy: -138.066 flat angles C4'-P-C4' energy: -151.245 flat angles P-C4'-P energy: -81.996 tors. eta vs tors. theta energy: -128.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1809.110356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.110356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.110356 (E_RNA) where: Base-Base interactions energy: -1166.142 where: short stacking energy: -485.504 Base-Backbone interact. energy: 0.653 local terms energy: -643.621689 where: bonds (distance) C4'-P energy: -135.652 bonds (distance) P-C4' energy: -133.606 flat angles C4'-P-C4' energy: -162.554 flat angles P-C4'-P energy: -92.833 tors. eta vs tors. theta energy: -118.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1353.182914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.182914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.182914 (E_RNA) where: Base-Base interactions energy: -837.579 where: short stacking energy: -376.726 Base-Backbone interact. energy: -1.051 local terms energy: -514.553544 where: bonds (distance) C4'-P energy: -131.582 bonds (distance) P-C4' energy: -122.670 flat angles C4'-P-C4' energy: -141.880 flat angles P-C4'-P energy: -66.300 tors. eta vs tors. theta energy: -52.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1238.936907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.936907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.936907 (E_RNA) where: Base-Base interactions energy: -771.448 where: short stacking energy: -353.323 Base-Backbone interact. energy: 5.258 local terms energy: -472.746866 where: bonds (distance) C4'-P energy: -102.632 bonds (distance) P-C4' energy: -123.071 flat angles C4'-P-C4' energy: -137.771 flat angles P-C4'-P energy: -73.968 tors. eta vs tors. theta energy: -35.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -742.000514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.000514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.000514 (E_RNA) where: Base-Base interactions energy: -332.815 where: short stacking energy: -232.436 Base-Backbone interact. energy: 2.454 local terms energy: -411.640275 where: bonds (distance) C4'-P energy: -142.776 bonds (distance) P-C4' energy: -126.760 flat angles C4'-P-C4' energy: -103.053 flat angles P-C4'-P energy: -59.415 tors. eta vs tors. theta energy: 20.364 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: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2783.361136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.361136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.361136 (E_RNA) where: Base-Base interactions energy: -1893.944 where: short stacking energy: -806.686 Base-Backbone interact. energy: -3.421 local terms energy: -885.996491 where: bonds (distance) C4'-P energy: -176.212 bonds (distance) P-C4' energy: -162.620 flat angles C4'-P-C4' energy: -183.778 flat angles P-C4'-P energy: -129.627 tors. eta vs tors. theta energy: -233.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2655.265959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.265959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.265959 (E_RNA) where: Base-Base interactions energy: -1797.563 where: short stacking energy: -789.930 Base-Backbone interact. energy: -3.074 local terms energy: -854.629032 where: bonds (distance) C4'-P energy: -161.429 bonds (distance) P-C4' energy: -155.404 flat angles C4'-P-C4' energy: -181.829 flat angles P-C4'-P energy: -119.863 tors. eta vs tors. theta energy: -236.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2497.742036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.742036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.742036 (E_RNA) where: Base-Base interactions energy: -1701.584 where: short stacking energy: -719.243 Base-Backbone interact. energy: 0.245 local terms energy: -796.403164 where: bonds (distance) C4'-P energy: -148.366 bonds (distance) P-C4' energy: -156.210 flat angles C4'-P-C4' energy: -169.917 flat angles P-C4'-P energy: -121.230 tors. eta vs tors. theta energy: -200.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2425.231570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.231570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.231570 (E_RNA) where: Base-Base interactions energy: -1608.753 where: short stacking energy: -741.701 Base-Backbone interact. energy: -3.027 local terms energy: -813.451183 where: bonds (distance) C4'-P energy: -153.694 bonds (distance) P-C4' energy: -163.811 flat angles C4'-P-C4' energy: -179.635 flat angles P-C4'-P energy: -108.573 tors. eta vs tors. theta energy: -207.737 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: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2308.888263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.888263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.888263 (E_RNA) where: Base-Base interactions energy: -1585.157 where: short stacking energy: -673.873 Base-Backbone interact. energy: -1.833 local terms energy: -721.898816 where: bonds (distance) C4'-P energy: -137.699 bonds (distance) P-C4' energy: -135.239 flat angles C4'-P-C4' energy: -164.306 flat angles P-C4'-P energy: -89.516 tors. eta vs tors. theta energy: -195.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1988.408690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.408690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.408690 (E_RNA) where: Base-Base interactions energy: -1293.356 where: short stacking energy: -554.605 Base-Backbone interact. energy: -0.949 local terms energy: -694.104038 where: bonds (distance) C4'-P energy: -152.027 bonds (distance) P-C4' energy: -153.744 flat angles C4'-P-C4' energy: -168.639 flat angles P-C4'-P energy: -90.780 tors. eta vs tors. theta energy: -128.913 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: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1776.053936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.053936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.053936 (E_RNA) where: Base-Base interactions energy: -1184.796 where: short stacking energy: -490.085 Base-Backbone interact. energy: -3.615 local terms energy: -587.642578 where: bonds (distance) C4'-P energy: -108.594 bonds (distance) P-C4' energy: -133.061 flat angles C4'-P-C4' energy: -143.935 flat angles P-C4'-P energy: -93.229 tors. eta vs tors. theta energy: -108.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1383.657021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.657021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.657021 (E_RNA) where: Base-Base interactions energy: -826.365 where: short stacking energy: -403.879 Base-Backbone interact. energy: -1.871 local terms energy: -555.420476 where: bonds (distance) C4'-P energy: -147.840 bonds (distance) P-C4' energy: -143.103 flat angles C4'-P-C4' energy: -115.837 flat angles P-C4'-P energy: -77.019 tors. eta vs tors. theta energy: -71.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1194.198661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.198661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.198661 (E_RNA) where: Base-Base interactions energy: -660.275 where: short stacking energy: -311.481 Base-Backbone interact. energy: -0.068 local terms energy: -533.855724 where: bonds (distance) C4'-P energy: -152.238 bonds (distance) P-C4' energy: -121.592 flat angles C4'-P-C4' energy: -132.634 flat angles P-C4'-P energy: -85.143 tors. eta vs tors. theta energy: -42.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -730.296142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.296142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.296142 (E_RNA) where: Base-Base interactions energy: -298.298 where: short stacking energy: -191.122 Base-Backbone interact. energy: 3.405 local terms energy: -435.403806 where: bonds (distance) C4'-P energy: -147.272 bonds (distance) P-C4' energy: -142.465 flat angles C4'-P-C4' energy: -101.029 flat angles P-C4'-P energy: -65.656 tors. eta vs tors. theta energy: 21.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2772.656876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.656876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.656876 (E_RNA) where: Base-Base interactions energy: -1904.915 where: short stacking energy: -810.663 Base-Backbone interact. energy: -3.791 local terms energy: -863.951404 where: bonds (distance) C4'-P energy: -167.570 bonds (distance) P-C4' energy: -152.581 flat angles C4'-P-C4' energy: -189.804 flat angles P-C4'-P energy: -123.413 tors. eta vs tors. theta energy: -230.582 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: 9 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2691.555018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.555018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.555018 (E_RNA) where: Base-Base interactions energy: -1854.657 where: short stacking energy: -771.671 Base-Backbone interact. energy: -0.351 local terms energy: -836.547219 where: bonds (distance) C4'-P energy: -167.890 bonds (distance) P-C4' energy: -157.108 flat angles C4'-P-C4' energy: -177.160 flat angles P-C4'-P energy: -107.647 tors. eta vs tors. theta energy: -226.741 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: 7 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2527.978794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.978794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.978794 (E_RNA) where: Base-Base interactions energy: -1743.596 where: short stacking energy: -748.269 Base-Backbone interact. energy: 0.012 local terms energy: -784.395071 where: bonds (distance) C4'-P energy: -157.961 bonds (distance) P-C4' energy: -159.090 flat angles C4'-P-C4' energy: -166.809 flat angles P-C4'-P energy: -99.916 tors. eta vs tors. theta energy: -200.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2406.539228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.539228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.539228 (E_RNA) where: Base-Base interactions energy: -1619.222 where: short stacking energy: -743.625 Base-Backbone interact. energy: -2.798 local terms energy: -784.519709 where: bonds (distance) C4'-P energy: -145.903 bonds (distance) P-C4' energy: -158.202 flat angles C4'-P-C4' energy: -181.050 flat angles P-C4'-P energy: -85.949 tors. eta vs tors. theta energy: -213.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2303.316616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.316616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.316616 (E_RNA) where: Base-Base interactions energy: -1534.274 where: short stacking energy: -663.199 Base-Backbone interact. energy: -1.419 local terms energy: -767.623434 where: bonds (distance) C4'-P energy: -134.170 bonds (distance) P-C4' energy: -152.214 flat angles C4'-P-C4' energy: -171.574 flat angles P-C4'-P energy: -112.038 tors. eta vs tors. theta energy: -197.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2041.738449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.738449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.738449 (E_RNA) where: Base-Base interactions energy: -1360.266 where: short stacking energy: -565.584 Base-Backbone interact. energy: -1.468 local terms energy: -680.004481 where: bonds (distance) C4'-P energy: -137.981 bonds (distance) P-C4' energy: -137.504 flat angles C4'-P-C4' energy: -158.330 flat angles P-C4'-P energy: -102.225 tors. eta vs tors. theta energy: -143.965 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: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1786.466907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.466907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.466907 (E_RNA) where: Base-Base interactions energy: -1170.150 where: short stacking energy: -526.191 Base-Backbone interact. energy: 0.523 local terms energy: -616.840392 where: bonds (distance) C4'-P energy: -128.991 bonds (distance) P-C4' energy: -149.648 flat angles C4'-P-C4' energy: -142.365 flat angles P-C4'-P energy: -88.863 tors. eta vs tors. theta energy: -106.973 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: 8, replica: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1376.645281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.645281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.645281 (E_RNA) where: Base-Base interactions energy: -817.418 where: short stacking energy: -376.175 Base-Backbone interact. energy: 1.622 local terms energy: -560.849260 where: bonds (distance) C4'-P energy: -121.713 bonds (distance) P-C4' energy: -149.494 flat angles C4'-P-C4' energy: -132.790 flat angles P-C4'-P energy: -89.869 tors. eta vs tors. theta energy: -66.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1295.878276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.878276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.878276 (E_RNA) where: Base-Base interactions energy: -766.882 where: short stacking energy: -359.655 Base-Backbone interact. energy: -2.400 local terms energy: -526.596177 where: bonds (distance) C4'-P energy: -122.849 bonds (distance) P-C4' energy: -132.790 flat angles C4'-P-C4' energy: -150.103 flat angles P-C4'-P energy: -82.121 tors. eta vs tors. theta energy: -38.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -724.384785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.384785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.384785 (E_RNA) where: Base-Base interactions energy: -306.862 where: short stacking energy: -195.700 Base-Backbone interact. energy: 0.207 local terms energy: -417.729906 where: bonds (distance) C4'-P energy: -143.766 bonds (distance) P-C4' energy: -118.444 flat angles C4'-P-C4' energy: -112.451 flat angles P-C4'-P energy: -54.359 tors. eta vs tors. theta energy: 11.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2758.394156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.394156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.394156 (E_RNA) where: Base-Base interactions energy: -1893.574 where: short stacking energy: -802.808 Base-Backbone interact. energy: -0.180 local terms energy: -864.641088 where: bonds (distance) C4'-P energy: -168.990 bonds (distance) P-C4' energy: -162.347 flat angles C4'-P-C4' energy: -182.463 flat angles P-C4'-P energy: -119.309 tors. eta vs tors. theta energy: -231.533 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: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2699.232099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.232099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.232099 (E_RNA) where: Base-Base interactions energy: -1844.009 where: short stacking energy: -781.247 Base-Backbone interact. energy: -3.625 local terms energy: -851.597943 where: bonds (distance) C4'-P energy: -156.461 bonds (distance) P-C4' energy: -167.104 flat angles C4'-P-C4' energy: -194.220 flat angles P-C4'-P energy: -109.722 tors. eta vs tors. theta energy: -224.092 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: 7 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2491.837658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.837658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.837658 (E_RNA) where: Base-Base interactions energy: -1688.315 where: short stacking energy: -690.793 Base-Backbone interact. energy: 1.795 local terms energy: -805.317418 where: bonds (distance) C4'-P energy: -143.918 bonds (distance) P-C4' energy: -159.475 flat angles C4'-P-C4' energy: -176.879 flat angles P-C4'-P energy: -115.757 tors. eta vs tors. theta energy: -209.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2488.089389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.089389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.089389 (E_RNA) where: Base-Base interactions energy: -1665.871 where: short stacking energy: -743.465 Base-Backbone interact. energy: -3.863 local terms energy: -818.354655 where: bonds (distance) C4'-P energy: -150.616 bonds (distance) P-C4' energy: -149.008 flat angles C4'-P-C4' energy: -176.810 flat angles P-C4'-P energy: -125.121 tors. eta vs tors. theta energy: -216.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2236.512170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.512170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.512170 (E_RNA) where: Base-Base interactions energy: -1472.067 where: short stacking energy: -641.683 Base-Backbone interact. energy: -1.660 local terms energy: -762.785965 where: bonds (distance) C4'-P energy: -141.974 bonds (distance) P-C4' energy: -161.122 flat angles C4'-P-C4' energy: -164.787 flat angles P-C4'-P energy: -105.537 tors. eta vs tors. theta energy: -189.365 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: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2001.107980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.107980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.107980 (E_RNA) where: Base-Base interactions energy: -1319.857 where: short stacking energy: -557.963 Base-Backbone interact. energy: -2.619 local terms energy: -678.631955 where: bonds (distance) C4'-P energy: -132.460 bonds (distance) P-C4' energy: -135.282 flat angles C4'-P-C4' energy: -155.534 flat angles P-C4'-P energy: -111.915 tors. eta vs tors. theta energy: -143.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1753.704827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.704827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.704827 (E_RNA) where: Base-Base interactions energy: -1147.426 where: short stacking energy: -493.391 Base-Backbone interact. energy: -0.161 local terms energy: -606.117613 where: bonds (distance) C4'-P energy: -131.763 bonds (distance) P-C4' energy: -143.367 flat angles C4'-P-C4' energy: -147.513 flat angles P-C4'-P energy: -76.480 tors. eta vs tors. theta energy: -106.995 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: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1427.443373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.443373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.443373 (E_RNA) where: Base-Base interactions energy: -861.118 where: short stacking energy: -409.855 Base-Backbone interact. energy: -1.543 local terms energy: -564.782552 where: bonds (distance) C4'-P energy: -136.054 bonds (distance) P-C4' energy: -130.278 flat angles C4'-P-C4' energy: -132.616 flat angles P-C4'-P energy: -102.490 tors. eta vs tors. theta energy: -63.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1313.567678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.567678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.567678 (E_RNA) where: Base-Base interactions energy: -804.013 where: short stacking energy: -383.301 Base-Backbone interact. energy: -4.823 local terms energy: -504.730918 where: bonds (distance) C4'-P energy: -103.639 bonds (distance) P-C4' energy: -138.177 flat angles C4'-P-C4' energy: -125.830 flat angles P-C4'-P energy: -85.690 tors. eta vs tors. theta energy: -51.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -742.902025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.902025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.902025 (E_RNA) where: Base-Base interactions energy: -353.790 where: short stacking energy: -231.230 Base-Backbone interact. energy: 3.331 local terms energy: -392.442861 where: bonds (distance) C4'-P energy: -135.647 bonds (distance) P-C4' energy: -111.786 flat angles C4'-P-C4' energy: -107.849 flat angles P-C4'-P energy: -55.802 tors. eta vs tors. theta energy: 18.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2778.419565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.419565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.419565 (E_RNA) where: Base-Base interactions energy: -1897.245 where: short stacking energy: -800.651 Base-Backbone interact. energy: -1.739 local terms energy: -879.435679 where: bonds (distance) C4'-P energy: -156.857 bonds (distance) P-C4' energy: -168.107 flat angles C4'-P-C4' energy: -176.607 flat angles P-C4'-P energy: -132.495 tors. eta vs tors. theta energy: -245.370 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: 9 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2651.160261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.160261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.160261 (E_RNA) where: Base-Base interactions energy: -1807.103 where: short stacking energy: -763.740 Base-Backbone interact. energy: -1.153 local terms energy: -842.903825 where: bonds (distance) C4'-P energy: -153.316 bonds (distance) P-C4' energy: -170.793 flat angles C4'-P-C4' energy: -180.126 flat angles P-C4'-P energy: -113.601 tors. eta vs tors. theta energy: -225.068 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: 7 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2535.147290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.147290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.147290 (E_RNA) where: Base-Base interactions energy: -1712.959 where: short stacking energy: -756.847 Base-Backbone interact. energy: -4.815 local terms energy: -817.372946 where: bonds (distance) C4'-P energy: -164.466 bonds (distance) P-C4' energy: -152.997 flat angles C4'-P-C4' energy: -159.166 flat angles P-C4'-P energy: -107.638 tors. eta vs tors. theta energy: -233.107 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: 2 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2469.616715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.616715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.616715 (E_RNA) where: Base-Base interactions energy: -1672.947 where: short stacking energy: -743.012 Base-Backbone interact. energy: -2.431 local terms energy: -794.237952 where: bonds (distance) C4'-P energy: -147.158 bonds (distance) P-C4' energy: -147.436 flat angles C4'-P-C4' energy: -174.865 flat angles P-C4'-P energy: -112.339 tors. eta vs tors. theta energy: -212.440 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: 228 Temperature: 1.100000 Total energy: -2295.699716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.699716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.699716 (E_RNA) where: Base-Base interactions energy: -1528.738 where: short stacking energy: -685.795 Base-Backbone interact. energy: 5.199 local terms energy: -772.160359 where: bonds (distance) C4'-P energy: -152.410 bonds (distance) P-C4' energy: -139.376 flat angles C4'-P-C4' energy: -164.879 flat angles P-C4'-P energy: -113.850 tors. eta vs tors. theta energy: -201.645 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: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2080.982887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.982887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.982887 (E_RNA) where: Base-Base interactions energy: -1433.752 where: short stacking energy: -594.524 Base-Backbone interact. energy: 3.845 local terms energy: -651.076089 where: bonds (distance) C4'-P energy: -139.826 bonds (distance) P-C4' energy: -135.649 flat angles C4'-P-C4' energy: -141.514 flat angles P-C4'-P energy: -103.807 tors. eta vs tors. theta energy: -130.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1753.356090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.356090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.356090 (E_RNA) where: Base-Base interactions energy: -1098.359 where: short stacking energy: -484.840 Base-Backbone interact. energy: 1.537 local terms energy: -656.534109 where: bonds (distance) C4'-P energy: -138.950 bonds (distance) P-C4' energy: -142.021 flat angles C4'-P-C4' energy: -153.133 flat angles P-C4'-P energy: -101.224 tors. eta vs tors. theta energy: -121.206 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: 228 Temperature: 1.250000 Total energy: -1326.300089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.300089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.300089 (E_RNA) where: Base-Base interactions energy: -782.815 where: short stacking energy: -366.742 Base-Backbone interact. energy: -2.390 local terms energy: -541.094989 where: bonds (distance) C4'-P energy: -137.783 bonds (distance) P-C4' energy: -126.387 flat angles C4'-P-C4' energy: -139.116 flat angles P-C4'-P energy: -71.184 tors. eta vs tors. theta energy: -66.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1251.701998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.701998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.701998 (E_RNA) where: Base-Base interactions energy: -705.030 where: short stacking energy: -324.066 Base-Backbone interact. energy: -4.356 local terms energy: -542.316031 where: bonds (distance) C4'-P energy: -119.485 bonds (distance) P-C4' energy: -151.021 flat angles C4'-P-C4' energy: -127.381 flat angles P-C4'-P energy: -88.006 tors. eta vs tors. theta energy: -56.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -736.700243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.700243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.700243 (E_RNA) where: Base-Base interactions energy: -328.939 where: short stacking energy: -192.445 Base-Backbone interact. energy: 9.087 local terms energy: -416.848260 where: bonds (distance) C4'-P energy: -125.370 bonds (distance) P-C4' energy: -137.060 flat angles C4'-P-C4' energy: -106.089 flat angles P-C4'-P energy: -73.032 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: 1, replica: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2774.587089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.587089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.587089 (E_RNA) where: Base-Base interactions energy: -1884.980 where: short stacking energy: -784.488 Base-Backbone interact. energy: -5.028 local terms energy: -884.579300 where: bonds (distance) C4'-P energy: -166.807 bonds (distance) P-C4' energy: -177.896 flat angles C4'-P-C4' energy: -181.753 flat angles P-C4'-P energy: -119.385 tors. eta vs tors. theta energy: -238.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2647.692881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.692881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.692881 (E_RNA) where: Base-Base interactions energy: -1798.109 where: short stacking energy: -767.032 Base-Backbone interact. energy: -3.455 local terms energy: -846.128860 where: bonds (distance) C4'-P energy: -147.138 bonds (distance) P-C4' energy: -156.273 flat angles C4'-P-C4' energy: -187.361 flat angles P-C4'-P energy: -127.343 tors. eta vs tors. theta energy: -228.015 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: 7 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2500.128751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.128751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.128751 (E_RNA) where: Base-Base interactions energy: -1688.849 where: short stacking energy: -706.668 Base-Backbone interact. energy: -3.111 local terms energy: -808.168443 where: bonds (distance) C4'-P energy: -159.010 bonds (distance) P-C4' energy: -153.613 flat angles C4'-P-C4' energy: -183.083 flat angles P-C4'-P energy: -112.919 tors. eta vs tors. theta energy: -199.543 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: 2 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2454.294704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.294704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.294704 (E_RNA) where: Base-Base interactions energy: -1667.349 where: short stacking energy: -736.264 Base-Backbone interact. energy: -2.228 local terms energy: -784.718034 where: bonds (distance) C4'-P energy: -136.170 bonds (distance) P-C4' energy: -151.641 flat angles C4'-P-C4' energy: -179.024 flat angles P-C4'-P energy: -112.708 tors. eta vs tors. theta energy: -205.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2249.920004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.920004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.920004 (E_RNA) where: Base-Base interactions energy: -1515.027 where: short stacking energy: -630.359 Base-Backbone interact. energy: 0.800 local terms energy: -735.692354 where: bonds (distance) C4'-P energy: -130.035 bonds (distance) P-C4' energy: -144.893 flat angles C4'-P-C4' energy: -171.784 flat angles P-C4'-P energy: -114.558 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: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2097.590892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.590892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.590892 (E_RNA) where: Base-Base interactions energy: -1417.927 where: short stacking energy: -580.033 Base-Backbone interact. energy: -1.268 local terms energy: -678.396556 where: bonds (distance) C4'-P energy: -154.512 bonds (distance) P-C4' energy: -138.774 flat angles C4'-P-C4' energy: -144.294 flat angles P-C4'-P energy: -89.917 tors. eta vs tors. theta energy: -150.899 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: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1743.878877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.878877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.878877 (E_RNA) where: Base-Base interactions energy: -1126.732 where: short stacking energy: -523.202 Base-Backbone interact. energy: 5.156 local terms energy: -622.303408 where: bonds (distance) C4'-P energy: -124.992 bonds (distance) P-C4' energy: -138.554 flat angles C4'-P-C4' energy: -161.273 flat angles P-C4'-P energy: -88.465 tors. eta vs tors. theta energy: -109.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1326.153598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.153598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.153598 (E_RNA) where: Base-Base interactions energy: -796.842 where: short stacking energy: -405.024 Base-Backbone interact. energy: 4.654 local terms energy: -533.966311 where: bonds (distance) C4'-P energy: -117.743 bonds (distance) P-C4' energy: -131.044 flat angles C4'-P-C4' energy: -146.977 flat angles P-C4'-P energy: -76.564 tors. eta vs tors. theta energy: -61.638 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: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1230.151994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.151994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.151994 (E_RNA) where: Base-Base interactions energy: -755.538 where: short stacking energy: -332.535 Base-Backbone interact. energy: 2.381 local terms energy: -476.995095 where: bonds (distance) C4'-P energy: -103.841 bonds (distance) P-C4' energy: -144.805 flat angles C4'-P-C4' energy: -105.833 flat angles P-C4'-P energy: -74.302 tors. eta vs tors. theta energy: -48.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -834.971854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.971854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.971854 (E_RNA) where: Base-Base interactions energy: -373.086 where: short stacking energy: -215.219 Base-Backbone interact. energy: 6.858 local terms energy: -468.744204 where: bonds (distance) C4'-P energy: -114.958 bonds (distance) P-C4' energy: -153.956 flat angles C4'-P-C4' energy: -124.105 flat angles P-C4'-P energy: -78.721 tors. eta vs tors. theta energy: 2.995 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: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2766.267306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.267306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.267306 (E_RNA) where: Base-Base interactions energy: -1902.129 where: short stacking energy: -795.803 Base-Backbone interact. energy: -3.205 local terms energy: -860.933486 where: bonds (distance) C4'-P energy: -156.159 bonds (distance) P-C4' energy: -168.065 flat angles C4'-P-C4' energy: -196.006 flat angles P-C4'-P energy: -109.257 tors. eta vs tors. theta energy: -231.446 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: 9 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2696.070449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.070449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.070449 (E_RNA) where: Base-Base interactions energy: -1832.250 where: short stacking energy: -802.370 Base-Backbone interact. energy: -0.713 local terms energy: -863.107417 where: bonds (distance) C4'-P energy: -164.079 bonds (distance) P-C4' energy: -167.794 flat angles C4'-P-C4' energy: -180.494 flat angles P-C4'-P energy: -118.704 tors. eta vs tors. theta energy: -232.037 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: 7 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2526.864342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.864342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.864342 (E_RNA) where: Base-Base interactions energy: -1718.631 where: short stacking energy: -725.560 Base-Backbone interact. energy: -3.980 local terms energy: -804.252585 where: bonds (distance) C4'-P energy: -153.448 bonds (distance) P-C4' energy: -157.270 flat angles C4'-P-C4' energy: -175.566 flat angles P-C4'-P energy: -112.317 tors. eta vs tors. theta energy: -205.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2383.046087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.046087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.046087 (E_RNA) where: Base-Base interactions energy: -1626.092 where: short stacking energy: -729.728 Base-Backbone interact. energy: 1.489 local terms energy: -758.443590 where: bonds (distance) C4'-P energy: -130.013 bonds (distance) P-C4' energy: -127.791 flat angles C4'-P-C4' energy: -186.835 flat angles P-C4'-P energy: -108.019 tors. eta vs tors. theta energy: -205.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2292.348512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.348512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.348512 (E_RNA) where: Base-Base interactions energy: -1544.551 where: short stacking energy: -687.688 Base-Backbone interact. energy: -4.496 local terms energy: -743.301666 where: bonds (distance) C4'-P energy: -148.779 bonds (distance) P-C4' energy: -143.724 flat angles C4'-P-C4' energy: -167.737 flat angles P-C4'-P energy: -103.171 tors. eta vs tors. theta energy: -179.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2067.857691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.857691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.857691 (E_RNA) where: Base-Base interactions energy: -1396.276 where: short stacking energy: -588.284 Base-Backbone interact. energy: 0.015 local terms energy: -671.596714 where: bonds (distance) C4'-P energy: -144.577 bonds (distance) P-C4' energy: -153.557 flat angles C4'-P-C4' energy: -145.033 flat angles P-C4'-P energy: -98.014 tors. eta vs tors. theta energy: -130.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1816.099343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.099343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.099343 (E_RNA) where: Base-Base interactions energy: -1201.930 where: short stacking energy: -506.800 Base-Backbone interact. energy: 0.219 local terms energy: -614.387533 where: bonds (distance) C4'-P energy: -131.792 bonds (distance) P-C4' energy: -146.463 flat angles C4'-P-C4' energy: -145.667 flat angles P-C4'-P energy: -84.391 tors. eta vs tors. theta energy: -106.073 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: 8, replica: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1385.263075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.263075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.263075 (E_RNA) where: Base-Base interactions energy: -847.052 where: short stacking energy: -407.273 Base-Backbone interact. energy: 4.263 local terms energy: -542.474713 where: bonds (distance) C4'-P energy: -133.337 bonds (distance) P-C4' energy: -131.395 flat angles C4'-P-C4' energy: -118.554 flat angles P-C4'-P energy: -83.243 tors. eta vs tors. theta energy: -75.946 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: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1246.703914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.703914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.703914 (E_RNA) where: Base-Base interactions energy: -757.183 where: short stacking energy: -334.521 Base-Backbone interact. energy: 0.876 local terms energy: -490.397323 where: bonds (distance) C4'-P energy: -124.122 bonds (distance) P-C4' energy: -142.464 flat angles C4'-P-C4' energy: -124.866 flat angles P-C4'-P energy: -64.206 tors. eta vs tors. theta energy: -34.740 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: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -803.815139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.815139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.815139 (E_RNA) where: Base-Base interactions energy: -400.005 where: short stacking energy: -224.396 Base-Backbone interact. energy: -1.606 local terms energy: -402.204434 where: bonds (distance) C4'-P energy: -125.306 bonds (distance) P-C4' energy: -137.498 flat angles C4'-P-C4' energy: -108.894 flat angles P-C4'-P energy: -52.553 tors. eta vs tors. theta energy: 22.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2786.241855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.241855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.241855 (E_RNA) where: Base-Base interactions energy: -1905.128 where: short stacking energy: -802.613 Base-Backbone interact. energy: 0.153 local terms energy: -881.267701 where: bonds (distance) C4'-P energy: -165.359 bonds (distance) P-C4' energy: -171.081 flat angles C4'-P-C4' energy: -195.682 flat angles P-C4'-P energy: -111.257 tors. eta vs tors. theta energy: -237.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2692.390222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.390222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.390222 (E_RNA) where: Base-Base interactions energy: -1795.765 where: short stacking energy: -789.607 Base-Backbone interact. energy: -2.942 local terms energy: -893.683525 where: bonds (distance) C4'-P energy: -171.505 bonds (distance) P-C4' energy: -173.938 flat angles C4'-P-C4' energy: -175.875 flat angles P-C4'-P energy: -121.102 tors. eta vs tors. theta energy: -251.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2524.473879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.473879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.473879 (E_RNA) where: Base-Base interactions energy: -1722.056 where: short stacking energy: -746.850 Base-Backbone interact. energy: -1.568 local terms energy: -800.850483 where: bonds (distance) C4'-P energy: -158.017 bonds (distance) P-C4' energy: -161.614 flat angles C4'-P-C4' energy: -174.212 flat angles P-C4'-P energy: -100.690 tors. eta vs tors. theta energy: -206.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2453.762984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.762984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.762984 (E_RNA) where: Base-Base interactions energy: -1643.754 where: short stacking energy: -707.696 Base-Backbone interact. energy: -2.740 local terms energy: -807.268375 where: bonds (distance) C4'-P energy: -156.444 bonds (distance) P-C4' energy: -146.170 flat angles C4'-P-C4' energy: -176.061 flat angles P-C4'-P energy: -124.648 tors. eta vs tors. theta energy: -203.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2352.161452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.161452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.161452 (E_RNA) where: Base-Base interactions energy: -1595.770 where: short stacking energy: -669.878 Base-Backbone interact. energy: -3.975 local terms energy: -752.416790 where: bonds (distance) C4'-P energy: -148.404 bonds (distance) P-C4' energy: -168.231 flat angles C4'-P-C4' energy: -156.650 flat angles P-C4'-P energy: -104.866 tors. eta vs tors. theta energy: -174.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2123.625002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.625002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.625002 (E_RNA) where: Base-Base interactions energy: -1448.521 where: short stacking energy: -615.281 Base-Backbone interact. energy: 2.018 local terms energy: -677.122006 where: bonds (distance) C4'-P energy: -128.414 bonds (distance) P-C4' energy: -144.935 flat angles C4'-P-C4' energy: -154.396 flat angles P-C4'-P energy: -94.317 tors. eta vs tors. theta energy: -155.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1839.659431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.659431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.659431 (E_RNA) where: Base-Base interactions energy: -1178.250 where: short stacking energy: -511.228 Base-Backbone interact. energy: -3.326 local terms energy: -658.082885 where: bonds (distance) C4'-P energy: -139.847 bonds (distance) P-C4' energy: -148.085 flat angles C4'-P-C4' energy: -161.071 flat angles P-C4'-P energy: -94.323 tors. eta vs tors. theta energy: -114.756 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: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1371.493975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.493975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.493975 (E_RNA) where: Base-Base interactions energy: -804.054 where: short stacking energy: -379.493 Base-Backbone interact. energy: -3.226 local terms energy: -564.214619 where: bonds (distance) C4'-P energy: -137.954 bonds (distance) P-C4' energy: -157.898 flat angles C4'-P-C4' energy: -140.647 flat angles P-C4'-P energy: -73.553 tors. eta vs tors. theta energy: -54.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1250.913510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.913510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.913510 (E_RNA) where: Base-Base interactions energy: -727.484 where: short stacking energy: -335.510 Base-Backbone interact. energy: 10.779 local terms energy: -534.209342 where: bonds (distance) C4'-P energy: -136.359 bonds (distance) P-C4' energy: -150.739 flat angles C4'-P-C4' energy: -135.348 flat angles P-C4'-P energy: -72.794 tors. eta vs tors. theta energy: -38.970 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: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -851.124930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.124930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.124930 (E_RNA) where: Base-Base interactions energy: -397.709 where: short stacking energy: -217.382 Base-Backbone interact. energy: -0.096 local terms energy: -453.319778 where: bonds (distance) C4'-P energy: -125.786 bonds (distance) P-C4' energy: -148.046 flat angles C4'-P-C4' energy: -112.457 flat angles P-C4'-P energy: -64.284 tors. eta vs tors. theta energy: -2.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2788.400818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.400818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.400818 (E_RNA) where: Base-Base interactions energy: -1930.869 where: short stacking energy: -799.367 Base-Backbone interact. energy: -0.636 local terms energy: -856.895678 where: bonds (distance) C4'-P energy: -162.726 bonds (distance) P-C4' energy: -156.434 flat angles C4'-P-C4' energy: -182.707 flat angles P-C4'-P energy: -118.892 tors. eta vs tors. theta energy: -236.137 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: 9 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2661.831917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.831917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.831917 (E_RNA) where: Base-Base interactions energy: -1817.281 where: short stacking energy: -839.977 Base-Backbone interact. energy: -1.309 local terms energy: -843.242566 where: bonds (distance) C4'-P energy: -159.274 bonds (distance) P-C4' energy: -151.979 flat angles C4'-P-C4' energy: -177.259 flat angles P-C4'-P energy: -119.709 tors. eta vs tors. theta energy: -235.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2543.577474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.577474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.577474 (E_RNA) where: Base-Base interactions energy: -1738.224 where: short stacking energy: -773.750 Base-Backbone interact. energy: -4.464 local terms energy: -800.889704 where: bonds (distance) C4'-P energy: -144.248 bonds (distance) P-C4' energy: -158.558 flat angles C4'-P-C4' energy: -159.154 flat angles P-C4'-P energy: -103.211 tors. eta vs tors. theta energy: -235.718 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: 4, replica: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2486.635848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.635848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.635848 (E_RNA) where: Base-Base interactions energy: -1682.306 where: short stacking energy: -691.751 Base-Backbone interact. energy: -2.635 local terms energy: -801.695316 where: bonds (distance) C4'-P energy: -155.522 bonds (distance) P-C4' energy: -146.675 flat angles C4'-P-C4' energy: -172.927 flat angles P-C4'-P energy: -131.326 tors. eta vs tors. theta energy: -195.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2297.612834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.612834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.612834 (E_RNA) where: Base-Base interactions energy: -1553.974 where: short stacking energy: -694.134 Base-Backbone interact. energy: 0.775 local terms energy: -744.413306 where: bonds (distance) C4'-P energy: -134.070 bonds (distance) P-C4' energy: -153.890 flat angles C4'-P-C4' energy: -148.396 flat angles P-C4'-P energy: -106.685 tors. eta vs tors. theta energy: -201.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2048.869643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.869643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.869643 (E_RNA) where: Base-Base interactions energy: -1396.877 where: short stacking energy: -573.204 Base-Backbone interact. energy: -1.955 local terms energy: -650.037788 where: bonds (distance) C4'-P energy: -123.751 bonds (distance) P-C4' energy: -166.335 flat angles C4'-P-C4' energy: -143.848 flat angles P-C4'-P energy: -76.383 tors. eta vs tors. theta energy: -139.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1884.485093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.485093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.485093 (E_RNA) where: Base-Base interactions energy: -1288.267 where: short stacking energy: -559.202 Base-Backbone interact. energy: -3.290 local terms energy: -592.928782 where: bonds (distance) C4'-P energy: -129.737 bonds (distance) P-C4' energy: -136.833 flat angles C4'-P-C4' energy: -130.153 flat angles P-C4'-P energy: -69.492 tors. eta vs tors. theta energy: -126.714 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: 8, replica: 3 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1363.782843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.782843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.782843 (E_RNA) where: Base-Base interactions energy: -835.152 where: short stacking energy: -400.647 Base-Backbone interact. energy: 2.978 local terms energy: -531.609284 where: bonds (distance) C4'-P energy: -127.837 bonds (distance) P-C4' energy: -132.703 flat angles C4'-P-C4' energy: -123.972 flat angles P-C4'-P energy: -85.397 tors. eta vs tors. theta energy: -61.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1248.065475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.065475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.065475 (E_RNA) where: Base-Base interactions energy: -718.230 where: short stacking energy: -327.580 Base-Backbone interact. energy: 3.517 local terms energy: -533.351543 where: bonds (distance) C4'-P energy: -131.020 bonds (distance) P-C4' energy: -144.117 flat angles C4'-P-C4' energy: -144.285 flat angles P-C4'-P energy: -79.646 tors. eta vs tors. theta energy: -34.284 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: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -893.805731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.805731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.805731 (E_RNA) where: Base-Base interactions energy: -484.191 where: short stacking energy: -227.986 Base-Backbone interact. energy: 7.582 local terms energy: -417.196444 where: bonds (distance) C4'-P energy: -141.118 bonds (distance) P-C4' energy: -140.430 flat angles C4'-P-C4' energy: -99.597 flat angles P-C4'-P energy: -46.334 tors. eta vs tors. theta energy: 10.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2792.910742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.910742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.910742 (E_RNA) where: Base-Base interactions energy: -1926.962 where: short stacking energy: -814.404 Base-Backbone interact. energy: -2.524 local terms energy: -863.424427 where: bonds (distance) C4'-P energy: -149.811 bonds (distance) P-C4' energy: -166.148 flat angles C4'-P-C4' energy: -187.991 flat angles P-C4'-P energy: -115.319 tors. eta vs tors. theta energy: -244.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2698.847869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.847869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.847869 (E_RNA) where: Base-Base interactions energy: -1831.533 where: short stacking energy: -817.957 Base-Backbone interact. energy: -3.778 local terms energy: -863.536249 where: bonds (distance) C4'-P energy: -162.372 bonds (distance) P-C4' energy: -150.490 flat angles C4'-P-C4' energy: -181.468 flat angles P-C4'-P energy: -122.696 tors. eta vs tors. theta energy: -246.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2507.104975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.104975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.104975 (E_RNA) where: Base-Base interactions energy: -1680.079 where: short stacking energy: -719.800 Base-Backbone interact. energy: -1.506 local terms energy: -825.520053 where: bonds (distance) C4'-P energy: -163.412 bonds (distance) P-C4' energy: -159.140 flat angles C4'-P-C4' energy: -171.819 flat angles P-C4'-P energy: -118.832 tors. eta vs tors. theta energy: -212.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2451.780360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.780360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.780360 (E_RNA) where: Base-Base interactions energy: -1679.853 where: short stacking energy: -720.944 Base-Backbone interact. energy: 0.705 local terms energy: -772.631904 where: bonds (distance) C4'-P energy: -138.395 bonds (distance) P-C4' energy: -170.489 flat angles C4'-P-C4' energy: -157.112 flat angles P-C4'-P energy: -102.112 tors. eta vs tors. theta energy: -204.524 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: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2284.566024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.566024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.566024 (E_RNA) where: Base-Base interactions energy: -1502.200 where: short stacking energy: -653.993 Base-Backbone interact. energy: -3.399 local terms energy: -778.967233 where: bonds (distance) C4'-P energy: -146.697 bonds (distance) P-C4' energy: -153.936 flat angles C4'-P-C4' energy: -171.166 flat angles P-C4'-P energy: -119.426 tors. eta vs tors. theta energy: -187.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2081.379133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.379133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.379133 (E_RNA) where: Base-Base interactions energy: -1439.045 where: short stacking energy: -579.868 Base-Backbone interact. energy: -5.121 local terms energy: -637.214082 where: bonds (distance) C4'-P energy: -127.819 bonds (distance) P-C4' energy: -134.504 flat angles C4'-P-C4' energy: -152.896 flat angles P-C4'-P energy: -73.974 tors. eta vs tors. theta energy: -148.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1871.849048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.849048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.849048 (E_RNA) where: Base-Base interactions energy: -1199.910 where: short stacking energy: -500.840 Base-Backbone interact. energy: -0.248 local terms energy: -671.690759 where: bonds (distance) C4'-P energy: -148.876 bonds (distance) P-C4' energy: -178.586 flat angles C4'-P-C4' energy: -150.101 flat angles P-C4'-P energy: -70.522 tors. eta vs tors. theta energy: -123.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1311.796849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.796849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.796849 (E_RNA) where: Base-Base interactions energy: -739.887 where: short stacking energy: -376.723 Base-Backbone interact. energy: -2.375 local terms energy: -569.534156 where: bonds (distance) C4'-P energy: -131.758 bonds (distance) P-C4' energy: -143.023 flat angles C4'-P-C4' energy: -140.095 flat angles P-C4'-P energy: -100.094 tors. eta vs tors. theta energy: -54.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1265.759619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.759619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.759619 (E_RNA) where: Base-Base interactions energy: -758.179 where: short stacking energy: -348.849 Base-Backbone interact. energy: -1.121 local terms energy: -506.459159 where: bonds (distance) C4'-P energy: -124.222 bonds (distance) P-C4' energy: -141.959 flat angles C4'-P-C4' energy: -126.335 flat angles P-C4'-P energy: -86.933 tors. eta vs tors. theta energy: -27.010 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: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -823.402843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.402843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.402843 (E_RNA) where: Base-Base interactions energy: -377.674 where: short stacking energy: -205.596 Base-Backbone interact. energy: 4.103 local terms energy: -449.831581 where: bonds (distance) C4'-P energy: -126.158 bonds (distance) P-C4' energy: -131.531 flat angles C4'-P-C4' energy: -109.853 flat angles P-C4'-P energy: -99.267 tors. eta vs tors. theta energy: 16.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2781.320314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.320314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.320314 (E_RNA) where: Base-Base interactions energy: -1897.709 where: short stacking energy: -816.922 Base-Backbone interact. energy: -3.067 local terms energy: -880.544065 where: bonds (distance) C4'-P energy: -153.524 bonds (distance) P-C4' energy: -167.856 flat angles C4'-P-C4' energy: -192.125 flat angles P-C4'-P energy: -136.730 tors. eta vs tors. theta energy: -230.309 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: 9 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2701.975405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.975405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.975405 (E_RNA) where: Base-Base interactions energy: -1855.801 where: short stacking energy: -813.874 Base-Backbone interact. energy: -1.234 local terms energy: -844.940927 where: bonds (distance) C4'-P energy: -153.254 bonds (distance) P-C4' energy: -152.210 flat angles C4'-P-C4' energy: -175.543 flat angles P-C4'-P energy: -117.356 tors. eta vs tors. theta energy: -246.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2498.804526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.804526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.804526 (E_RNA) where: Base-Base interactions energy: -1699.738 where: short stacking energy: -705.582 Base-Backbone interact. energy: -3.423 local terms energy: -795.643856 where: bonds (distance) C4'-P energy: -146.494 bonds (distance) P-C4' energy: -167.862 flat angles C4'-P-C4' energy: -181.816 flat angles P-C4'-P energy: -100.433 tors. eta vs tors. theta energy: -199.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2428.749347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.749347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.749347 (E_RNA) where: Base-Base interactions energy: -1652.211 where: short stacking energy: -706.502 Base-Backbone interact. energy: -0.466 local terms energy: -776.072076 where: bonds (distance) C4'-P energy: -157.999 bonds (distance) P-C4' energy: -140.348 flat angles C4'-P-C4' energy: -161.035 flat angles P-C4'-P energy: -110.069 tors. eta vs tors. theta energy: -206.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2260.312850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.312850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.312850 (E_RNA) where: Base-Base interactions energy: -1488.211 where: short stacking energy: -650.639 Base-Backbone interact. energy: 0.281 local terms energy: -772.383060 where: bonds (distance) C4'-P energy: -146.083 bonds (distance) P-C4' energy: -163.167 flat angles C4'-P-C4' energy: -153.473 flat angles P-C4'-P energy: -130.483 tors. eta vs tors. theta energy: -179.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2099.489843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.489843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.489843 (E_RNA) where: Base-Base interactions energy: -1420.132 where: short stacking energy: -592.397 Base-Backbone interact. energy: -3.728 local terms energy: -675.629042 where: bonds (distance) C4'-P energy: -116.041 bonds (distance) P-C4' energy: -136.831 flat angles C4'-P-C4' energy: -154.564 flat angles P-C4'-P energy: -100.352 tors. eta vs tors. theta energy: -167.841 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: 234 Temperature: 1.200000 Total energy: -1914.782155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.782155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.782155 (E_RNA) where: Base-Base interactions energy: -1255.881 where: short stacking energy: -551.724 Base-Backbone interact. energy: -4.279 local terms energy: -654.621661 where: bonds (distance) C4'-P energy: -133.021 bonds (distance) P-C4' energy: -159.453 flat angles C4'-P-C4' energy: -130.230 flat angles P-C4'-P energy: -98.872 tors. eta vs tors. theta energy: -133.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1369.101134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.101134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.101134 (E_RNA) where: Base-Base interactions energy: -797.739 where: short stacking energy: -409.600 Base-Backbone interact. energy: 0.420 local terms energy: -571.781837 where: bonds (distance) C4'-P energy: -136.316 bonds (distance) P-C4' energy: -134.619 flat angles C4'-P-C4' energy: -142.352 flat angles P-C4'-P energy: -87.090 tors. eta vs tors. theta energy: -71.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1255.175899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.175899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.175899 (E_RNA) where: Base-Base interactions energy: -710.284 where: short stacking energy: -318.260 Base-Backbone interact. energy: -3.437 local terms energy: -541.454364 where: bonds (distance) C4'-P energy: -140.168 bonds (distance) P-C4' energy: -130.048 flat angles C4'-P-C4' energy: -138.796 flat angles P-C4'-P energy: -90.209 tors. eta vs tors. theta energy: -42.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -791.400983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.400983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.400983 (E_RNA) where: Base-Base interactions energy: -338.156 where: short stacking energy: -202.642 Base-Backbone interact. energy: -1.661 local terms energy: -451.584387 where: bonds (distance) C4'-P energy: -131.966 bonds (distance) P-C4' energy: -139.639 flat angles C4'-P-C4' energy: -122.163 flat angles P-C4'-P energy: -74.122 tors. eta vs tors. theta energy: 16.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2770.442148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.442148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.442148 (E_RNA) where: Base-Base interactions energy: -1858.403 where: short stacking energy: -791.115 Base-Backbone interact. energy: -4.781 local terms energy: -907.257873 where: bonds (distance) C4'-P energy: -161.949 bonds (distance) P-C4' energy: -185.744 flat angles C4'-P-C4' energy: -189.001 flat angles P-C4'-P energy: -132.857 tors. eta vs tors. theta energy: -237.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2730.456203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.456203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.456203 (E_RNA) where: Base-Base interactions energy: -1842.374 where: short stacking energy: -805.012 Base-Backbone interact. energy: -1.123 local terms energy: -886.958571 where: bonds (distance) C4'-P energy: -161.409 bonds (distance) P-C4' energy: -168.664 flat angles C4'-P-C4' energy: -183.416 flat angles P-C4'-P energy: -126.493 tors. eta vs tors. theta energy: -246.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2494.608917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.608917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.608917 (E_RNA) where: Base-Base interactions energy: -1678.294 where: short stacking energy: -715.433 Base-Backbone interact. energy: -2.929 local terms energy: -813.386232 where: bonds (distance) C4'-P energy: -150.650 bonds (distance) P-C4' energy: -154.427 flat angles C4'-P-C4' energy: -179.138 flat angles P-C4'-P energy: -114.971 tors. eta vs tors. theta energy: -214.200 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: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2471.283780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.283780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.283780 (E_RNA) where: Base-Base interactions energy: -1654.099 where: short stacking energy: -743.544 Base-Backbone interact. energy: -1.520 local terms energy: -815.664084 where: bonds (distance) C4'-P energy: -146.539 bonds (distance) P-C4' energy: -153.628 flat angles C4'-P-C4' energy: -184.448 flat angles P-C4'-P energy: -121.085 tors. eta vs tors. theta energy: -209.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2244.671852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.671852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.671852 (E_RNA) where: Base-Base interactions energy: -1477.675 where: short stacking energy: -669.566 Base-Backbone interact. energy: -3.844 local terms energy: -763.153735 where: bonds (distance) C4'-P energy: -146.837 bonds (distance) P-C4' energy: -140.621 flat angles C4'-P-C4' energy: -170.752 flat angles P-C4'-P energy: -113.992 tors. eta vs tors. theta energy: -190.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2022.659034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.659034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.659034 (E_RNA) where: Base-Base interactions energy: -1334.720 where: short stacking energy: -569.128 Base-Backbone interact. energy: -0.460 local terms energy: -687.478686 where: bonds (distance) C4'-P energy: -126.762 bonds (distance) P-C4' energy: -159.984 flat angles C4'-P-C4' energy: -147.120 flat angles P-C4'-P energy: -100.857 tors. eta vs tors. theta energy: -152.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1902.877123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.877123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.877123 (E_RNA) where: Base-Base interactions energy: -1228.556 where: short stacking energy: -524.098 Base-Backbone interact. energy: -3.333 local terms energy: -670.988232 where: bonds (distance) C4'-P energy: -155.407 bonds (distance) P-C4' energy: -143.382 flat angles C4'-P-C4' energy: -151.669 flat angles P-C4'-P energy: -86.213 tors. eta vs tors. theta energy: -134.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1349.001758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.001758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.001758 (E_RNA) where: Base-Base interactions energy: -829.523 where: short stacking energy: -415.219 Base-Backbone interact. energy: 2.367 local terms energy: -521.845468 where: bonds (distance) C4'-P energy: -128.748 bonds (distance) P-C4' energy: -120.770 flat angles C4'-P-C4' energy: -125.926 flat angles P-C4'-P energy: -82.613 tors. eta vs tors. theta energy: -63.789 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: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1238.829449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.829449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.829449 (E_RNA) where: Base-Base interactions energy: -713.690 where: short stacking energy: -337.706 Base-Backbone interact. energy: 3.729 local terms energy: -528.867835 where: bonds (distance) C4'-P energy: -114.742 bonds (distance) P-C4' energy: -139.644 flat angles C4'-P-C4' energy: -135.802 flat angles P-C4'-P energy: -87.639 tors. eta vs tors. theta energy: -51.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -827.976793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.976793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.976793 (E_RNA) where: Base-Base interactions energy: -405.478 where: short stacking energy: -235.677 Base-Backbone interact. energy: 3.558 local terms energy: -426.057142 where: bonds (distance) C4'-P energy: -127.892 bonds (distance) P-C4' energy: -131.271 flat angles C4'-P-C4' energy: -110.620 flat angles P-C4'-P energy: -57.778 tors. eta vs tors. theta energy: 1.505 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: 1, replica: 9 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2751.146871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.146871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.146871 (E_RNA) where: Base-Base interactions energy: -1861.437 where: short stacking energy: -817.767 Base-Backbone interact. energy: -1.074 local terms energy: -888.635937 where: bonds (distance) C4'-P energy: -154.860 bonds (distance) P-C4' energy: -172.094 flat angles C4'-P-C4' energy: -192.651 flat angles P-C4'-P energy: -127.878 tors. eta vs tors. theta energy: -241.152 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: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2731.893494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.893494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.893494 (E_RNA) where: Base-Base interactions energy: -1834.608 where: short stacking energy: -778.052 Base-Backbone interact. energy: -2.103 local terms energy: -895.182099 where: bonds (distance) C4'-P energy: -171.865 bonds (distance) P-C4' energy: -184.950 flat angles C4'-P-C4' energy: -185.310 flat angles P-C4'-P energy: -129.229 tors. eta vs tors. theta energy: -223.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2591.972274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.972274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.972274 (E_RNA) where: Base-Base interactions energy: -1750.152 where: short stacking energy: -782.814 Base-Backbone interact. energy: -1.113 local terms energy: -840.706943 where: bonds (distance) C4'-P energy: -158.427 bonds (distance) P-C4' energy: -151.598 flat angles C4'-P-C4' energy: -180.657 flat angles P-C4'-P energy: -123.017 tors. eta vs tors. theta energy: -227.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2422.381326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.381326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.381326 (E_RNA) where: Base-Base interactions energy: -1656.147 where: short stacking energy: -686.649 Base-Backbone interact. energy: -6.893 local terms energy: -759.341382 where: bonds (distance) C4'-P energy: -137.223 bonds (distance) P-C4' energy: -149.017 flat angles C4'-P-C4' energy: -179.358 flat angles P-C4'-P energy: -88.668 tors. eta vs tors. theta energy: -205.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2253.669491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.669491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.669491 (E_RNA) where: Base-Base interactions energy: -1508.023 where: short stacking energy: -657.905 Base-Backbone interact. energy: 0.264 local terms energy: -745.909978 where: bonds (distance) C4'-P energy: -126.644 bonds (distance) P-C4' energy: -170.398 flat angles C4'-P-C4' energy: -162.206 flat angles P-C4'-P energy: -107.333 tors. eta vs tors. theta energy: -179.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2042.917778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.917778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.917778 (E_RNA) where: Base-Base interactions energy: -1331.039 where: short stacking energy: -563.094 Base-Backbone interact. energy: -0.162 local terms energy: -711.716898 where: bonds (distance) C4'-P energy: -149.168 bonds (distance) P-C4' energy: -147.311 flat angles C4'-P-C4' energy: -169.177 flat angles P-C4'-P energy: -100.009 tors. eta vs tors. theta energy: -146.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1883.812107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.812107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.812107 (E_RNA) where: Base-Base interactions energy: -1218.496 where: short stacking energy: -537.004 Base-Backbone interact. energy: -2.201 local terms energy: -663.115257 where: bonds (distance) C4'-P energy: -142.117 bonds (distance) P-C4' energy: -142.906 flat angles C4'-P-C4' energy: -150.565 flat angles P-C4'-P energy: -93.167 tors. eta vs tors. theta energy: -134.360 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: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1257.695598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.695598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.695598 (E_RNA) where: Base-Base interactions energy: -706.743 where: short stacking energy: -374.567 Base-Backbone interact. energy: -1.573 local terms energy: -549.379312 where: bonds (distance) C4'-P energy: -120.876 bonds (distance) P-C4' energy: -141.816 flat angles C4'-P-C4' energy: -123.739 flat angles P-C4'-P energy: -85.634 tors. eta vs tors. theta energy: -77.315 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: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1228.133293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.133293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.133293 (E_RNA) where: Base-Base interactions energy: -701.192 where: short stacking energy: -341.798 Base-Backbone interact. energy: -2.835 local terms energy: -524.105647 where: bonds (distance) C4'-P energy: -117.355 bonds (distance) P-C4' energy: -145.683 flat angles C4'-P-C4' energy: -145.915 flat angles P-C4'-P energy: -66.797 tors. eta vs tors. theta energy: -48.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -783.129512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.129512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.129512 (E_RNA) where: Base-Base interactions energy: -390.081 where: short stacking energy: -185.625 Base-Backbone interact. energy: -2.361 local terms energy: -390.686962 where: bonds (distance) C4'-P energy: -127.946 bonds (distance) P-C4' energy: -136.475 flat angles C4'-P-C4' energy: -103.699 flat angles P-C4'-P energy: -63.050 tors. eta vs tors. theta energy: 40.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2772.139741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.139741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.139741 (E_RNA) where: Base-Base interactions energy: -1861.572 where: short stacking energy: -845.682 Base-Backbone interact. energy: -0.929 local terms energy: -909.638911 where: bonds (distance) C4'-P energy: -169.783 bonds (distance) P-C4' energy: -166.199 flat angles C4'-P-C4' energy: -194.544 flat angles P-C4'-P energy: -139.370 tors. eta vs tors. theta energy: -239.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2712.734216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.734216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.734216 (E_RNA) where: Base-Base interactions energy: -1862.728 where: short stacking energy: -779.024 Base-Backbone interact. energy: -2.740 local terms energy: -847.266931 where: bonds (distance) C4'-P energy: -154.499 bonds (distance) P-C4' energy: -155.232 flat angles C4'-P-C4' energy: -184.211 flat angles P-C4'-P energy: -127.976 tors. eta vs tors. theta energy: -225.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2569.686812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.686812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.686812 (E_RNA) where: Base-Base interactions energy: -1775.588 where: short stacking energy: -776.900 Base-Backbone interact. energy: -2.149 local terms energy: -791.949879 where: bonds (distance) C4'-P energy: -140.594 bonds (distance) P-C4' energy: -150.248 flat angles C4'-P-C4' energy: -174.432 flat angles P-C4'-P energy: -113.001 tors. eta vs tors. theta energy: -213.675 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: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2424.592774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.592774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.592774 (E_RNA) where: Base-Base interactions energy: -1632.249 where: short stacking energy: -699.471 Base-Backbone interact. energy: -2.634 local terms energy: -789.709949 where: bonds (distance) C4'-P energy: -148.942 bonds (distance) P-C4' energy: -161.825 flat angles C4'-P-C4' energy: -181.751 flat angles P-C4'-P energy: -109.311 tors. eta vs tors. theta energy: -187.880 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: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2258.628058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.628058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.628058 (E_RNA) where: Base-Base interactions energy: -1521.616 where: short stacking energy: -680.901 Base-Backbone interact. energy: -0.705 local terms energy: -736.307328 where: bonds (distance) C4'-P energy: -152.072 bonds (distance) P-C4' energy: -133.632 flat angles C4'-P-C4' energy: -165.273 flat angles P-C4'-P energy: -108.143 tors. eta vs tors. theta energy: -177.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2014.300359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.300359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.300359 (E_RNA) where: Base-Base interactions energy: -1331.836 where: short stacking energy: -583.537 Base-Backbone interact. energy: -1.313 local terms energy: -681.151450 where: bonds (distance) C4'-P energy: -140.302 bonds (distance) P-C4' energy: -139.461 flat angles C4'-P-C4' energy: -158.990 flat angles P-C4'-P energy: -100.870 tors. eta vs tors. theta energy: -141.528 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: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1824.788874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.788874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.788874 (E_RNA) where: Base-Base interactions energy: -1175.517 where: short stacking energy: -516.564 Base-Backbone interact. energy: -1.227 local terms energy: -648.044715 where: bonds (distance) C4'-P energy: -126.604 bonds (distance) P-C4' energy: -155.450 flat angles C4'-P-C4' energy: -148.916 flat angles P-C4'-P energy: -93.024 tors. eta vs tors. theta energy: -124.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1311.390113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.390113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.390113 (E_RNA) where: Base-Base interactions energy: -759.826 where: short stacking energy: -372.903 Base-Backbone interact. energy: 1.613 local terms energy: -553.177071 where: bonds (distance) C4'-P energy: -119.586 bonds (distance) P-C4' energy: -166.851 flat angles C4'-P-C4' energy: -142.426 flat angles P-C4'-P energy: -89.153 tors. eta vs tors. theta energy: -35.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1218.730835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.730835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.730835 (E_RNA) where: Base-Base interactions energy: -696.601 where: short stacking energy: -328.252 Base-Backbone interact. energy: -1.519 local terms energy: -520.610405 where: bonds (distance) C4'-P energy: -123.164 bonds (distance) P-C4' energy: -135.194 flat angles C4'-P-C4' energy: -130.214 flat angles P-C4'-P energy: -88.695 tors. eta vs tors. theta energy: -43.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -816.004868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.004868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.004868 (E_RNA) where: Base-Base interactions energy: -391.605 where: short stacking energy: -221.562 Base-Backbone interact. energy: -0.083 local terms energy: -424.316524 where: bonds (distance) C4'-P energy: -127.451 bonds (distance) P-C4' energy: -125.493 flat angles C4'-P-C4' energy: -114.638 flat angles P-C4'-P energy: -52.532 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: 9 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2804.930880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.930880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.930880 (E_RNA) where: Base-Base interactions energy: -1883.549 where: short stacking energy: -829.916 Base-Backbone interact. energy: -3.380 local terms energy: -918.001917 where: bonds (distance) C4'-P energy: -182.107 bonds (distance) P-C4' energy: -176.501 flat angles C4'-P-C4' energy: -182.112 flat angles P-C4'-P energy: -134.415 tors. eta vs tors. theta energy: -242.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2749.900788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.900788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.900788 (E_RNA) where: Base-Base interactions energy: -1886.042 where: short stacking energy: -788.227 Base-Backbone interact. energy: -3.102 local terms energy: -860.757560 where: bonds (distance) C4'-P energy: -170.101 bonds (distance) P-C4' energy: -157.725 flat angles C4'-P-C4' energy: -181.739 flat angles P-C4'-P energy: -122.844 tors. eta vs tors. theta energy: -228.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2629.304407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.304407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.304407 (E_RNA) where: Base-Base interactions energy: -1807.001 where: short stacking energy: -763.680 Base-Backbone interact. energy: -2.694 local terms energy: -819.609211 where: bonds (distance) C4'-P energy: -156.012 bonds (distance) P-C4' energy: -154.369 flat angles C4'-P-C4' energy: -174.248 flat angles P-C4'-P energy: -113.580 tors. eta vs tors. theta energy: -221.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2414.539192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.539192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.539192 (E_RNA) where: Base-Base interactions energy: -1615.925 where: short stacking energy: -679.872 Base-Backbone interact. energy: 0.415 local terms energy: -799.029121 where: bonds (distance) C4'-P energy: -151.113 bonds (distance) P-C4' energy: -154.741 flat angles C4'-P-C4' energy: -171.521 flat angles P-C4'-P energy: -108.315 tors. eta vs tors. theta energy: -213.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2264.979663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.979663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.979663 (E_RNA) where: Base-Base interactions energy: -1516.229 where: short stacking energy: -674.335 Base-Backbone interact. energy: -2.142 local terms energy: -746.609215 where: bonds (distance) C4'-P energy: -133.880 bonds (distance) P-C4' energy: -129.961 flat angles C4'-P-C4' energy: -169.383 flat angles P-C4'-P energy: -115.621 tors. eta vs tors. theta energy: -197.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2005.749311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.749311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.749311 (E_RNA) where: Base-Base interactions energy: -1317.387 where: short stacking energy: -552.822 Base-Backbone interact. energy: -2.527 local terms energy: -685.835921 where: bonds (distance) C4'-P energy: -145.532 bonds (distance) P-C4' energy: -156.274 flat angles C4'-P-C4' energy: -165.403 flat angles P-C4'-P energy: -90.680 tors. eta vs tors. theta energy: -127.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1835.119088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.119088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.119088 (E_RNA) where: Base-Base interactions energy: -1204.402 where: short stacking energy: -540.800 Base-Backbone interact. energy: 1.326 local terms energy: -632.042997 where: bonds (distance) C4'-P energy: -124.928 bonds (distance) P-C4' energy: -139.256 flat angles C4'-P-C4' energy: -148.364 flat angles P-C4'-P energy: -76.181 tors. eta vs tors. theta energy: -143.314 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: 8, replica: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1339.354022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.354022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.354022 (E_RNA) where: Base-Base interactions energy: -805.808 where: short stacking energy: -374.910 Base-Backbone interact. energy: -1.592 local terms energy: -531.953925 where: bonds (distance) C4'-P energy: -138.809 bonds (distance) P-C4' energy: -120.569 flat angles C4'-P-C4' energy: -143.054 flat angles P-C4'-P energy: -81.838 tors. eta vs tors. theta energy: -47.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1163.540597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.540597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.540597 (E_RNA) where: Base-Base interactions energy: -664.363 where: short stacking energy: -316.592 Base-Backbone interact. energy: 5.563 local terms energy: -504.741105 where: bonds (distance) C4'-P energy: -134.689 bonds (distance) P-C4' energy: -160.864 flat angles C4'-P-C4' energy: -108.133 flat angles P-C4'-P energy: -81.901 tors. eta vs tors. theta energy: -19.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -813.621145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.621145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.621145 (E_RNA) where: Base-Base interactions energy: -376.334 where: short stacking energy: -239.960 Base-Backbone interact. energy: 4.353 local terms energy: -441.639512 where: bonds (distance) C4'-P energy: -138.803 bonds (distance) P-C4' energy: -148.342 flat angles C4'-P-C4' energy: -107.628 flat angles P-C4'-P energy: -49.325 tors. eta vs tors. theta energy: 2.459 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: 9 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2799.379816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.379816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.379816 (E_RNA) where: Base-Base interactions energy: -1910.651 where: short stacking energy: -839.097 Base-Backbone interact. energy: -6.095 local terms energy: -882.634357 where: bonds (distance) C4'-P energy: -158.053 bonds (distance) P-C4' energy: -157.701 flat angles C4'-P-C4' energy: -199.355 flat angles P-C4'-P energy: -125.872 tors. eta vs tors. theta energy: -241.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2701.537826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.537826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.537826 (E_RNA) where: Base-Base interactions energy: -1835.820 where: short stacking energy: -772.717 Base-Backbone interact. energy: 0.678 local terms energy: -866.396087 where: bonds (distance) C4'-P energy: -161.374 bonds (distance) P-C4' energy: -168.806 flat angles C4'-P-C4' energy: -183.786 flat angles P-C4'-P energy: -129.291 tors. eta vs tors. theta energy: -223.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2599.725110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.725110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.725110 (E_RNA) where: Base-Base interactions energy: -1757.278 where: short stacking energy: -756.880 Base-Backbone interact. energy: 3.145 local terms energy: -845.592862 where: bonds (distance) C4'-P energy: -167.317 bonds (distance) P-C4' energy: -158.847 flat angles C4'-P-C4' energy: -168.831 flat angles P-C4'-P energy: -125.766 tors. eta vs tors. theta energy: -224.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2428.844507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.844507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.844507 (E_RNA) where: Base-Base interactions energy: -1672.661 where: short stacking energy: -702.392 Base-Backbone interact. energy: 10.131 local terms energy: -766.314603 where: bonds (distance) C4'-P energy: -149.262 bonds (distance) P-C4' energy: -144.576 flat angles C4'-P-C4' energy: -164.116 flat angles P-C4'-P energy: -104.805 tors. eta vs tors. theta energy: -203.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2251.674307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.674307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.674307 (E_RNA) where: Base-Base interactions energy: -1517.464 where: short stacking energy: -644.712 Base-Backbone interact. energy: -0.660 local terms energy: -733.550842 where: bonds (distance) C4'-P energy: -145.855 bonds (distance) P-C4' energy: -137.676 flat angles C4'-P-C4' energy: -169.050 flat angles P-C4'-P energy: -96.689 tors. eta vs tors. theta energy: -184.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2003.929152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.929152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.929152 (E_RNA) where: Base-Base interactions energy: -1357.147 where: short stacking energy: -572.024 Base-Backbone interact. energy: 0.561 local terms energy: -647.342802 where: bonds (distance) C4'-P energy: -138.409 bonds (distance) P-C4' energy: -134.881 flat angles C4'-P-C4' energy: -138.836 flat angles P-C4'-P energy: -89.764 tors. eta vs tors. theta energy: -145.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1728.573268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.573268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.573268 (E_RNA) where: Base-Base interactions energy: -1103.705 where: short stacking energy: -468.628 Base-Backbone interact. energy: -0.374 local terms energy: -624.495044 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -147.628 flat angles C4'-P-C4' energy: -145.229 flat angles P-C4'-P energy: -105.838 tors. eta vs tors. theta energy: -78.962 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: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1332.129502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.129502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.129502 (E_RNA) where: Base-Base interactions energy: -812.115 where: short stacking energy: -378.473 Base-Backbone interact. energy: -0.575 local terms energy: -519.438756 where: bonds (distance) C4'-P energy: -127.059 bonds (distance) P-C4' energy: -154.096 flat angles C4'-P-C4' energy: -116.889 flat angles P-C4'-P energy: -69.340 tors. eta vs tors. theta energy: -52.055 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: 3 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1183.199943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.199943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.199943 (E_RNA) where: Base-Base interactions energy: -670.789 where: short stacking energy: -329.854 Base-Backbone interact. energy: -4.380 local terms energy: -508.030962 where: bonds (distance) C4'-P energy: -128.279 bonds (distance) P-C4' energy: -147.879 flat angles C4'-P-C4' energy: -122.078 flat angles P-C4'-P energy: -72.294 tors. eta vs tors. theta energy: -37.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -794.694094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.694094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.694094 (E_RNA) where: Base-Base interactions energy: -351.526 where: short stacking energy: -197.783 Base-Backbone interact. energy: 1.034 local terms energy: -444.202089 where: bonds (distance) C4'-P energy: -128.706 bonds (distance) P-C4' energy: -138.100 flat angles C4'-P-C4' energy: -123.376 flat angles P-C4'-P energy: -69.173 tors. eta vs tors. theta energy: 15.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2795.634678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.634678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.634678 (E_RNA) where: Base-Base interactions energy: -1896.003 where: short stacking energy: -832.404 Base-Backbone interact. energy: -0.941 local terms energy: -898.690311 where: bonds (distance) C4'-P energy: -156.900 bonds (distance) P-C4' energy: -161.893 flat angles C4'-P-C4' energy: -202.933 flat angles P-C4'-P energy: -139.785 tors. eta vs tors. theta energy: -237.179 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: 240 Temperature: 0.950000 Total energy: -2697.469765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.469765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.469765 (E_RNA) where: Base-Base interactions energy: -1868.929 where: short stacking energy: -783.471 Base-Backbone interact. energy: -5.986 local terms energy: -822.554885 where: bonds (distance) C4'-P energy: -142.892 bonds (distance) P-C4' energy: -158.392 flat angles C4'-P-C4' energy: -170.036 flat angles P-C4'-P energy: -118.811 tors. eta vs tors. theta energy: -232.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2599.154649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.154649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.154649 (E_RNA) where: Base-Base interactions energy: -1757.600 where: short stacking energy: -755.999 Base-Backbone interact. energy: -1.547 local terms energy: -840.008165 where: bonds (distance) C4'-P energy: -158.518 bonds (distance) P-C4' energy: -148.687 flat angles C4'-P-C4' energy: -182.549 flat angles P-C4'-P energy: -126.336 tors. eta vs tors. theta energy: -223.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2429.268173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.268173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.268173 (E_RNA) where: Base-Base interactions energy: -1652.386 where: short stacking energy: -676.385 Base-Backbone interact. energy: -2.113 local terms energy: -774.768609 where: bonds (distance) C4'-P energy: -132.002 bonds (distance) P-C4' energy: -152.713 flat angles C4'-P-C4' energy: -183.933 flat angles P-C4'-P energy: -107.280 tors. eta vs tors. theta energy: -198.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2241.619093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.619093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.619093 (E_RNA) where: Base-Base interactions energy: -1510.462 where: short stacking energy: -656.445 Base-Backbone interact. energy: 0.129 local terms energy: -731.286782 where: bonds (distance) C4'-P energy: -152.028 bonds (distance) P-C4' energy: -147.369 flat angles C4'-P-C4' energy: -172.248 flat angles P-C4'-P energy: -95.771 tors. eta vs tors. theta energy: -163.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1938.740791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.740791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.740791 (E_RNA) where: Base-Base interactions energy: -1324.791 where: short stacking energy: -539.872 Base-Backbone interact. energy: -6.180 local terms energy: -607.769248 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -138.944 flat angles C4'-P-C4' energy: -146.654 flat angles P-C4'-P energy: -91.343 tors. eta vs tors. theta energy: -105.641 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: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1734.815244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.815244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.815244 (E_RNA) where: Base-Base interactions energy: -1117.757 where: short stacking energy: -493.111 Base-Backbone interact. energy: -0.544 local terms energy: -616.514287 where: bonds (distance) C4'-P energy: -118.360 bonds (distance) P-C4' energy: -150.800 flat angles C4'-P-C4' energy: -150.429 flat angles P-C4'-P energy: -79.955 tors. eta vs tors. theta energy: -116.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1391.366178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.366178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.366178 (E_RNA) where: Base-Base interactions energy: -823.705 where: short stacking energy: -398.026 Base-Backbone interact. energy: -2.321 local terms energy: -565.339961 where: bonds (distance) C4'-P energy: -143.454 bonds (distance) P-C4' energy: -146.156 flat angles C4'-P-C4' energy: -131.834 flat angles P-C4'-P energy: -84.672 tors. eta vs tors. theta energy: -59.225 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: 3 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1134.027829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.027829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.027829 (E_RNA) where: Base-Base interactions energy: -634.849 where: short stacking energy: -323.888 Base-Backbone interact. energy: -0.776 local terms energy: -498.403044 where: bonds (distance) C4'-P energy: -144.133 bonds (distance) P-C4' energy: -129.797 flat angles C4'-P-C4' energy: -115.401 flat angles P-C4'-P energy: -78.550 tors. eta vs tors. theta energy: -30.521 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: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -834.646171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.646171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.646171 (E_RNA) where: Base-Base interactions energy: -399.858 where: short stacking energy: -234.583 Base-Backbone interact. energy: 7.118 local terms energy: -441.906108 where: bonds (distance) C4'-P energy: -128.696 bonds (distance) P-C4' energy: -127.687 flat angles C4'-P-C4' energy: -122.260 flat angles P-C4'-P energy: -75.211 tors. eta vs tors. theta energy: 11.948 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: 1, replica: 9 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2773.241628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.241628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.241628 (E_RNA) where: Base-Base interactions energy: -1876.752 where: short stacking energy: -831.837 Base-Backbone interact. energy: -2.631 local terms energy: -893.858555 where: bonds (distance) C4'-P energy: -166.589 bonds (distance) P-C4' energy: -171.020 flat angles C4'-P-C4' energy: -179.566 flat angles P-C4'-P energy: -136.137 tors. eta vs tors. theta energy: -240.546 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: 241 Temperature: 0.950000 Total energy: -2684.285790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.285790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.285790 (E_RNA) where: Base-Base interactions energy: -1854.872 where: short stacking energy: -772.866 Base-Backbone interact. energy: -3.014 local terms energy: -826.399554 where: bonds (distance) C4'-P energy: -159.130 bonds (distance) P-C4' energy: -149.114 flat angles C4'-P-C4' energy: -181.205 flat angles P-C4'-P energy: -113.902 tors. eta vs tors. theta energy: -223.048 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: 3, replica: 2 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2581.278621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.278621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.278621 (E_RNA) where: Base-Base interactions energy: -1772.372 where: short stacking energy: -776.897 Base-Backbone interact. energy: -1.216 local terms energy: -807.691154 where: bonds (distance) C4'-P energy: -146.456 bonds (distance) P-C4' energy: -138.703 flat angles C4'-P-C4' energy: -173.985 flat angles P-C4'-P energy: -112.369 tors. eta vs tors. theta energy: -236.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2454.587571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.587571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.587571 (E_RNA) where: Base-Base interactions energy: -1674.551 where: short stacking energy: -694.536 Base-Backbone interact. energy: 5.455 local terms energy: -785.491564 where: bonds (distance) C4'-P energy: -156.312 bonds (distance) P-C4' energy: -148.526 flat angles C4'-P-C4' energy: -164.724 flat angles P-C4'-P energy: -113.368 tors. eta vs tors. theta energy: -202.562 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: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2376.545179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.545179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.545179 (E_RNA) where: Base-Base interactions energy: -1579.748 where: short stacking energy: -685.369 Base-Backbone interact. energy: 0.768 local terms energy: -797.564890 where: bonds (distance) C4'-P energy: -141.790 bonds (distance) P-C4' energy: -170.965 flat angles C4'-P-C4' energy: -168.049 flat angles P-C4'-P energy: -110.196 tors. eta vs tors. theta energy: -206.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1953.750779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.750779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.750779 (E_RNA) where: Base-Base interactions energy: -1264.308 where: short stacking energy: -552.004 Base-Backbone interact. energy: -5.055 local terms energy: -684.387331 where: bonds (distance) C4'-P energy: -138.203 bonds (distance) P-C4' energy: -148.026 flat angles C4'-P-C4' energy: -158.301 flat angles P-C4'-P energy: -94.347 tors. eta vs tors. theta energy: -145.510 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: 7, replica: 5 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1757.887366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.887366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.887366 (E_RNA) where: Base-Base interactions energy: -1121.420 where: short stacking energy: -482.379 Base-Backbone interact. energy: 0.809 local terms energy: -637.276120 where: bonds (distance) C4'-P energy: -134.924 bonds (distance) P-C4' energy: -141.172 flat angles C4'-P-C4' energy: -146.868 flat angles P-C4'-P energy: -98.422 tors. eta vs tors. theta energy: -115.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1330.905831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.905831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.905831 (E_RNA) where: Base-Base interactions energy: -799.929 where: short stacking energy: -387.966 Base-Backbone interact. energy: 5.720 local terms energy: -536.696725 where: bonds (distance) C4'-P energy: -118.780 bonds (distance) P-C4' energy: -141.041 flat angles C4'-P-C4' energy: -121.260 flat angles P-C4'-P energy: -91.976 tors. eta vs tors. theta energy: -63.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1126.470249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.470249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.470249 (E_RNA) where: Base-Base interactions energy: -643.417 where: short stacking energy: -346.351 Base-Backbone interact. energy: -0.484 local terms energy: -482.569618 where: bonds (distance) C4'-P energy: -135.236 bonds (distance) P-C4' energy: -135.263 flat angles C4'-P-C4' energy: -114.158 flat angles P-C4'-P energy: -66.630 tors. eta vs tors. theta energy: -31.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -795.664963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.664963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.664963 (E_RNA) where: Base-Base interactions energy: -341.121 where: short stacking energy: -225.056 Base-Backbone interact. energy: -0.452 local terms energy: -454.092387 where: bonds (distance) C4'-P energy: -130.925 bonds (distance) P-C4' energy: -142.242 flat angles C4'-P-C4' energy: -108.834 flat angles P-C4'-P energy: -88.662 tors. eta vs tors. theta energy: 16.571 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: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2814.961950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.961950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.961950 (E_RNA) where: Base-Base interactions energy: -1909.875 where: short stacking energy: -831.347 Base-Backbone interact. energy: -1.784 local terms energy: -903.303326 where: bonds (distance) C4'-P energy: -162.203 bonds (distance) P-C4' energy: -180.588 flat angles C4'-P-C4' energy: -200.379 flat angles P-C4'-P energy: -117.153 tors. eta vs tors. theta energy: -242.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2674.250997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.250997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.250997 (E_RNA) where: Base-Base interactions energy: -1860.923 where: short stacking energy: -777.057 Base-Backbone interact. energy: -3.950 local terms energy: -809.378635 where: bonds (distance) C4'-P energy: -155.526 bonds (distance) P-C4' energy: -152.718 flat angles C4'-P-C4' energy: -174.188 flat angles P-C4'-P energy: -118.807 tors. eta vs tors. theta energy: -208.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2580.254800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.254800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.254800 (E_RNA) where: Base-Base interactions energy: -1751.905 where: short stacking energy: -743.586 Base-Backbone interact. energy: -1.843 local terms energy: -826.506545 where: bonds (distance) C4'-P energy: -158.603 bonds (distance) P-C4' energy: -155.421 flat angles C4'-P-C4' energy: -175.483 flat angles P-C4'-P energy: -115.459 tors. eta vs tors. theta energy: -221.541 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: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2432.629838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.629838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.629838 (E_RNA) where: Base-Base interactions energy: -1659.118 where: short stacking energy: -709.691 Base-Backbone interact. energy: -1.098 local terms energy: -772.413858 where: bonds (distance) C4'-P energy: -159.502 bonds (distance) P-C4' energy: -145.188 flat angles C4'-P-C4' energy: -153.090 flat angles P-C4'-P energy: -109.755 tors. eta vs tors. theta energy: -204.879 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: 242 Temperature: 1.100000 Total energy: -2389.530122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.530122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.530122 (E_RNA) where: Base-Base interactions energy: -1581.854 where: short stacking energy: -683.995 Base-Backbone interact. energy: -1.728 local terms energy: -805.948117 where: bonds (distance) C4'-P energy: -154.405 bonds (distance) P-C4' energy: -154.471 flat angles C4'-P-C4' energy: -186.343 flat angles P-C4'-P energy: -110.596 tors. eta vs tors. theta energy: -200.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1896.847700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.847700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.847700 (E_RNA) where: Base-Base interactions energy: -1258.560 where: short stacking energy: -551.304 Base-Backbone interact. energy: -2.645 local terms energy: -635.642542 where: bonds (distance) C4'-P energy: -127.966 bonds (distance) P-C4' energy: -138.308 flat angles C4'-P-C4' energy: -158.579 flat angles P-C4'-P energy: -85.077 tors. eta vs tors. theta energy: -125.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1753.144405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.144405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.144405 (E_RNA) where: Base-Base interactions energy: -1135.379 where: short stacking energy: -477.294 Base-Backbone interact. energy: 0.848 local terms energy: -618.613366 where: bonds (distance) C4'-P energy: -114.299 bonds (distance) P-C4' energy: -148.226 flat angles C4'-P-C4' energy: -162.980 flat angles P-C4'-P energy: -79.597 tors. eta vs tors. theta energy: -113.511 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: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1522.399281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.399281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.399281 (E_RNA) where: Base-Base interactions energy: -992.116 where: short stacking energy: -386.002 Base-Backbone interact. energy: -0.458 local terms energy: -529.824518 where: bonds (distance) C4'-P energy: -139.659 bonds (distance) P-C4' energy: -152.791 flat angles C4'-P-C4' energy: -114.129 flat angles P-C4'-P energy: -71.297 tors. eta vs tors. theta energy: -51.947 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: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1156.803511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.803511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.803511 (E_RNA) where: Base-Base interactions energy: -674.095 where: short stacking energy: -340.737 Base-Backbone interact. energy: -5.815 local terms energy: -476.893779 where: bonds (distance) C4'-P energy: -118.059 bonds (distance) P-C4' energy: -154.591 flat angles C4'-P-C4' energy: -116.880 flat angles P-C4'-P energy: -73.365 tors. eta vs tors. theta energy: -13.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -808.570641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.570641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.570641 (E_RNA) where: Base-Base interactions energy: -348.435 where: short stacking energy: -196.465 Base-Backbone interact. energy: 2.261 local terms energy: -462.396302 where: bonds (distance) C4'-P energy: -144.334 bonds (distance) P-C4' energy: -139.984 flat angles C4'-P-C4' energy: -121.959 flat angles P-C4'-P energy: -67.769 tors. eta vs tors. theta energy: 11.650 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: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2785.696858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.696858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.696858 (E_RNA) where: Base-Base interactions energy: -1885.253 where: short stacking energy: -840.396 Base-Backbone interact. energy: -1.599 local terms energy: -898.844603 where: bonds (distance) C4'-P energy: -157.478 bonds (distance) P-C4' energy: -177.378 flat angles C4'-P-C4' energy: -186.293 flat angles P-C4'-P energy: -132.180 tors. eta vs tors. theta energy: -245.515 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: 2, replica: 6 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2719.304007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.304007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.304007 (E_RNA) where: Base-Base interactions energy: -1831.796 where: short stacking energy: -779.531 Base-Backbone interact. energy: -2.366 local terms energy: -885.142324 where: bonds (distance) C4'-P energy: -174.408 bonds (distance) P-C4' energy: -160.229 flat angles C4'-P-C4' energy: -196.406 flat angles P-C4'-P energy: -127.848 tors. eta vs tors. theta energy: -226.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2568.016982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.016982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.016982 (E_RNA) where: Base-Base interactions energy: -1761.485 where: short stacking energy: -729.388 Base-Backbone interact. energy: -2.642 local terms energy: -803.890755 where: bonds (distance) C4'-P energy: -159.946 bonds (distance) P-C4' energy: -151.558 flat angles C4'-P-C4' energy: -182.025 flat angles P-C4'-P energy: -111.279 tors. eta vs tors. theta energy: -199.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2423.890491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.890491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.890491 (E_RNA) where: Base-Base interactions energy: -1651.583 where: short stacking energy: -698.339 Base-Backbone interact. energy: -4.378 local terms energy: -767.929695 where: bonds (distance) C4'-P energy: -146.104 bonds (distance) P-C4' energy: -162.627 flat angles C4'-P-C4' energy: -157.929 flat angles P-C4'-P energy: -94.996 tors. eta vs tors. theta energy: -206.274 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: 5, replica: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2296.594625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.594625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.594625 (E_RNA) where: Base-Base interactions energy: -1529.430 where: short stacking energy: -659.526 Base-Backbone interact. energy: -1.581 local terms energy: -765.584364 where: bonds (distance) C4'-P energy: -149.490 bonds (distance) P-C4' energy: -164.607 flat angles C4'-P-C4' energy: -162.059 flat angles P-C4'-P energy: -108.512 tors. eta vs tors. theta energy: -180.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1850.252712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.252712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.252712 (E_RNA) where: Base-Base interactions energy: -1209.012 where: short stacking energy: -543.244 Base-Backbone interact. energy: -2.697 local terms energy: -638.544170 where: bonds (distance) C4'-P energy: -128.057 bonds (distance) P-C4' energy: -149.676 flat angles C4'-P-C4' energy: -144.637 flat angles P-C4'-P energy: -92.800 tors. eta vs tors. theta energy: -123.375 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: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1851.028210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.028210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.028210 (E_RNA) where: Base-Base interactions energy: -1227.896 where: short stacking energy: -511.246 Base-Backbone interact. energy: -7.261 local terms energy: -615.870458 where: bonds (distance) C4'-P energy: -139.198 bonds (distance) P-C4' energy: -131.310 flat angles C4'-P-C4' energy: -149.716 flat angles P-C4'-P energy: -80.102 tors. eta vs tors. theta energy: -115.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1540.444202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.444202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.444202 (E_RNA) where: Base-Base interactions energy: -1023.488 where: short stacking energy: -439.901 Base-Backbone interact. energy: 6.172 local terms energy: -523.127998 where: bonds (distance) C4'-P energy: -108.805 bonds (distance) P-C4' energy: -142.295 flat angles C4'-P-C4' energy: -127.467 flat angles P-C4'-P energy: -67.948 tors. eta vs tors. theta energy: -76.614 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: 9, replica: 3 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1175.741686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.741686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.741686 (E_RNA) where: Base-Base interactions energy: -703.850 where: short stacking energy: -319.244 Base-Backbone interact. energy: -0.948 local terms energy: -470.943182 where: bonds (distance) C4'-P energy: -121.432 bonds (distance) P-C4' energy: -141.032 flat angles C4'-P-C4' energy: -119.571 flat angles P-C4'-P energy: -73.687 tors. eta vs tors. theta energy: -15.221 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: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -760.975273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.975273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.975273 (E_RNA) where: Base-Base interactions energy: -325.644 where: short stacking energy: -217.890 Base-Backbone interact. energy: 1.695 local terms energy: -437.026187 where: bonds (distance) C4'-P energy: -141.750 bonds (distance) P-C4' energy: -126.820 flat angles C4'-P-C4' energy: -127.732 flat angles P-C4'-P energy: -60.027 tors. eta vs tors. theta energy: 19.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2787.012118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.012118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.012118 (E_RNA) where: Base-Base interactions energy: -1873.683 where: short stacking energy: -843.909 Base-Backbone interact. energy: -3.522 local terms energy: -909.807292 where: bonds (distance) C4'-P energy: -179.546 bonds (distance) P-C4' energy: -172.774 flat angles C4'-P-C4' energy: -192.309 flat angles P-C4'-P energy: -120.530 tors. eta vs tors. theta energy: -244.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2678.682615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.682615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.682615 (E_RNA) where: Base-Base interactions energy: -1853.307 where: short stacking energy: -780.675 Base-Backbone interact. energy: -0.070 local terms energy: -825.306190 where: bonds (distance) C4'-P energy: -149.169 bonds (distance) P-C4' energy: -153.978 flat angles C4'-P-C4' energy: -181.165 flat angles P-C4'-P energy: -111.000 tors. eta vs tors. theta energy: -229.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2616.990159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.990159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.990159 (E_RNA) where: Base-Base interactions energy: -1812.008 where: short stacking energy: -759.475 Base-Backbone interact. energy: -6.595 local terms energy: -798.387048 where: bonds (distance) C4'-P energy: -143.967 bonds (distance) P-C4' energy: -148.035 flat angles C4'-P-C4' energy: -183.452 flat angles P-C4'-P energy: -109.000 tors. eta vs tors. theta energy: -213.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2347.378450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.378450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.378450 (E_RNA) where: Base-Base interactions energy: -1579.354 where: short stacking energy: -678.458 Base-Backbone interact. energy: -5.151 local terms energy: -762.873762 where: bonds (distance) C4'-P energy: -141.005 bonds (distance) P-C4' energy: -151.935 flat angles C4'-P-C4' energy: -161.846 flat angles P-C4'-P energy: -98.158 tors. eta vs tors. theta energy: -209.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2331.530429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.530429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.530429 (E_RNA) where: Base-Base interactions energy: -1579.854 where: short stacking energy: -682.744 Base-Backbone interact. energy: -5.733 local terms energy: -745.943548 where: bonds (distance) C4'-P energy: -156.158 bonds (distance) P-C4' energy: -136.868 flat angles C4'-P-C4' energy: -164.845 flat angles P-C4'-P energy: -91.019 tors. eta vs tors. theta energy: -197.054 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: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1923.167619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.167619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.167619 (E_RNA) where: Base-Base interactions energy: -1253.048 where: short stacking energy: -562.863 Base-Backbone interact. energy: -0.374 local terms energy: -669.745895 where: bonds (distance) C4'-P energy: -140.985 bonds (distance) P-C4' energy: -155.377 flat angles C4'-P-C4' energy: -142.572 flat angles P-C4'-P energy: -101.540 tors. eta vs tors. theta energy: -129.272 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: 8 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1821.675213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.675213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.675213 (E_RNA) where: Base-Base interactions energy: -1189.470 where: short stacking energy: -495.973 Base-Backbone interact. energy: 6.478 local terms energy: -638.683105 where: bonds (distance) C4'-P energy: -149.714 bonds (distance) P-C4' energy: -134.967 flat angles C4'-P-C4' energy: -143.573 flat angles P-C4'-P energy: -106.649 tors. eta vs tors. theta energy: -103.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1510.084260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.084260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.084260 (E_RNA) where: Base-Base interactions energy: -965.070 where: short stacking energy: -434.842 Base-Backbone interact. energy: 2.827 local terms energy: -547.841535 where: bonds (distance) C4'-P energy: -113.866 bonds (distance) P-C4' energy: -143.894 flat angles C4'-P-C4' energy: -123.755 flat angles P-C4'-P energy: -88.107 tors. eta vs tors. theta energy: -78.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1191.851529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.851529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.851529 (E_RNA) where: Base-Base interactions energy: -675.269 where: short stacking energy: -355.251 Base-Backbone interact. energy: -2.969 local terms energy: -513.614194 where: bonds (distance) C4'-P energy: -120.687 bonds (distance) P-C4' energy: -151.989 flat angles C4'-P-C4' energy: -125.239 flat angles P-C4'-P energy: -68.206 tors. eta vs tors. theta energy: -47.493 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: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -764.910202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.910202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.910202 (E_RNA) where: Base-Base interactions energy: -337.498 where: short stacking energy: -194.467 Base-Backbone interact. energy: 7.771 local terms energy: -435.182702 where: bonds (distance) C4'-P energy: -142.545 bonds (distance) P-C4' energy: -125.461 flat angles C4'-P-C4' energy: -116.776 flat angles P-C4'-P energy: -69.030 tors. eta vs tors. theta energy: 18.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2746.018943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.018943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.018943 (E_RNA) where: Base-Base interactions energy: -1867.639 where: short stacking energy: -840.252 Base-Backbone interact. energy: -4.110 local terms energy: -874.269412 where: bonds (distance) C4'-P energy: -152.313 bonds (distance) P-C4' energy: -175.133 flat angles C4'-P-C4' energy: -178.222 flat angles P-C4'-P energy: -131.348 tors. eta vs tors. theta energy: -237.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2710.958281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.958281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.958281 (E_RNA) where: Base-Base interactions energy: -1833.211 where: short stacking energy: -760.176 Base-Backbone interact. energy: -3.241 local terms energy: -874.506148 where: bonds (distance) C4'-P energy: -166.202 bonds (distance) P-C4' energy: -165.284 flat angles C4'-P-C4' energy: -193.535 flat angles P-C4'-P energy: -131.548 tors. eta vs tors. theta energy: -217.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2597.852378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.852378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.852378 (E_RNA) where: Base-Base interactions energy: -1803.267 where: short stacking energy: -756.051 Base-Backbone interact. energy: -1.529 local terms energy: -793.056637 where: bonds (distance) C4'-P energy: -145.138 bonds (distance) P-C4' energy: -149.554 flat angles C4'-P-C4' energy: -176.060 flat angles P-C4'-P energy: -106.799 tors. eta vs tors. theta energy: -215.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2391.400875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.400875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.400875 (E_RNA) where: Base-Base interactions energy: -1628.823 where: short stacking energy: -710.205 Base-Backbone interact. energy: -2.478 local terms energy: -760.099627 where: bonds (distance) C4'-P energy: -125.893 bonds (distance) P-C4' energy: -138.252 flat angles C4'-P-C4' energy: -181.335 flat angles P-C4'-P energy: -115.260 tors. eta vs tors. theta energy: -199.361 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: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2286.461695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.461695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.461695 (E_RNA) where: Base-Base interactions energy: -1565.758 where: short stacking energy: -652.963 Base-Backbone interact. energy: -1.872 local terms energy: -718.831532 where: bonds (distance) C4'-P energy: -143.714 bonds (distance) P-C4' energy: -142.724 flat angles C4'-P-C4' energy: -156.944 flat angles P-C4'-P energy: -95.653 tors. eta vs tors. theta energy: -179.796 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: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1944.545929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.545929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.545929 (E_RNA) where: Base-Base interactions energy: -1244.791 where: short stacking energy: -566.470 Base-Backbone interact. energy: 0.090 local terms energy: -699.845506 where: bonds (distance) C4'-P energy: -157.058 bonds (distance) P-C4' energy: -153.030 flat angles C4'-P-C4' energy: -141.802 flat angles P-C4'-P energy: -109.750 tors. eta vs tors. theta energy: -138.206 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: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1778.933641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.933641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.933641 (E_RNA) where: Base-Base interactions energy: -1184.210 where: short stacking energy: -502.927 Base-Backbone interact. energy: 7.846 local terms energy: -602.568961 where: bonds (distance) C4'-P energy: -145.250 bonds (distance) P-C4' energy: -134.328 flat angles C4'-P-C4' energy: -136.686 flat angles P-C4'-P energy: -82.511 tors. eta vs tors. theta energy: -103.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1462.636348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.636348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.636348 (E_RNA) where: Base-Base interactions energy: -949.655 where: short stacking energy: -402.974 Base-Backbone interact. energy: -2.049 local terms energy: -510.932287 where: bonds (distance) C4'-P energy: -131.992 bonds (distance) P-C4' energy: -125.459 flat angles C4'-P-C4' energy: -120.341 flat angles P-C4'-P energy: -86.727 tors. eta vs tors. theta energy: -46.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1127.576596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.576596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.576596 (E_RNA) where: Base-Base interactions energy: -624.926 where: short stacking energy: -291.208 Base-Backbone interact. energy: 3.716 local terms energy: -506.366952 where: bonds (distance) C4'-P energy: -136.886 bonds (distance) P-C4' energy: -122.417 flat angles C4'-P-C4' energy: -127.947 flat angles P-C4'-P energy: -82.250 tors. eta vs tors. theta energy: -36.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -783.233853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.233853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.233853 (E_RNA) where: Base-Base interactions energy: -332.183 where: short stacking energy: -210.291 Base-Backbone interact. energy: 3.037 local terms energy: -454.088021 where: bonds (distance) C4'-P energy: -133.281 bonds (distance) P-C4' energy: -137.175 flat angles C4'-P-C4' energy: -126.730 flat angles P-C4'-P energy: -67.203 tors. eta vs tors. theta energy: 10.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2796.093645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.093645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.093645 (E_RNA) where: Base-Base interactions energy: -1920.054 where: short stacking energy: -854.005 Base-Backbone interact. energy: -1.148 local terms energy: -874.891123 where: bonds (distance) C4'-P energy: -141.297 bonds (distance) P-C4' energy: -175.171 flat angles C4'-P-C4' energy: -175.093 flat angles P-C4'-P energy: -124.465 tors. eta vs tors. theta energy: -258.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2709.989250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.989250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.989250 (E_RNA) where: Base-Base interactions energy: -1863.716 where: short stacking energy: -797.465 Base-Backbone interact. energy: -4.469 local terms energy: -841.803815 where: bonds (distance) C4'-P energy: -166.474 bonds (distance) P-C4' energy: -141.204 flat angles C4'-P-C4' energy: -186.315 flat angles P-C4'-P energy: -117.195 tors. eta vs tors. theta energy: -230.617 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: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2548.745762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.745762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.745762 (E_RNA) where: Base-Base interactions energy: -1748.549 where: short stacking energy: -708.326 Base-Backbone interact. energy: -6.012 local terms energy: -794.185114 where: bonds (distance) C4'-P energy: -152.995 bonds (distance) P-C4' energy: -140.270 flat angles C4'-P-C4' energy: -187.440 flat angles P-C4'-P energy: -102.731 tors. eta vs tors. theta energy: -210.750 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: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2431.414313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.414313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.414313 (E_RNA) where: Base-Base interactions energy: -1645.229 where: short stacking energy: -687.314 Base-Backbone interact. energy: 1.075 local terms energy: -787.260239 where: bonds (distance) C4'-P energy: -165.453 bonds (distance) P-C4' energy: -160.113 flat angles C4'-P-C4' energy: -159.162 flat angles P-C4'-P energy: -105.052 tors. eta vs tors. theta energy: -197.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2227.382941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.382941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.382941 (E_RNA) where: Base-Base interactions energy: -1484.675 where: short stacking energy: -632.397 Base-Backbone interact. energy: -3.224 local terms energy: -739.483466 where: bonds (distance) C4'-P energy: -149.181 bonds (distance) P-C4' energy: -168.700 flat angles C4'-P-C4' energy: -146.423 flat angles P-C4'-P energy: -107.562 tors. eta vs tors. theta energy: -167.618 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: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2029.465776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.465776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.465776 (E_RNA) where: Base-Base interactions energy: -1342.750 where: short stacking energy: -571.367 Base-Backbone interact. energy: -2.694 local terms energy: -684.021798 where: bonds (distance) C4'-P energy: -132.355 bonds (distance) P-C4' energy: -145.188 flat angles C4'-P-C4' energy: -156.069 flat angles P-C4'-P energy: -99.866 tors. eta vs tors. theta energy: -150.543 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: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1860.598063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.598063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.598063 (E_RNA) where: Base-Base interactions energy: -1239.901 where: short stacking energy: -510.134 Base-Backbone interact. energy: 2.333 local terms energy: -623.030145 where: bonds (distance) C4'-P energy: -136.978 bonds (distance) P-C4' energy: -138.454 flat angles C4'-P-C4' energy: -141.002 flat angles P-C4'-P energy: -99.745 tors. eta vs tors. theta energy: -106.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1453.849569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.849569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.849569 (E_RNA) where: Base-Base interactions energy: -917.388 where: short stacking energy: -383.769 Base-Backbone interact. energy: 3.926 local terms energy: -540.388061 where: bonds (distance) C4'-P energy: -139.401 bonds (distance) P-C4' energy: -144.328 flat angles C4'-P-C4' energy: -136.386 flat angles P-C4'-P energy: -94.331 tors. eta vs tors. theta energy: -25.942 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: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1138.243372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.243372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.243372 (E_RNA) where: Base-Base interactions energy: -654.721 where: short stacking energy: -341.668 Base-Backbone interact. energy: 0.177 local terms energy: -483.699609 where: bonds (distance) C4'-P energy: -131.676 bonds (distance) P-C4' energy: -127.311 flat angles C4'-P-C4' energy: -133.729 flat angles P-C4'-P energy: -75.197 tors. eta vs tors. theta energy: -15.786 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: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -775.692216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.692216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.692216 (E_RNA) where: Base-Base interactions energy: -344.637 where: short stacking energy: -209.975 Base-Backbone interact. energy: 0.020 local terms energy: -431.074836 where: bonds (distance) C4'-P energy: -122.487 bonds (distance) P-C4' energy: -126.915 flat angles C4'-P-C4' energy: -131.127 flat angles P-C4'-P energy: -61.288 tors. eta vs tors. theta energy: 10.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2768.426578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.426578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.426578 (E_RNA) where: Base-Base interactions energy: -1850.801 where: short stacking energy: -823.575 Base-Backbone interact. energy: 1.306 local terms energy: -918.932047 where: bonds (distance) C4'-P energy: -159.741 bonds (distance) P-C4' energy: -179.163 flat angles C4'-P-C4' energy: -193.012 flat angles P-C4'-P energy: -137.617 tors. eta vs tors. theta energy: -249.399 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: 2, replica: 6 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2719.866434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.866434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.866434 (E_RNA) where: Base-Base interactions energy: -1883.975 where: short stacking energy: -776.306 Base-Backbone interact. energy: -1.274 local terms energy: -834.618034 where: bonds (distance) C4'-P energy: -151.122 bonds (distance) P-C4' energy: -159.441 flat angles C4'-P-C4' energy: -186.125 flat angles P-C4'-P energy: -116.319 tors. eta vs tors. theta energy: -221.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2601.093868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.093868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.093868 (E_RNA) where: Base-Base interactions energy: -1770.378 where: short stacking energy: -777.311 Base-Backbone interact. energy: -6.009 local terms energy: -824.707364 where: bonds (distance) C4'-P energy: -149.137 bonds (distance) P-C4' energy: -151.011 flat angles C4'-P-C4' energy: -168.207 flat angles P-C4'-P energy: -123.813 tors. eta vs tors. theta energy: -232.540 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: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2424.872157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.872157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.872157 (E_RNA) where: Base-Base interactions energy: -1642.564 where: short stacking energy: -716.101 Base-Backbone interact. energy: -1.934 local terms energy: -780.374404 where: bonds (distance) C4'-P energy: -141.648 bonds (distance) P-C4' energy: -153.216 flat angles C4'-P-C4' energy: -175.903 flat angles P-C4'-P energy: -114.288 tors. eta vs tors. theta energy: -195.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2287.520873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.520873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.520873 (E_RNA) where: Base-Base interactions energy: -1497.398 where: short stacking energy: -625.684 Base-Backbone interact. energy: -5.380 local terms energy: -784.742952 where: bonds (distance) C4'-P energy: -148.450 bonds (distance) P-C4' energy: -167.529 flat angles C4'-P-C4' energy: -167.474 flat angles P-C4'-P energy: -115.504 tors. eta vs tors. theta energy: -185.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2001.775230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.775230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.775230 (E_RNA) where: Base-Base interactions energy: -1325.472 where: short stacking energy: -583.694 Base-Backbone interact. energy: -2.360 local terms energy: -673.942906 where: bonds (distance) C4'-P energy: -138.614 bonds (distance) P-C4' energy: -152.918 flat angles C4'-P-C4' energy: -148.254 flat angles P-C4'-P energy: -90.394 tors. eta vs tors. theta energy: -143.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1885.756278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.756278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.756278 (E_RNA) where: Base-Base interactions energy: -1237.347 where: short stacking energy: -542.638 Base-Backbone interact. energy: 0.891 local terms energy: -649.300028 where: bonds (distance) C4'-P energy: -136.016 bonds (distance) P-C4' energy: -147.748 flat angles C4'-P-C4' energy: -154.578 flat angles P-C4'-P energy: -87.364 tors. eta vs tors. theta energy: -123.593 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: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1556.472244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.472244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.472244 (E_RNA) where: Base-Base interactions energy: -986.825 where: short stacking energy: -456.407 Base-Backbone interact. energy: -1.066 local terms energy: -568.581441 where: bonds (distance) C4'-P energy: -135.472 bonds (distance) P-C4' energy: -136.618 flat angles C4'-P-C4' energy: -143.148 flat angles P-C4'-P energy: -70.687 tors. eta vs tors. theta energy: -82.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1086.015754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.015754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.015754 (E_RNA) where: Base-Base interactions energy: -579.282 where: short stacking energy: -314.506 Base-Backbone interact. energy: -0.266 local terms energy: -506.467602 where: bonds (distance) C4'-P energy: -122.981 bonds (distance) P-C4' energy: -155.815 flat angles C4'-P-C4' energy: -114.633 flat angles P-C4'-P energy: -79.959 tors. eta vs tors. theta energy: -33.079 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: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -816.214488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.214488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.214488 (E_RNA) where: Base-Base interactions energy: -393.110 where: short stacking energy: -228.613 Base-Backbone interact. energy: -0.023 local terms energy: -423.081559 where: bonds (distance) C4'-P energy: -132.098 bonds (distance) P-C4' energy: -120.653 flat angles C4'-P-C4' energy: -122.293 flat angles P-C4'-P energy: -57.078 tors. eta vs tors. theta energy: 9.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2799.612327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.612327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.612327 (E_RNA) where: Base-Base interactions energy: -1911.718 where: short stacking energy: -829.121 Base-Backbone interact. energy: -4.211 local terms energy: -883.682369 where: bonds (distance) C4'-P energy: -166.850 bonds (distance) P-C4' energy: -154.477 flat angles C4'-P-C4' energy: -194.083 flat angles P-C4'-P energy: -121.894 tors. eta vs tors. theta energy: -246.378 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: 248 Temperature: 0.950000 Total energy: -2713.945640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.945640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.945640 (E_RNA) where: Base-Base interactions energy: -1881.002 where: short stacking energy: -797.008 Base-Backbone interact. energy: 0.636 local terms energy: -833.579913 where: bonds (distance) C4'-P energy: -152.397 bonds (distance) P-C4' energy: -158.997 flat angles C4'-P-C4' energy: -167.293 flat angles P-C4'-P energy: -131.234 tors. eta vs tors. theta energy: -223.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2622.630341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.630341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.630341 (E_RNA) where: Base-Base interactions energy: -1802.216 where: short stacking energy: -761.085 Base-Backbone interact. energy: -3.574 local terms energy: -816.840085 where: bonds (distance) C4'-P energy: -153.673 bonds (distance) P-C4' energy: -158.912 flat angles C4'-P-C4' energy: -176.463 flat angles P-C4'-P energy: -116.091 tors. eta vs tors. theta energy: -211.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2438.430226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.430226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.430226 (E_RNA) where: Base-Base interactions energy: -1647.107 where: short stacking energy: -696.566 Base-Backbone interact. energy: -3.257 local terms energy: -788.065640 where: bonds (distance) C4'-P energy: -158.519 bonds (distance) P-C4' energy: -155.215 flat angles C4'-P-C4' energy: -167.587 flat angles P-C4'-P energy: -113.541 tors. eta vs tors. theta energy: -193.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2263.873630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.873630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.873630 (E_RNA) where: Base-Base interactions energy: -1537.559 where: short stacking energy: -649.319 Base-Backbone interact. energy: -2.143 local terms energy: -724.171963 where: bonds (distance) C4'-P energy: -126.785 bonds (distance) P-C4' energy: -146.492 flat angles C4'-P-C4' energy: -170.662 flat angles P-C4'-P energy: -98.732 tors. eta vs tors. theta energy: -181.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2067.332650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.332650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.332650 (E_RNA) where: Base-Base interactions energy: -1346.710 where: short stacking energy: -589.831 Base-Backbone interact. energy: -1.947 local terms energy: -718.674839 where: bonds (distance) C4'-P energy: -146.884 bonds (distance) P-C4' energy: -153.799 flat angles C4'-P-C4' energy: -139.609 flat angles P-C4'-P energy: -107.895 tors. eta vs tors. theta energy: -170.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1922.787397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.787397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.787397 (E_RNA) where: Base-Base interactions energy: -1274.480 where: short stacking energy: -556.770 Base-Backbone interact. energy: 2.437 local terms energy: -650.744968 where: bonds (distance) C4'-P energy: -131.033 bonds (distance) P-C4' energy: -139.059 flat angles C4'-P-C4' energy: -147.200 flat angles P-C4'-P energy: -77.823 tors. eta vs tors. theta energy: -155.630 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: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1546.095865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.095865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.095865 (E_RNA) where: Base-Base interactions energy: -979.039 where: short stacking energy: -415.904 Base-Backbone interact. energy: 0.045 local terms energy: -567.101799 where: bonds (distance) C4'-P energy: -132.681 bonds (distance) P-C4' energy: -137.836 flat angles C4'-P-C4' energy: -139.565 flat angles P-C4'-P energy: -78.384 tors. eta vs tors. theta energy: -78.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1064.249471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.249471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.249471 (E_RNA) where: Base-Base interactions energy: -575.737 where: short stacking energy: -291.682 Base-Backbone interact. energy: -1.151 local terms energy: -487.362232 where: bonds (distance) C4'-P energy: -143.224 bonds (distance) P-C4' energy: -142.073 flat angles C4'-P-C4' energy: -121.767 flat angles P-C4'-P energy: -64.088 tors. eta vs tors. theta energy: -16.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -799.317856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.317856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.317856 (E_RNA) where: Base-Base interactions energy: -376.850 where: short stacking energy: -225.116 Base-Backbone interact. energy: -1.039 local terms energy: -421.428873 where: bonds (distance) C4'-P energy: -127.096 bonds (distance) P-C4' energy: -113.834 flat angles C4'-P-C4' energy: -116.019 flat angles P-C4'-P energy: -90.160 tors. eta vs tors. theta energy: 25.680 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: 9 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2817.255931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.255931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.255931 (E_RNA) where: Base-Base interactions energy: -1907.476 where: short stacking energy: -850.287 Base-Backbone interact. energy: -5.860 local terms energy: -903.919556 where: bonds (distance) C4'-P energy: -151.466 bonds (distance) P-C4' energy: -173.712 flat angles C4'-P-C4' energy: -187.080 flat angles P-C4'-P energy: -132.418 tors. eta vs tors. theta energy: -259.243 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: 249 Temperature: 0.950000 Total energy: -2708.893414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.893414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.893414 (E_RNA) where: Base-Base interactions energy: -1869.417 where: short stacking energy: -761.326 Base-Backbone interact. energy: -4.666 local terms energy: -834.810299 where: bonds (distance) C4'-P energy: -146.681 bonds (distance) P-C4' energy: -163.532 flat angles C4'-P-C4' energy: -182.020 flat angles P-C4'-P energy: -117.711 tors. eta vs tors. theta energy: -224.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2552.951304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.951304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.951304 (E_RNA) where: Base-Base interactions energy: -1727.463 where: short stacking energy: -727.771 Base-Backbone interact. energy: -0.934 local terms energy: -824.554411 where: bonds (distance) C4'-P energy: -158.606 bonds (distance) P-C4' energy: -152.179 flat angles C4'-P-C4' energy: -178.509 flat angles P-C4'-P energy: -119.318 tors. eta vs tors. theta energy: -215.943 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: 249 Temperature: 1.050000 Total energy: -2457.228360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.228360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.228360 (E_RNA) where: Base-Base interactions energy: -1652.585 where: short stacking energy: -741.967 Base-Backbone interact. energy: -2.202 local terms energy: -802.442154 where: bonds (distance) C4'-P energy: -148.431 bonds (distance) P-C4' energy: -141.993 flat angles C4'-P-C4' energy: -172.108 flat angles P-C4'-P energy: -125.422 tors. eta vs tors. theta energy: -214.487 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: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2257.190024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.190024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.190024 (E_RNA) where: Base-Base interactions energy: -1528.083 where: short stacking energy: -624.358 Base-Backbone interact. energy: -1.001 local terms energy: -728.105706 where: bonds (distance) C4'-P energy: -136.774 bonds (distance) P-C4' energy: -153.778 flat angles C4'-P-C4' energy: -152.110 flat angles P-C4'-P energy: -101.376 tors. eta vs tors. theta energy: -184.068 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: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2061.689388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.689388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.689388 (E_RNA) where: Base-Base interactions energy: -1358.360 where: short stacking energy: -588.409 Base-Backbone interact. energy: -3.077 local terms energy: -700.252690 where: bonds (distance) C4'-P energy: -141.601 bonds (distance) P-C4' energy: -136.978 flat angles C4'-P-C4' energy: -157.481 flat angles P-C4'-P energy: -107.750 tors. eta vs tors. theta energy: -156.444 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: 7, replica: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1820.385585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.385585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.385585 (E_RNA) where: Base-Base interactions energy: -1222.206 where: short stacking energy: -521.069 Base-Backbone interact. energy: 4.010 local terms energy: -602.190128 where: bonds (distance) C4'-P energy: -139.187 bonds (distance) P-C4' energy: -140.366 flat angles C4'-P-C4' energy: -140.152 flat angles P-C4'-P energy: -65.291 tors. eta vs tors. theta energy: -117.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1510.120859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.120859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.120859 (E_RNA) where: Base-Base interactions energy: -947.478 where: short stacking energy: -410.772 Base-Backbone interact. energy: 4.204 local terms energy: -566.846937 where: bonds (distance) C4'-P energy: -135.724 bonds (distance) P-C4' energy: -139.581 flat angles C4'-P-C4' energy: -138.175 flat angles P-C4'-P energy: -85.526 tors. eta vs tors. theta energy: -67.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1081.585087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.585087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.585087 (E_RNA) where: Base-Base interactions energy: -601.877 where: short stacking energy: -273.983 Base-Backbone interact. energy: 1.887 local terms energy: -481.594621 where: bonds (distance) C4'-P energy: -103.881 bonds (distance) P-C4' energy: -158.672 flat angles C4'-P-C4' energy: -139.696 flat angles P-C4'-P energy: -69.599 tors. eta vs tors. theta energy: -9.747 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: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -772.802767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.802767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.802767 (E_RNA) where: Base-Base interactions energy: -364.217 where: short stacking energy: -223.920 Base-Backbone interact. energy: 2.440 local terms energy: -411.025712 where: bonds (distance) C4'-P energy: -118.781 bonds (distance) P-C4' energy: -125.122 flat angles C4'-P-C4' energy: -124.925 flat angles P-C4'-P energy: -60.510 tors. eta vs tors. theta energy: 18.313 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: 9 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2803.406138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.406138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.406138 (E_RNA) where: Base-Base interactions energy: -1884.896 where: short stacking energy: -826.527 Base-Backbone interact. energy: 0.328 local terms energy: -918.837546 where: bonds (distance) C4'-P energy: -176.688 bonds (distance) P-C4' energy: -167.873 flat angles C4'-P-C4' energy: -196.325 flat angles P-C4'-P energy: -120.302 tors. eta vs tors. theta energy: -257.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2718.701371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.701371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.701371 (E_RNA) where: Base-Base interactions energy: -1889.906 where: short stacking energy: -804.570 Base-Backbone interact. energy: -1.560 local terms energy: -827.234842 where: bonds (distance) C4'-P energy: -143.721 bonds (distance) P-C4' energy: -146.443 flat angles C4'-P-C4' energy: -180.861 flat angles P-C4'-P energy: -127.994 tors. eta vs tors. theta energy: -228.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2549.800462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.800462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.800462 (E_RNA) where: Base-Base interactions energy: -1708.903 where: short stacking energy: -712.792 Base-Backbone interact. energy: -4.676 local terms energy: -836.221543 where: bonds (distance) C4'-P energy: -158.835 bonds (distance) P-C4' energy: -166.260 flat angles C4'-P-C4' energy: -173.065 flat angles P-C4'-P energy: -124.272 tors. eta vs tors. theta energy: -213.788 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: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2491.497267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.497267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.497267 (E_RNA) where: Base-Base interactions energy: -1690.775 where: short stacking energy: -744.135 Base-Backbone interact. energy: -3.309 local terms energy: -797.412949 where: bonds (distance) C4'-P energy: -136.208 bonds (distance) P-C4' energy: -157.260 flat angles C4'-P-C4' energy: -164.372 flat angles P-C4'-P energy: -132.133 tors. eta vs tors. theta energy: -207.440 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: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2346.656603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.656603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.656603 (E_RNA) where: Base-Base interactions energy: -1599.305 where: short stacking energy: -688.225 Base-Backbone interact. energy: -0.440 local terms energy: -746.912221 where: bonds (distance) C4'-P energy: -123.730 bonds (distance) P-C4' energy: -163.175 flat angles C4'-P-C4' energy: -168.043 flat angles P-C4'-P energy: -102.756 tors. eta vs tors. theta energy: -189.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2041.380229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.380229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.380229 (E_RNA) where: Base-Base interactions energy: -1362.252 where: short stacking energy: -612.347 Base-Backbone interact. energy: -3.985 local terms energy: -675.143140 where: bonds (distance) C4'-P energy: -139.315 bonds (distance) P-C4' energy: -129.988 flat angles C4'-P-C4' energy: -150.245 flat angles P-C4'-P energy: -100.005 tors. eta vs tors. theta energy: -155.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1814.167499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.167499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.167499 (E_RNA) where: Base-Base interactions energy: -1180.366 where: short stacking energy: -528.915 Base-Backbone interact. energy: 1.518 local terms energy: -635.319362 where: bonds (distance) C4'-P energy: -137.248 bonds (distance) P-C4' energy: -129.045 flat angles C4'-P-C4' energy: -159.024 flat angles P-C4'-P energy: -89.221 tors. eta vs tors. theta energy: -120.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1569.021449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.021449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.021449 (E_RNA) where: Base-Base interactions energy: -985.178 where: short stacking energy: -430.625 Base-Backbone interact. energy: -2.546 local terms energy: -581.298109 where: bonds (distance) C4'-P energy: -134.901 bonds (distance) P-C4' energy: -114.256 flat angles C4'-P-C4' energy: -150.396 flat angles P-C4'-P energy: -90.662 tors. eta vs tors. theta energy: -91.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1089.250868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.250868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.250868 (E_RNA) where: Base-Base interactions energy: -560.105 where: short stacking energy: -280.629 Base-Backbone interact. energy: -2.790 local terms energy: -526.355585 where: bonds (distance) C4'-P energy: -133.946 bonds (distance) P-C4' energy: -157.282 flat angles C4'-P-C4' energy: -114.517 flat angles P-C4'-P energy: -94.535 tors. eta vs tors. theta energy: -26.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -847.472720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.472720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.472720 (E_RNA) where: Base-Base interactions energy: -422.775 where: short stacking energy: -234.557 Base-Backbone interact. energy: 3.617 local terms energy: -428.315238 where: bonds (distance) C4'-P energy: -132.758 bonds (distance) P-C4' energy: -136.470 flat angles C4'-P-C4' energy: -113.659 flat angles P-C4'-P energy: -49.990 tors. eta vs tors. theta energy: 4.563 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: 1, replica: 9 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2775.232838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.232838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.232838 (E_RNA) where: Base-Base interactions energy: -1862.014 where: short stacking energy: -814.905 Base-Backbone interact. energy: -2.207 local terms energy: -911.011273 where: bonds (distance) C4'-P energy: -171.606 bonds (distance) P-C4' energy: -180.283 flat angles C4'-P-C4' energy: -191.576 flat angles P-C4'-P energy: -118.857 tors. eta vs tors. theta energy: -248.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2750.463604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.463604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.463604 (E_RNA) where: Base-Base interactions energy: -1871.869 where: short stacking energy: -810.733 Base-Backbone interact. energy: -4.995 local terms energy: -873.599965 where: bonds (distance) C4'-P energy: -169.762 bonds (distance) P-C4' energy: -150.966 flat angles C4'-P-C4' energy: -190.661 flat angles P-C4'-P energy: -120.856 tors. eta vs tors. theta energy: -241.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2597.848100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.848100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.848100 (E_RNA) where: Base-Base interactions energy: -1785.682 where: short stacking energy: -790.076 Base-Backbone interact. energy: -3.836 local terms energy: -808.329741 where: bonds (distance) C4'-P energy: -146.342 bonds (distance) P-C4' energy: -134.321 flat angles C4'-P-C4' energy: -183.811 flat angles P-C4'-P energy: -125.936 tors. eta vs tors. theta energy: -217.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2528.373843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.373843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.373843 (E_RNA) where: Base-Base interactions energy: -1712.121 where: short stacking energy: -725.881 Base-Backbone interact. energy: -5.850 local terms energy: -810.402826 where: bonds (distance) C4'-P energy: -150.693 bonds (distance) P-C4' energy: -166.860 flat angles C4'-P-C4' energy: -179.754 flat angles P-C4'-P energy: -99.859 tors. eta vs tors. theta energy: -213.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2238.438136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.438136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.438136 (E_RNA) where: Base-Base interactions energy: -1490.569 where: short stacking energy: -620.735 Base-Backbone interact. energy: 2.050 local terms energy: -749.918687 where: bonds (distance) C4'-P energy: -139.052 bonds (distance) P-C4' energy: -153.058 flat angles C4'-P-C4' energy: -166.341 flat angles P-C4'-P energy: -111.899 tors. eta vs tors. theta energy: -179.568 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: 6, replica: 5 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1997.932737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.932737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.932737 (E_RNA) where: Base-Base interactions energy: -1310.464 where: short stacking energy: -574.734 Base-Backbone interact. energy: -2.866 local terms energy: -684.602939 where: bonds (distance) C4'-P energy: -155.358 bonds (distance) P-C4' energy: -132.798 flat angles C4'-P-C4' energy: -135.324 flat angles P-C4'-P energy: -101.283 tors. eta vs tors. theta energy: -159.840 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: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1792.934802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.934802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.934802 (E_RNA) where: Base-Base interactions energy: -1180.020 where: short stacking energy: -490.523 Base-Backbone interact. energy: 1.905 local terms energy: -614.820094 where: bonds (distance) C4'-P energy: -127.065 bonds (distance) P-C4' energy: -150.599 flat angles C4'-P-C4' energy: -135.666 flat angles P-C4'-P energy: -100.943 tors. eta vs tors. theta energy: -100.546 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: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1565.110705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.110705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.110705 (E_RNA) where: Base-Base interactions energy: -1011.345 where: short stacking energy: -469.089 Base-Backbone interact. energy: -3.763 local terms energy: -550.002357 where: bonds (distance) C4'-P energy: -136.353 bonds (distance) P-C4' energy: -126.492 flat angles C4'-P-C4' energy: -130.347 flat angles P-C4'-P energy: -70.451 tors. eta vs tors. theta energy: -86.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1171.846387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.846387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.846387 (E_RNA) where: Base-Base interactions energy: -687.896 where: short stacking energy: -349.639 Base-Backbone interact. energy: -1.753 local terms energy: -482.197455 where: bonds (distance) C4'-P energy: -129.685 bonds (distance) P-C4' energy: -106.292 flat angles C4'-P-C4' energy: -143.514 flat angles P-C4'-P energy: -76.344 tors. eta vs tors. theta energy: -26.362 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: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -814.298927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.298927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.298927 (E_RNA) where: Base-Base interactions energy: -390.268 where: short stacking energy: -230.488 Base-Backbone interact. energy: 2.352 local terms energy: -426.382633 where: bonds (distance) C4'-P energy: -149.819 bonds (distance) P-C4' energy: -119.627 flat angles C4'-P-C4' energy: -99.048 flat angles P-C4'-P energy: -58.159 tors. eta vs tors. theta energy: 0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2832.285053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.285053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.285053 (E_RNA) where: Base-Base interactions energy: -1943.019 where: short stacking energy: -822.835 Base-Backbone interact. energy: -7.078 local terms energy: -882.187654 where: bonds (distance) C4'-P energy: -157.087 bonds (distance) P-C4' energy: -175.778 flat angles C4'-P-C4' energy: -192.045 flat angles P-C4'-P energy: -102.742 tors. eta vs tors. theta energy: -254.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2727.838020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.838020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.838020 (E_RNA) where: Base-Base interactions energy: -1850.072 where: short stacking energy: -805.940 Base-Backbone interact. energy: -0.209 local terms energy: -877.557339 where: bonds (distance) C4'-P energy: -153.477 bonds (distance) P-C4' energy: -184.185 flat angles C4'-P-C4' energy: -175.874 flat angles P-C4'-P energy: -118.669 tors. eta vs tors. theta energy: -245.352 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: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2578.802912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.802912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.802912 (E_RNA) where: Base-Base interactions energy: -1751.809 where: short stacking energy: -788.316 Base-Backbone interact. energy: -1.101 local terms energy: -825.893081 where: bonds (distance) C4'-P energy: -151.538 bonds (distance) P-C4' energy: -167.151 flat angles C4'-P-C4' energy: -180.003 flat angles P-C4'-P energy: -118.398 tors. eta vs tors. theta energy: -208.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2484.989856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.989856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.989856 (E_RNA) where: Base-Base interactions energy: -1654.633 where: short stacking energy: -725.187 Base-Backbone interact. energy: -5.193 local terms energy: -825.164736 where: bonds (distance) C4'-P energy: -159.402 bonds (distance) P-C4' energy: -161.343 flat angles C4'-P-C4' energy: -180.240 flat angles P-C4'-P energy: -119.985 tors. eta vs tors. theta energy: -204.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2242.167765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.167765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.167765 (E_RNA) where: Base-Base interactions energy: -1538.019 where: short stacking energy: -651.912 Base-Backbone interact. energy: -2.718 local terms energy: -701.430449 where: bonds (distance) C4'-P energy: -134.959 bonds (distance) P-C4' energy: -157.371 flat angles C4'-P-C4' energy: -136.700 flat angles P-C4'-P energy: -90.202 tors. eta vs tors. theta energy: -182.198 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: 6, replica: 5 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2036.484329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.484329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.484329 (E_RNA) where: Base-Base interactions energy: -1350.377 where: short stacking energy: -584.099 Base-Backbone interact. energy: 3.815 local terms energy: -689.922158 where: bonds (distance) C4'-P energy: -130.088 bonds (distance) P-C4' energy: -138.731 flat angles C4'-P-C4' energy: -163.736 flat angles P-C4'-P energy: -104.244 tors. eta vs tors. theta energy: -153.122 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: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1840.638540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.638540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.638540 (E_RNA) where: Base-Base interactions energy: -1238.109 where: short stacking energy: -532.369 Base-Backbone interact. energy: 5.132 local terms energy: -607.661905 where: bonds (distance) C4'-P energy: -131.007 bonds (distance) P-C4' energy: -141.966 flat angles C4'-P-C4' energy: -138.062 flat angles P-C4'-P energy: -85.675 tors. eta vs tors. theta energy: -110.951 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: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1548.248098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.248098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.248098 (E_RNA) where: Base-Base interactions energy: -944.780 where: short stacking energy: -420.016 Base-Backbone interact. energy: -2.634 local terms energy: -600.834398 where: bonds (distance) C4'-P energy: -135.006 bonds (distance) P-C4' energy: -109.694 flat angles C4'-P-C4' energy: -154.215 flat angles P-C4'-P energy: -103.705 tors. eta vs tors. theta energy: -98.214 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: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1142.817294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.817294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.817294 (E_RNA) where: Base-Base interactions energy: -675.945 where: short stacking energy: -308.940 Base-Backbone interact. energy: -3.671 local terms energy: -463.201503 where: bonds (distance) C4'-P energy: -126.889 bonds (distance) P-C4' energy: -129.875 flat angles C4'-P-C4' energy: -103.590 flat angles P-C4'-P energy: -72.146 tors. eta vs tors. theta energy: -30.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -758.494311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.494311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.494311 (E_RNA) where: Base-Base interactions energy: -343.605 where: short stacking energy: -199.217 Base-Backbone interact. energy: -2.145 local terms energy: -412.743864 where: bonds (distance) C4'-P energy: -119.243 bonds (distance) P-C4' energy: -139.153 flat angles C4'-P-C4' energy: -108.699 flat angles P-C4'-P energy: -75.285 tors. eta vs tors. theta energy: 29.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2792.258685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.258685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.258685 (E_RNA) where: Base-Base interactions energy: -1906.114 where: short stacking energy: -831.136 Base-Backbone interact. energy: -1.697 local terms energy: -884.447612 where: bonds (distance) C4'-P energy: -158.371 bonds (distance) P-C4' energy: -169.370 flat angles C4'-P-C4' energy: -180.046 flat angles P-C4'-P energy: -131.370 tors. eta vs tors. theta energy: -245.291 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: 9 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2720.403219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.403219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.403219 (E_RNA) where: Base-Base interactions energy: -1834.032 where: short stacking energy: -776.776 Base-Backbone interact. energy: -2.590 local terms energy: -883.781413 where: bonds (distance) C4'-P energy: -158.400 bonds (distance) P-C4' energy: -167.447 flat angles C4'-P-C4' energy: -195.589 flat angles P-C4'-P energy: -126.297 tors. eta vs tors. theta energy: -236.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2588.564481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.564481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.564481 (E_RNA) where: Base-Base interactions energy: -1736.014 where: short stacking energy: -749.525 Base-Backbone interact. energy: -2.645 local terms energy: -849.905953 where: bonds (distance) C4'-P energy: -175.977 bonds (distance) P-C4' energy: -156.330 flat angles C4'-P-C4' energy: -182.422 flat angles P-C4'-P energy: -116.710 tors. eta vs tors. theta energy: -218.467 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: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2497.349329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.349329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.349329 (E_RNA) where: Base-Base interactions energy: -1730.854 where: short stacking energy: -736.297 Base-Backbone interact. energy: -1.172 local terms energy: -765.322819 where: bonds (distance) C4'-P energy: -139.639 bonds (distance) P-C4' energy: -137.727 flat angles C4'-P-C4' energy: -156.076 flat angles P-C4'-P energy: -125.701 tors. eta vs tors. theta energy: -206.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2245.887706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.887706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.887706 (E_RNA) where: Base-Base interactions energy: -1527.247 where: short stacking energy: -649.824 Base-Backbone interact. energy: -0.133 local terms energy: -718.507965 where: bonds (distance) C4'-P energy: -136.524 bonds (distance) P-C4' energy: -140.172 flat angles C4'-P-C4' energy: -169.172 flat angles P-C4'-P energy: -98.450 tors. eta vs tors. theta energy: -174.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2046.614814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.614814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.614814 (E_RNA) where: Base-Base interactions energy: -1359.513 where: short stacking energy: -573.260 Base-Backbone interact. energy: -5.634 local terms energy: -681.467513 where: bonds (distance) C4'-P energy: -143.472 bonds (distance) P-C4' energy: -139.654 flat angles C4'-P-C4' energy: -158.489 flat angles P-C4'-P energy: -114.811 tors. eta vs tors. theta energy: -125.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1780.229725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.229725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.229725 (E_RNA) where: Base-Base interactions energy: -1160.823 where: short stacking energy: -530.876 Base-Backbone interact. energy: 0.464 local terms energy: -619.870230 where: bonds (distance) C4'-P energy: -122.600 bonds (distance) P-C4' energy: -149.237 flat angles C4'-P-C4' energy: -155.483 flat angles P-C4'-P energy: -80.586 tors. eta vs tors. theta energy: -111.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1547.359894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.359894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.359894 (E_RNA) where: Base-Base interactions energy: -981.122 where: short stacking energy: -438.846 Base-Backbone interact. energy: 4.077 local terms energy: -570.314900 where: bonds (distance) C4'-P energy: -103.744 bonds (distance) P-C4' energy: -147.149 flat angles C4'-P-C4' energy: -143.994 flat angles P-C4'-P energy: -98.280 tors. eta vs tors. theta energy: -77.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1137.506271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.506271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.506271 (E_RNA) where: Base-Base interactions energy: -617.725 where: short stacking energy: -309.352 Base-Backbone interact. energy: -2.018 local terms energy: -517.763080 where: bonds (distance) C4'-P energy: -113.127 bonds (distance) P-C4' energy: -157.116 flat angles C4'-P-C4' energy: -136.148 flat angles P-C4'-P energy: -78.564 tors. eta vs tors. theta energy: -32.809 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: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -752.989279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.989279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.989279 (E_RNA) where: Base-Base interactions energy: -332.505 where: short stacking energy: -224.809 Base-Backbone interact. energy: -0.820 local terms energy: -419.664565 where: bonds (distance) C4'-P energy: -110.011 bonds (distance) P-C4' energy: -140.189 flat angles C4'-P-C4' energy: -113.356 flat angles P-C4'-P energy: -66.108 tors. eta vs tors. theta energy: 9.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2807.988028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.988028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.988028 (E_RNA) where: Base-Base interactions energy: -1928.520 where: short stacking energy: -821.011 Base-Backbone interact. energy: 0.798 local terms energy: -880.265497 where: bonds (distance) C4'-P energy: -171.151 bonds (distance) P-C4' energy: -161.123 flat angles C4'-P-C4' energy: -175.024 flat angles P-C4'-P energy: -128.666 tors. eta vs tors. theta energy: -244.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2757.697069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.697069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.697069 (E_RNA) where: Base-Base interactions energy: -1901.837 where: short stacking energy: -808.523 Base-Backbone interact. energy: -1.645 local terms energy: -854.215063 where: bonds (distance) C4'-P energy: -170.151 bonds (distance) P-C4' energy: -155.932 flat angles C4'-P-C4' energy: -183.707 flat angles P-C4'-P energy: -100.977 tors. eta vs tors. theta energy: -243.448 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: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2630.400055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.400055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.400055 (E_RNA) where: Base-Base interactions energy: -1762.219 where: short stacking energy: -751.367 Base-Backbone interact. energy: 1.559 local terms energy: -869.740856 where: bonds (distance) C4'-P energy: -171.545 bonds (distance) P-C4' energy: -172.321 flat angles C4'-P-C4' energy: -181.845 flat angles P-C4'-P energy: -109.391 tors. eta vs tors. theta energy: -234.639 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: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2531.377135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.377135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.377135 (E_RNA) where: Base-Base interactions energy: -1721.204 where: short stacking energy: -757.576 Base-Backbone interact. energy: -3.026 local terms energy: -807.147258 where: bonds (distance) C4'-P energy: -144.121 bonds (distance) P-C4' energy: -156.217 flat angles C4'-P-C4' energy: -180.811 flat angles P-C4'-P energy: -115.890 tors. eta vs tors. theta energy: -210.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2237.067732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.067732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.067732 (E_RNA) where: Base-Base interactions energy: -1477.965 where: short stacking energy: -649.507 Base-Backbone interact. energy: 1.903 local terms energy: -761.005137 where: bonds (distance) C4'-P energy: -159.822 bonds (distance) P-C4' energy: -140.528 flat angles C4'-P-C4' energy: -174.001 flat angles P-C4'-P energy: -111.136 tors. eta vs tors. theta energy: -175.518 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: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2117.260137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.260137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.260137 (E_RNA) where: Base-Base interactions energy: -1380.541 where: short stacking energy: -583.317 Base-Backbone interact. energy: -4.945 local terms energy: -731.774181 where: bonds (distance) C4'-P energy: -138.226 bonds (distance) P-C4' energy: -159.192 flat angles C4'-P-C4' energy: -177.730 flat angles P-C4'-P energy: -98.334 tors. eta vs tors. theta energy: -158.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1856.707235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.707235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.707235 (E_RNA) where: Base-Base interactions energy: -1235.769 where: short stacking energy: -514.369 Base-Backbone interact. energy: 0.531 local terms energy: -621.468679 where: bonds (distance) C4'-P energy: -139.968 bonds (distance) P-C4' energy: -149.816 flat angles C4'-P-C4' energy: -128.668 flat angles P-C4'-P energy: -87.454 tors. eta vs tors. theta energy: -115.562 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: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1545.164599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.164599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.164599 (E_RNA) where: Base-Base interactions energy: -959.656 where: short stacking energy: -438.504 Base-Backbone interact. energy: -1.479 local terms energy: -584.029531 where: bonds (distance) C4'-P energy: -138.062 bonds (distance) P-C4' energy: -122.368 flat angles C4'-P-C4' energy: -145.919 flat angles P-C4'-P energy: -88.551 tors. eta vs tors. theta energy: -89.130 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: 3 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1098.271734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.271734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.271734 (E_RNA) where: Base-Base interactions energy: -621.648 where: short stacking energy: -319.200 Base-Backbone interact. energy: -0.267 local terms energy: -476.356115 where: bonds (distance) C4'-P energy: -124.206 bonds (distance) P-C4' energy: -122.239 flat angles C4'-P-C4' energy: -120.949 flat angles P-C4'-P energy: -78.902 tors. eta vs tors. theta energy: -30.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -735.377108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.377108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.377108 (E_RNA) where: Base-Base interactions energy: -310.381 where: short stacking energy: -228.046 Base-Backbone interact. energy: -0.875 local terms energy: -424.121549 where: bonds (distance) C4'-P energy: -125.472 bonds (distance) P-C4' energy: -108.970 flat angles C4'-P-C4' energy: -126.664 flat angles P-C4'-P energy: -65.546 tors. eta vs tors. theta energy: 2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2815.878023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.878023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.878023 (E_RNA) where: Base-Base interactions energy: -1932.860 where: short stacking energy: -816.671 Base-Backbone interact. energy: -7.925 local terms energy: -875.092599 where: bonds (distance) C4'-P energy: -151.127 bonds (distance) P-C4' energy: -169.466 flat angles C4'-P-C4' energy: -192.834 flat angles P-C4'-P energy: -123.519 tors. eta vs tors. theta energy: -238.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2707.321130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.321130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.321130 (E_RNA) where: Base-Base interactions energy: -1811.073 where: short stacking energy: -808.698 Base-Backbone interact. energy: -0.180 local terms energy: -896.068619 where: bonds (distance) C4'-P energy: -166.218 bonds (distance) P-C4' energy: -160.327 flat angles C4'-P-C4' energy: -186.418 flat angles P-C4'-P energy: -131.802 tors. eta vs tors. theta energy: -251.303 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: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2601.417682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.417682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.417682 (E_RNA) where: Base-Base interactions energy: -1781.790 where: short stacking energy: -816.362 Base-Backbone interact. energy: -4.036 local terms energy: -815.591777 where: bonds (distance) C4'-P energy: -142.715 bonds (distance) P-C4' energy: -126.709 flat angles C4'-P-C4' energy: -195.219 flat angles P-C4'-P energy: -117.107 tors. eta vs tors. theta energy: -233.841 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: 255 Temperature: 1.050000 Total energy: -2530.333090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.333090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.333090 (E_RNA) where: Base-Base interactions energy: -1740.974 where: short stacking energy: -746.708 Base-Backbone interact. energy: -6.718 local terms energy: -782.640258 where: bonds (distance) C4'-P energy: -143.496 bonds (distance) P-C4' energy: -146.118 flat angles C4'-P-C4' energy: -166.503 flat angles P-C4'-P energy: -106.728 tors. eta vs tors. theta energy: -219.795 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: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2196.739761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.739761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.739761 (E_RNA) where: Base-Base interactions energy: -1470.744 where: short stacking energy: -614.497 Base-Backbone interact. energy: -2.613 local terms energy: -723.382440 where: bonds (distance) C4'-P energy: -143.883 bonds (distance) P-C4' energy: -138.684 flat angles C4'-P-C4' energy: -169.828 flat angles P-C4'-P energy: -93.941 tors. eta vs tors. theta energy: -177.047 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: 255 Temperature: 1.150000 Total energy: -2146.731053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.731053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.731053 (E_RNA) where: Base-Base interactions energy: -1416.995 where: short stacking energy: -608.204 Base-Backbone interact. energy: -0.515 local terms energy: -729.221161 where: bonds (distance) C4'-P energy: -137.211 bonds (distance) P-C4' energy: -152.325 flat angles C4'-P-C4' energy: -162.341 flat angles P-C4'-P energy: -121.437 tors. eta vs tors. theta energy: -155.906 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: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1804.246389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.246389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.246389 (E_RNA) where: Base-Base interactions energy: -1206.608 where: short stacking energy: -507.746 Base-Backbone interact. energy: -4.821 local terms energy: -592.817205 where: bonds (distance) C4'-P energy: -125.674 bonds (distance) P-C4' energy: -142.100 flat angles C4'-P-C4' energy: -126.021 flat angles P-C4'-P energy: -91.889 tors. eta vs tors. theta energy: -107.133 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: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1568.500592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.500592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.500592 (E_RNA) where: Base-Base interactions energy: -967.994 where: short stacking energy: -447.683 Base-Backbone interact. energy: 3.024 local terms energy: -603.530705 where: bonds (distance) C4'-P energy: -134.067 bonds (distance) P-C4' energy: -155.050 flat angles C4'-P-C4' energy: -136.545 flat angles P-C4'-P energy: -87.673 tors. eta vs tors. theta energy: -90.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1242.735375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.735375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.735375 (E_RNA) where: Base-Base interactions energy: -671.691 where: short stacking energy: -344.560 Base-Backbone interact. energy: 2.086 local terms energy: -573.130112 where: bonds (distance) C4'-P energy: -142.016 bonds (distance) P-C4' energy: -130.630 flat angles C4'-P-C4' energy: -143.839 flat angles P-C4'-P energy: -90.785 tors. eta vs tors. theta energy: -65.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -804.802399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.802399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.802399 (E_RNA) where: Base-Base interactions energy: -379.700 where: short stacking energy: -227.252 Base-Backbone interact. energy: 0.449 local terms energy: -425.551022 where: bonds (distance) C4'-P energy: -111.703 bonds (distance) P-C4' energy: -129.803 flat angles C4'-P-C4' energy: -125.594 flat angles P-C4'-P energy: -59.036 tors. eta vs tors. theta energy: 0.585 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: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2790.221021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.221021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.221021 (E_RNA) where: Base-Base interactions energy: -1907.569 where: short stacking energy: -811.435 Base-Backbone interact. energy: -3.070 local terms energy: -879.582062 where: bonds (distance) C4'-P energy: -158.077 bonds (distance) P-C4' energy: -179.366 flat angles C4'-P-C4' energy: -190.754 flat angles P-C4'-P energy: -129.084 tors. eta vs tors. theta energy: -222.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2664.025024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.025024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.025024 (E_RNA) where: Base-Base interactions energy: -1798.668 where: short stacking energy: -807.639 Base-Backbone interact. energy: -0.062 local terms energy: -865.295028 where: bonds (distance) C4'-P energy: -160.740 bonds (distance) P-C4' energy: -154.936 flat angles C4'-P-C4' energy: -182.752 flat angles P-C4'-P energy: -117.517 tors. eta vs tors. theta energy: -249.351 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: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2580.396386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.396386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.396386 (E_RNA) where: Base-Base interactions energy: -1783.703 where: short stacking energy: -783.604 Base-Backbone interact. energy: -4.337 local terms energy: -792.355823 where: bonds (distance) C4'-P energy: -124.123 bonds (distance) P-C4' energy: -150.616 flat angles C4'-P-C4' energy: -184.434 flat angles P-C4'-P energy: -112.278 tors. eta vs tors. theta energy: -220.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2567.937974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.937974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.937974 (E_RNA) where: Base-Base interactions energy: -1757.732 where: short stacking energy: -748.782 Base-Backbone interact. energy: -3.693 local terms energy: -806.512743 where: bonds (distance) C4'-P energy: -166.201 bonds (distance) P-C4' energy: -134.071 flat angles C4'-P-C4' energy: -179.974 flat angles P-C4'-P energy: -114.584 tors. eta vs tors. theta energy: -211.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2222.251413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.251413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.251413 (E_RNA) where: Base-Base interactions energy: -1477.325 where: short stacking energy: -628.165 Base-Backbone interact. energy: -4.947 local terms energy: -739.979027 where: bonds (distance) C4'-P energy: -138.433 bonds (distance) P-C4' energy: -146.308 flat angles C4'-P-C4' energy: -173.270 flat angles P-C4'-P energy: -101.656 tors. eta vs tors. theta energy: -180.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2109.521928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.521928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.521928 (E_RNA) where: Base-Base interactions energy: -1397.930 where: short stacking energy: -589.469 Base-Backbone interact. energy: 3.351 local terms energy: -714.942632 where: bonds (distance) C4'-P energy: -156.344 bonds (distance) P-C4' energy: -148.766 flat angles C4'-P-C4' energy: -142.426 flat angles P-C4'-P energy: -112.466 tors. eta vs tors. theta energy: -154.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1813.309631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.309631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.309631 (E_RNA) where: Base-Base interactions energy: -1183.164 where: short stacking energy: -502.275 Base-Backbone interact. energy: -4.520 local terms energy: -625.625050 where: bonds (distance) C4'-P energy: -151.706 bonds (distance) P-C4' energy: -140.505 flat angles C4'-P-C4' energy: -153.477 flat angles P-C4'-P energy: -88.842 tors. eta vs tors. theta energy: -91.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1557.312415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.312415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.312415 (E_RNA) where: Base-Base interactions energy: -968.985 where: short stacking energy: -457.003 Base-Backbone interact. energy: -2.959 local terms energy: -585.368487 where: bonds (distance) C4'-P energy: -139.570 bonds (distance) P-C4' energy: -148.385 flat angles C4'-P-C4' energy: -124.071 flat angles P-C4'-P energy: -89.557 tors. eta vs tors. theta energy: -83.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1170.419778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.419778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.419778 (E_RNA) where: Base-Base interactions energy: -657.946 where: short stacking energy: -356.609 Base-Backbone interact. energy: -3.141 local terms energy: -509.332874 where: bonds (distance) C4'-P energy: -133.278 bonds (distance) P-C4' energy: -125.641 flat angles C4'-P-C4' energy: -138.702 flat angles P-C4'-P energy: -80.700 tors. eta vs tors. theta energy: -31.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -819.330811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.330811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.330811 (E_RNA) where: Base-Base interactions energy: -379.584 where: short stacking energy: -228.497 Base-Backbone interact. energy: -1.906 local terms energy: -437.840357 where: bonds (distance) C4'-P energy: -138.765 bonds (distance) P-C4' energy: -135.125 flat angles C4'-P-C4' energy: -100.293 flat angles P-C4'-P energy: -83.055 tors. eta vs tors. theta energy: 19.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2793.055689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.055689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.055689 (E_RNA) where: Base-Base interactions energy: -1903.514 where: short stacking energy: -824.811 Base-Backbone interact. energy: -1.780 local terms energy: -887.761702 where: bonds (distance) C4'-P energy: -171.773 bonds (distance) P-C4' energy: -161.334 flat angles C4'-P-C4' energy: -192.164 flat angles P-C4'-P energy: -124.110 tors. eta vs tors. theta energy: -238.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2664.194824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.194824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.194824 (E_RNA) where: Base-Base interactions energy: -1815.541 where: short stacking energy: -806.055 Base-Backbone interact. energy: -2.188 local terms energy: -846.465621 where: bonds (distance) C4'-P energy: -148.363 bonds (distance) P-C4' energy: -156.084 flat angles C4'-P-C4' energy: -191.866 flat angles P-C4'-P energy: -109.427 tors. eta vs tors. theta energy: -240.727 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: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2608.830470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.830470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.830470 (E_RNA) where: Base-Base interactions energy: -1767.560 where: short stacking energy: -754.673 Base-Backbone interact. energy: -6.588 local terms energy: -834.682209 where: bonds (distance) C4'-P energy: -156.604 bonds (distance) P-C4' energy: -159.233 flat angles C4'-P-C4' energy: -180.291 flat angles P-C4'-P energy: -124.543 tors. eta vs tors. theta energy: -214.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2551.357825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.357825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.357825 (E_RNA) where: Base-Base interactions energy: -1761.751 where: short stacking energy: -754.811 Base-Backbone interact. energy: -3.639 local terms energy: -785.967770 where: bonds (distance) C4'-P energy: -134.911 bonds (distance) P-C4' energy: -161.907 flat angles C4'-P-C4' energy: -167.252 flat angles P-C4'-P energy: -100.611 tors. eta vs tors. theta energy: -221.287 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: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2213.413618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.413618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.413618 (E_RNA) where: Base-Base interactions energy: -1489.161 where: short stacking energy: -635.891 Base-Backbone interact. energy: -2.981 local terms energy: -721.272400 where: bonds (distance) C4'-P energy: -128.032 bonds (distance) P-C4' energy: -162.530 flat angles C4'-P-C4' energy: -170.764 flat angles P-C4'-P energy: -102.813 tors. eta vs tors. theta energy: -157.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2050.012574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.012574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.012574 (E_RNA) where: Base-Base interactions energy: -1357.357 where: short stacking energy: -585.632 Base-Backbone interact. energy: -4.348 local terms energy: -688.308461 where: bonds (distance) C4'-P energy: -140.702 bonds (distance) P-C4' energy: -149.125 flat angles C4'-P-C4' energy: -166.436 flat angles P-C4'-P energy: -74.648 tors. eta vs tors. theta energy: -157.398 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: 8 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1785.021088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.021088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.021088 (E_RNA) where: Base-Base interactions energy: -1158.366 where: short stacking energy: -517.409 Base-Backbone interact. energy: -3.995 local terms energy: -622.659871 where: bonds (distance) C4'-P energy: -141.929 bonds (distance) P-C4' energy: -149.289 flat angles C4'-P-C4' energy: -148.194 flat angles P-C4'-P energy: -77.294 tors. eta vs tors. theta energy: -105.954 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: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1599.040682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.040682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.040682 (E_RNA) where: Base-Base interactions energy: -1025.237 where: short stacking energy: -464.340 Base-Backbone interact. energy: -3.205 local terms energy: -570.598114 where: bonds (distance) C4'-P energy: -121.154 bonds (distance) P-C4' energy: -133.885 flat angles C4'-P-C4' energy: -135.708 flat angles P-C4'-P energy: -97.712 tors. eta vs tors. theta energy: -82.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1154.911237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.911237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.911237 (E_RNA) where: Base-Base interactions energy: -636.364 where: short stacking energy: -316.224 Base-Backbone interact. energy: -3.354 local terms energy: -515.193285 where: bonds (distance) C4'-P energy: -139.866 bonds (distance) P-C4' energy: -141.713 flat angles C4'-P-C4' energy: -123.905 flat angles P-C4'-P energy: -77.132 tors. eta vs tors. theta energy: -32.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -846.027701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.027701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.027701 (E_RNA) where: Base-Base interactions energy: -401.338 where: short stacking energy: -237.701 Base-Backbone interact. energy: 6.313 local terms energy: -451.002845 where: bonds (distance) C4'-P energy: -141.313 bonds (distance) P-C4' energy: -127.146 flat angles C4'-P-C4' energy: -127.017 flat angles P-C4'-P energy: -59.407 tors. eta vs tors. theta energy: 3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2833.382673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.382673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.382673 (E_RNA) where: Base-Base interactions energy: -1944.024 where: short stacking energy: -828.391 Base-Backbone interact. energy: -5.144 local terms energy: -884.214574 where: bonds (distance) C4'-P energy: -170.366 bonds (distance) P-C4' energy: -165.527 flat angles C4'-P-C4' energy: -164.686 flat angles P-C4'-P energy: -139.912 tors. eta vs tors. theta energy: -243.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2675.572748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.572748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.572748 (E_RNA) where: Base-Base interactions energy: -1805.603 where: short stacking energy: -792.596 Base-Backbone interact. energy: -4.268 local terms energy: -865.701341 where: bonds (distance) C4'-P energy: -150.178 bonds (distance) P-C4' energy: -178.003 flat angles C4'-P-C4' energy: -176.563 flat angles P-C4'-P energy: -120.345 tors. eta vs tors. theta energy: -240.612 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: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2591.895949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.895949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.895949 (E_RNA) where: Base-Base interactions energy: -1740.049 where: short stacking energy: -781.773 Base-Backbone interact. energy: -3.284 local terms energy: -848.563016 where: bonds (distance) C4'-P energy: -149.890 bonds (distance) P-C4' energy: -158.796 flat angles C4'-P-C4' energy: -195.578 flat angles P-C4'-P energy: -128.915 tors. eta vs tors. theta energy: -215.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2526.243073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.243073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.243073 (E_RNA) where: Base-Base interactions energy: -1741.707 where: short stacking energy: -719.619 Base-Backbone interact. energy: -4.436 local terms energy: -780.099504 where: bonds (distance) C4'-P energy: -134.001 bonds (distance) P-C4' energy: -149.864 flat angles C4'-P-C4' energy: -167.976 flat angles P-C4'-P energy: -123.928 tors. eta vs tors. theta energy: -204.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2130.460351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.460351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.460351 (E_RNA) where: Base-Base interactions energy: -1444.165 where: short stacking energy: -606.252 Base-Backbone interact. energy: -2.459 local terms energy: -683.835374 where: bonds (distance) C4'-P energy: -144.359 bonds (distance) P-C4' energy: -139.176 flat angles C4'-P-C4' energy: -149.150 flat angles P-C4'-P energy: -104.450 tors. eta vs tors. theta energy: -146.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2059.246137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.246137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.246137 (E_RNA) where: Base-Base interactions energy: -1375.184 where: short stacking energy: -573.696 Base-Backbone interact. energy: -2.824 local terms energy: -681.237375 where: bonds (distance) C4'-P energy: -138.373 bonds (distance) P-C4' energy: -139.410 flat angles C4'-P-C4' energy: -161.796 flat angles P-C4'-P energy: -92.482 tors. eta vs tors. theta energy: -149.177 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: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1809.368005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.368005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.368005 (E_RNA) where: Base-Base interactions energy: -1162.038 where: short stacking energy: -534.836 Base-Backbone interact. energy: -0.387 local terms energy: -646.942781 where: bonds (distance) C4'-P energy: -142.280 bonds (distance) P-C4' energy: -144.371 flat angles C4'-P-C4' energy: -145.656 flat angles P-C4'-P energy: -91.311 tors. eta vs tors. theta energy: -123.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1585.287259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.287259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.287259 (E_RNA) where: Base-Base interactions energy: -998.989 where: short stacking energy: -433.620 Base-Backbone interact. energy: -2.270 local terms energy: -584.028127 where: bonds (distance) C4'-P energy: -145.002 bonds (distance) P-C4' energy: -129.332 flat angles C4'-P-C4' energy: -141.858 flat angles P-C4'-P energy: -96.363 tors. eta vs tors. theta energy: -71.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1109.116666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.116666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.116666 (E_RNA) where: Base-Base interactions energy: -621.994 where: short stacking energy: -306.867 Base-Backbone interact. energy: 2.353 local terms energy: -489.476071 where: bonds (distance) C4'-P energy: -126.589 bonds (distance) P-C4' energy: -133.394 flat angles C4'-P-C4' energy: -118.713 flat angles P-C4'-P energy: -86.945 tors. eta vs tors. theta energy: -23.835 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: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -738.738572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.738572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.738572 (E_RNA) where: Base-Base interactions energy: -335.139 where: short stacking energy: -198.638 Base-Backbone interact. energy: 2.776 local terms energy: -406.375687 where: bonds (distance) C4'-P energy: -108.008 bonds (distance) P-C4' energy: -155.593 flat angles C4'-P-C4' energy: -96.072 flat angles P-C4'-P energy: -60.421 tors. eta vs tors. theta energy: 13.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2797.768658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.768658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.768658 (E_RNA) where: Base-Base interactions energy: -1936.037 where: short stacking energy: -829.452 Base-Backbone interact. energy: -0.480 local terms energy: -861.251379 where: bonds (distance) C4'-P energy: -153.019 bonds (distance) P-C4' energy: -156.529 flat angles C4'-P-C4' energy: -185.281 flat angles P-C4'-P energy: -123.979 tors. eta vs tors. theta energy: -242.444 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: 2, replica: 9 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2693.907328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.907328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.907328 (E_RNA) where: Base-Base interactions energy: -1832.991 where: short stacking energy: -813.467 Base-Backbone interact. energy: -1.906 local terms energy: -859.010471 where: bonds (distance) C4'-P energy: -162.105 bonds (distance) P-C4' energy: -168.591 flat angles C4'-P-C4' energy: -178.638 flat angles P-C4'-P energy: -118.646 tors. eta vs tors. theta energy: -231.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2589.789328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.789328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.789328 (E_RNA) where: Base-Base interactions energy: -1763.605 where: short stacking energy: -777.129 Base-Backbone interact. energy: -2.702 local terms energy: -823.482635 where: bonds (distance) C4'-P energy: -157.943 bonds (distance) P-C4' energy: -147.729 flat angles C4'-P-C4' energy: -174.515 flat angles P-C4'-P energy: -123.381 tors. eta vs tors. theta energy: -219.914 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: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2533.952832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.952832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.952832 (E_RNA) where: Base-Base interactions energy: -1746.146 where: short stacking energy: -727.468 Base-Backbone interact. energy: 0.474 local terms energy: -788.281724 where: bonds (distance) C4'-P energy: -158.934 bonds (distance) P-C4' energy: -154.382 flat angles C4'-P-C4' energy: -168.016 flat angles P-C4'-P energy: -100.658 tors. eta vs tors. theta energy: -206.292 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: 259 Temperature: 1.100000 Total energy: -2227.490627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.490627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.490627 (E_RNA) where: Base-Base interactions energy: -1487.441 where: short stacking energy: -639.652 Base-Backbone interact. energy: -5.150 local terms energy: -734.899164 where: bonds (distance) C4'-P energy: -150.096 bonds (distance) P-C4' energy: -147.820 flat angles C4'-P-C4' energy: -141.109 flat angles P-C4'-P energy: -110.235 tors. eta vs tors. theta energy: -185.640 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: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2127.027321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.027321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.027321 (E_RNA) where: Base-Base interactions energy: -1413.914 where: short stacking energy: -577.313 Base-Backbone interact. energy: -4.352 local terms energy: -708.762057 where: bonds (distance) C4'-P energy: -133.435 bonds (distance) P-C4' energy: -150.514 flat angles C4'-P-C4' energy: -158.974 flat angles P-C4'-P energy: -100.617 tors. eta vs tors. theta energy: -165.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1792.553058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.553058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.553058 (E_RNA) where: Base-Base interactions energy: -1191.787 where: short stacking energy: -514.213 Base-Backbone interact. energy: -6.554 local terms energy: -594.211618 where: bonds (distance) C4'-P energy: -118.160 bonds (distance) P-C4' energy: -138.287 flat angles C4'-P-C4' energy: -142.771 flat angles P-C4'-P energy: -88.255 tors. eta vs tors. theta energy: -106.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1525.481214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.481214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.481214 (E_RNA) where: Base-Base interactions energy: -918.149 where: short stacking energy: -412.829 Base-Backbone interact. energy: 2.022 local terms energy: -609.354128 where: bonds (distance) C4'-P energy: -149.529 bonds (distance) P-C4' energy: -133.017 flat angles C4'-P-C4' energy: -148.582 flat angles P-C4'-P energy: -104.705 tors. eta vs tors. theta energy: -73.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1103.150188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.150188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.150188 (E_RNA) where: Base-Base interactions energy: -612.653 where: short stacking energy: -320.939 Base-Backbone interact. energy: -3.785 local terms energy: -486.712425 where: bonds (distance) C4'-P energy: -134.660 bonds (distance) P-C4' energy: -120.512 flat angles C4'-P-C4' energy: -140.216 flat angles P-C4'-P energy: -64.683 tors. eta vs tors. theta energy: -26.641 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: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -811.529811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.529811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.529811 (E_RNA) where: Base-Base interactions energy: -383.755 where: short stacking energy: -231.768 Base-Backbone interact. energy: 6.219 local terms energy: -433.993903 where: bonds (distance) C4'-P energy: -126.394 bonds (distance) P-C4' energy: -143.362 flat angles C4'-P-C4' energy: -117.660 flat angles P-C4'-P energy: -49.977 tors. eta vs tors. theta energy: 3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2788.114880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.114880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.114880 (E_RNA) where: Base-Base interactions energy: -1902.223 where: short stacking energy: -798.465 Base-Backbone interact. energy: -3.273 local terms energy: -882.618175 where: bonds (distance) C4'-P energy: -177.771 bonds (distance) P-C4' energy: -166.746 flat angles C4'-P-C4' energy: -188.041 flat angles P-C4'-P energy: -118.026 tors. eta vs tors. theta energy: -232.034 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: 9 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2729.464168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.464168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.464168 (E_RNA) where: Base-Base interactions energy: -1869.179 where: short stacking energy: -845.925 Base-Backbone interact. energy: -3.274 local terms energy: -857.010654 where: bonds (distance) C4'-P energy: -156.966 bonds (distance) P-C4' energy: -137.168 flat angles C4'-P-C4' energy: -187.313 flat angles P-C4'-P energy: -116.595 tors. eta vs tors. theta energy: -258.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2598.150359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.150359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.150359 (E_RNA) where: Base-Base interactions energy: -1781.292 where: short stacking energy: -775.522 Base-Backbone interact. energy: -1.406 local terms energy: -815.452416 where: bonds (distance) C4'-P energy: -154.186 bonds (distance) P-C4' energy: -147.193 flat angles C4'-P-C4' energy: -179.567 flat angles P-C4'-P energy: -116.202 tors. eta vs tors. theta energy: -218.304 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: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2537.272760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.272760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.272760 (E_RNA) where: Base-Base interactions energy: -1734.977 where: short stacking energy: -742.424 Base-Backbone interact. energy: -1.368 local terms energy: -800.928124 where: bonds (distance) C4'-P energy: -152.195 bonds (distance) P-C4' energy: -149.419 flat angles C4'-P-C4' energy: -165.743 flat angles P-C4'-P energy: -115.120 tors. eta vs tors. theta energy: -218.451 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: 260 Temperature: 1.100000 Total energy: -2297.710413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.710413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.710413 (E_RNA) where: Base-Base interactions energy: -1522.719 where: short stacking energy: -643.704 Base-Backbone interact. energy: -1.187 local terms energy: -773.804269 where: bonds (distance) C4'-P energy: -132.688 bonds (distance) P-C4' energy: -155.650 flat angles C4'-P-C4' energy: -185.528 flat angles P-C4'-P energy: -112.412 tors. eta vs tors. theta energy: -187.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2083.628140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.628140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.628140 (E_RNA) where: Base-Base interactions energy: -1389.212 where: short stacking energy: -597.529 Base-Backbone interact. energy: -0.937 local terms energy: -693.479281 where: bonds (distance) C4'-P energy: -151.344 bonds (distance) P-C4' energy: -143.689 flat angles C4'-P-C4' energy: -148.889 flat angles P-C4'-P energy: -81.741 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: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1818.343205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.343205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.343205 (E_RNA) where: Base-Base interactions energy: -1216.227 where: short stacking energy: -503.266 Base-Backbone interact. energy: -0.930 local terms energy: -601.186043 where: bonds (distance) C4'-P energy: -130.997 bonds (distance) P-C4' energy: -140.518 flat angles C4'-P-C4' energy: -135.919 flat angles P-C4'-P energy: -96.347 tors. eta vs tors. theta energy: -97.406 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: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1594.424973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.424973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.424973 (E_RNA) where: Base-Base interactions energy: -1015.058 where: short stacking energy: -449.619 Base-Backbone interact. energy: -2.533 local terms energy: -576.833734 where: bonds (distance) C4'-P energy: -131.488 bonds (distance) P-C4' energy: -125.806 flat angles C4'-P-C4' energy: -132.434 flat angles P-C4'-P energy: -107.402 tors. eta vs tors. theta energy: -79.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1101.308266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.308266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.308266 (E_RNA) where: Base-Base interactions energy: -590.829 where: short stacking energy: -333.418 Base-Backbone interact. energy: -0.745 local terms energy: -509.734329 where: bonds (distance) C4'-P energy: -139.554 bonds (distance) P-C4' energy: -122.729 flat angles C4'-P-C4' energy: -126.270 flat angles P-C4'-P energy: -88.670 tors. eta vs tors. theta energy: -32.511 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: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -792.559282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.559282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.559282 (E_RNA) where: Base-Base interactions energy: -375.682 where: short stacking energy: -213.307 Base-Backbone interact. energy: 4.842 local terms energy: -421.718653 where: bonds (distance) C4'-P energy: -134.041 bonds (distance) P-C4' energy: -139.311 flat angles C4'-P-C4' energy: -114.995 flat angles P-C4'-P energy: -62.301 tors. eta vs tors. theta energy: 28.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2799.700118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.700118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.700118 (E_RNA) where: Base-Base interactions energy: -1914.621 where: short stacking energy: -805.237 Base-Backbone interact. energy: -1.301 local terms energy: -883.778097 where: bonds (distance) C4'-P energy: -169.585 bonds (distance) P-C4' energy: -168.866 flat angles C4'-P-C4' energy: -193.659 flat angles P-C4'-P energy: -121.625 tors. eta vs tors. theta energy: -230.043 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: 9 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2671.459205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.459205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.459205 (E_RNA) where: Base-Base interactions energy: -1785.185 where: short stacking energy: -782.112 Base-Backbone interact. energy: -3.250 local terms energy: -883.024042 where: bonds (distance) C4'-P energy: -155.929 bonds (distance) P-C4' energy: -167.371 flat angles C4'-P-C4' energy: -186.125 flat angles P-C4'-P energy: -128.892 tors. eta vs tors. theta energy: -244.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2603.371221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.371221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.371221 (E_RNA) where: Base-Base interactions energy: -1766.983 where: short stacking energy: -747.795 Base-Backbone interact. energy: -0.427 local terms energy: -835.961746 where: bonds (distance) C4'-P energy: -166.950 bonds (distance) P-C4' energy: -170.967 flat angles C4'-P-C4' energy: -169.428 flat angles P-C4'-P energy: -111.602 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: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2533.417210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.417210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.417210 (E_RNA) where: Base-Base interactions energy: -1762.714 where: short stacking energy: -754.949 Base-Backbone interact. energy: -1.089 local terms energy: -769.614800 where: bonds (distance) C4'-P energy: -140.146 bonds (distance) P-C4' energy: -157.746 flat angles C4'-P-C4' energy: -162.453 flat angles P-C4'-P energy: -95.804 tors. eta vs tors. theta energy: -213.466 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: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2323.376727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.376727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.376727 (E_RNA) where: Base-Base interactions energy: -1584.912 where: short stacking energy: -658.143 Base-Backbone interact. energy: 2.093 local terms energy: -740.557334 where: bonds (distance) C4'-P energy: -135.053 bonds (distance) P-C4' energy: -147.774 flat angles C4'-P-C4' energy: -161.513 flat angles P-C4'-P energy: -115.871 tors. eta vs tors. theta energy: -180.347 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: 6, replica: 7 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2038.003842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.003842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.003842 (E_RNA) where: Base-Base interactions energy: -1379.386 where: short stacking energy: -578.298 Base-Backbone interact. energy: -0.654 local terms energy: -657.963638 where: bonds (distance) C4'-P energy: -133.099 bonds (distance) P-C4' energy: -128.106 flat angles C4'-P-C4' energy: -150.699 flat angles P-C4'-P energy: -99.738 tors. eta vs tors. theta energy: -146.321 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: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1750.707009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.707009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.707009 (E_RNA) where: Base-Base interactions energy: -1146.227 where: short stacking energy: -492.900 Base-Backbone interact. energy: 2.864 local terms energy: -607.344616 where: bonds (distance) C4'-P energy: -149.716 bonds (distance) P-C4' energy: -134.296 flat angles C4'-P-C4' energy: -127.594 flat angles P-C4'-P energy: -86.642 tors. eta vs tors. theta energy: -109.096 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: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1611.993806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.993806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.993806 (E_RNA) where: Base-Base interactions energy: -1033.695 where: short stacking energy: -454.380 Base-Backbone interact. energy: 2.096 local terms energy: -580.394252 where: bonds (distance) C4'-P energy: -140.485 bonds (distance) P-C4' energy: -138.069 flat angles C4'-P-C4' energy: -146.381 flat angles P-C4'-P energy: -74.231 tors. eta vs tors. theta energy: -81.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1110.895404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.895404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.895404 (E_RNA) where: Base-Base interactions energy: -646.387 where: short stacking energy: -324.449 Base-Backbone interact. energy: 3.206 local terms energy: -467.713935 where: bonds (distance) C4'-P energy: -136.906 bonds (distance) P-C4' energy: -139.169 flat angles C4'-P-C4' energy: -107.856 flat angles P-C4'-P energy: -80.785 tors. eta vs tors. theta energy: -2.998 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: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -739.761266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.761266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.761266 (E_RNA) where: Base-Base interactions energy: -300.563 where: short stacking energy: -196.307 Base-Backbone interact. energy: 2.377 local terms energy: -441.574917 where: bonds (distance) C4'-P energy: -115.864 bonds (distance) P-C4' energy: -148.964 flat angles C4'-P-C4' energy: -127.528 flat angles P-C4'-P energy: -51.129 tors. eta vs tors. theta energy: 1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2802.378295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.378295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.378295 (E_RNA) where: Base-Base interactions energy: -1903.378 where: short stacking energy: -821.464 Base-Backbone interact. energy: -0.948 local terms energy: -898.053010 where: bonds (distance) C4'-P energy: -174.051 bonds (distance) P-C4' energy: -162.419 flat angles C4'-P-C4' energy: -187.682 flat angles P-C4'-P energy: -127.827 tors. eta vs tors. theta energy: -246.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2706.830723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.830723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.830723 (E_RNA) where: Base-Base interactions energy: -1826.010 where: short stacking energy: -782.047 Base-Backbone interact. energy: 0.604 local terms energy: -881.424848 where: bonds (distance) C4'-P energy: -167.252 bonds (distance) P-C4' energy: -162.981 flat angles C4'-P-C4' energy: -180.508 flat angles P-C4'-P energy: -126.212 tors. eta vs tors. theta energy: -244.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2595.813139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.813139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.813139 (E_RNA) where: Base-Base interactions energy: -1750.998 where: short stacking energy: -766.993 Base-Backbone interact. energy: -5.456 local terms energy: -839.358741 where: bonds (distance) C4'-P energy: -139.106 bonds (distance) P-C4' energy: -168.698 flat angles C4'-P-C4' energy: -177.135 flat angles P-C4'-P energy: -118.617 tors. eta vs tors. theta energy: -235.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2510.443421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.443421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.443421 (E_RNA) where: Base-Base interactions energy: -1707.527 where: short stacking energy: -750.750 Base-Backbone interact. energy: -3.415 local terms energy: -799.501952 where: bonds (distance) C4'-P energy: -161.429 bonds (distance) P-C4' energy: -143.112 flat angles C4'-P-C4' energy: -176.281 flat angles P-C4'-P energy: -100.980 tors. eta vs tors. theta energy: -217.699 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: 262 Temperature: 1.100000 Total energy: -2295.001642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.001642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.001642 (E_RNA) where: Base-Base interactions energy: -1531.630 where: short stacking energy: -672.865 Base-Backbone interact. energy: -0.882 local terms energy: -762.489546 where: bonds (distance) C4'-P energy: -143.146 bonds (distance) P-C4' energy: -142.688 flat angles C4'-P-C4' energy: -169.082 flat angles P-C4'-P energy: -123.746 tors. eta vs tors. theta energy: -183.829 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: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2072.500962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.500962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.500962 (E_RNA) where: Base-Base interactions energy: -1339.844 where: short stacking energy: -587.541 Base-Backbone interact. energy: -3.749 local terms energy: -728.907503 where: bonds (distance) C4'-P energy: -153.035 bonds (distance) P-C4' energy: -146.872 flat angles C4'-P-C4' energy: -158.289 flat angles P-C4'-P energy: -100.778 tors. eta vs tors. theta energy: -169.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1808.620399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.620399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.620399 (E_RNA) where: Base-Base interactions energy: -1145.045 where: short stacking energy: -478.989 Base-Backbone interact. energy: 1.530 local terms energy: -665.105067 where: bonds (distance) C4'-P energy: -142.482 bonds (distance) P-C4' energy: -149.556 flat angles C4'-P-C4' energy: -151.305 flat angles P-C4'-P energy: -98.462 tors. eta vs tors. theta energy: -123.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1476.051583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.051583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.051583 (E_RNA) where: Base-Base interactions energy: -907.555 where: short stacking energy: -403.714 Base-Backbone interact. energy: -3.979 local terms energy: -564.517642 where: bonds (distance) C4'-P energy: -138.980 bonds (distance) P-C4' energy: -151.554 flat angles C4'-P-C4' energy: -122.290 flat angles P-C4'-P energy: -84.726 tors. eta vs tors. theta energy: -66.967 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: 3 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1069.313141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.313141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.313141 (E_RNA) where: Base-Base interactions energy: -611.895 where: short stacking energy: -309.540 Base-Backbone interact. energy: 4.959 local terms energy: -462.376972 where: bonds (distance) C4'-P energy: -114.869 bonds (distance) P-C4' energy: -134.350 flat angles C4'-P-C4' energy: -129.311 flat angles P-C4'-P energy: -78.413 tors. eta vs tors. theta energy: -5.433 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: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -726.334435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.334435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.334435 (E_RNA) where: Base-Base interactions energy: -310.708 where: short stacking energy: -207.701 Base-Backbone interact. energy: -1.039 local terms energy: -414.586796 where: bonds (distance) C4'-P energy: -121.838 bonds (distance) P-C4' energy: -126.069 flat angles C4'-P-C4' energy: -122.649 flat angles P-C4'-P energy: -78.597 tors. eta vs tors. theta energy: 34.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2841.226687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.226687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.226687 (E_RNA) where: Base-Base interactions energy: -1944.950 where: short stacking energy: -822.693 Base-Backbone interact. energy: -3.084 local terms energy: -893.192280 where: bonds (distance) C4'-P energy: -158.498 bonds (distance) P-C4' energy: -170.666 flat angles C4'-P-C4' energy: -186.152 flat angles P-C4'-P energy: -132.461 tors. eta vs tors. theta energy: -245.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2707.293985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.293985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.293985 (E_RNA) where: Base-Base interactions energy: -1811.235 where: short stacking energy: -788.180 Base-Backbone interact. energy: -4.082 local terms energy: -891.977130 where: bonds (distance) C4'-P energy: -174.535 bonds (distance) P-C4' energy: -167.811 flat angles C4'-P-C4' energy: -186.562 flat angles P-C4'-P energy: -113.842 tors. eta vs tors. theta energy: -249.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2671.066431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.066431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.066431 (E_RNA) where: Base-Base interactions energy: -1807.584 where: short stacking energy: -790.712 Base-Backbone interact. energy: -3.500 local terms energy: -859.982224 where: bonds (distance) C4'-P energy: -157.080 bonds (distance) P-C4' energy: -160.275 flat angles C4'-P-C4' energy: -189.903 flat angles P-C4'-P energy: -117.100 tors. eta vs tors. theta energy: -235.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2514.318506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.318506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.318506 (E_RNA) where: Base-Base interactions energy: -1761.069 where: short stacking energy: -730.223 Base-Backbone interact. energy: -2.035 local terms energy: -751.214599 where: bonds (distance) C4'-P energy: -145.425 bonds (distance) P-C4' energy: -131.992 flat angles C4'-P-C4' energy: -162.201 flat angles P-C4'-P energy: -105.168 tors. eta vs tors. theta energy: -206.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2400.786257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.786257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.786257 (E_RNA) where: Base-Base interactions energy: -1646.354 where: short stacking energy: -673.198 Base-Backbone interact. energy: -1.197 local terms energy: -753.235077 where: bonds (distance) C4'-P energy: -142.846 bonds (distance) P-C4' energy: -148.222 flat angles C4'-P-C4' energy: -166.687 flat angles P-C4'-P energy: -99.622 tors. eta vs tors. theta energy: -195.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2076.727474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.727474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.727474 (E_RNA) where: Base-Base interactions energy: -1368.506 where: short stacking energy: -603.900 Base-Backbone interact. energy: 3.176 local terms energy: -711.397226 where: bonds (distance) C4'-P energy: -132.922 bonds (distance) P-C4' energy: -153.807 flat angles C4'-P-C4' energy: -168.963 flat angles P-C4'-P energy: -92.733 tors. eta vs tors. theta energy: -162.971 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: 263 Temperature: 1.200000 Total energy: -1793.986087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.986087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.986087 (E_RNA) where: Base-Base interactions energy: -1173.306 where: short stacking energy: -523.520 Base-Backbone interact. energy: -0.687 local terms energy: -619.992487 where: bonds (distance) C4'-P energy: -127.743 bonds (distance) P-C4' energy: -146.722 flat angles C4'-P-C4' energy: -129.623 flat angles P-C4'-P energy: -84.709 tors. eta vs tors. theta energy: -131.195 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: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1457.925099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.925099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.925099 (E_RNA) where: Base-Base interactions energy: -927.939 where: short stacking energy: -392.740 Base-Backbone interact. energy: -3.914 local terms energy: -526.072067 where: bonds (distance) C4'-P energy: -110.702 bonds (distance) P-C4' energy: -132.896 flat angles C4'-P-C4' energy: -130.528 flat angles P-C4'-P energy: -91.519 tors. eta vs tors. theta energy: -60.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1084.519094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.519094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.519094 (E_RNA) where: Base-Base interactions energy: -611.797 where: short stacking energy: -284.972 Base-Backbone interact. energy: -2.538 local terms energy: -470.184180 where: bonds (distance) C4'-P energy: -112.071 bonds (distance) P-C4' energy: -129.489 flat angles C4'-P-C4' energy: -137.451 flat angles P-C4'-P energy: -79.203 tors. eta vs tors. theta energy: -11.970 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: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -733.667925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.667925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.667925 (E_RNA) where: Base-Base interactions energy: -296.163 where: short stacking energy: -202.770 Base-Backbone interact. energy: 2.069 local terms energy: -439.573639 where: bonds (distance) C4'-P energy: -140.592 bonds (distance) P-C4' energy: -121.106 flat angles C4'-P-C4' energy: -128.548 flat angles P-C4'-P energy: -52.243 tors. eta vs tors. theta energy: 2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2790.124345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.124345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.124345 (E_RNA) where: Base-Base interactions energy: -1928.959 where: short stacking energy: -838.724 Base-Backbone interact. energy: 3.017 local terms energy: -864.181991 where: bonds (distance) C4'-P energy: -144.436 bonds (distance) P-C4' energy: -169.030 flat angles C4'-P-C4' energy: -186.899 flat angles P-C4'-P energy: -117.817 tors. eta vs tors. theta energy: -246.000 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: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2671.333148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.333148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.333148 (E_RNA) where: Base-Base interactions energy: -1836.440 where: short stacking energy: -798.558 Base-Backbone interact. energy: -2.910 local terms energy: -831.983607 where: bonds (distance) C4'-P energy: -153.363 bonds (distance) P-C4' energy: -147.974 flat angles C4'-P-C4' energy: -185.836 flat angles P-C4'-P energy: -115.419 tors. eta vs tors. theta energy: -229.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2684.898976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.898976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.898976 (E_RNA) where: Base-Base interactions energy: -1805.113 where: short stacking energy: -794.584 Base-Backbone interact. energy: -5.411 local terms energy: -874.375210 where: bonds (distance) C4'-P energy: -171.622 bonds (distance) P-C4' energy: -163.703 flat angles C4'-P-C4' energy: -184.997 flat angles P-C4'-P energy: -118.441 tors. eta vs tors. theta energy: -235.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2488.513036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.513036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.513036 (E_RNA) where: Base-Base interactions energy: -1677.517 where: short stacking energy: -731.014 Base-Backbone interact. energy: -0.057 local terms energy: -810.938934 where: bonds (distance) C4'-P energy: -138.586 bonds (distance) P-C4' energy: -158.992 flat angles C4'-P-C4' energy: -168.306 flat angles P-C4'-P energy: -121.861 tors. eta vs tors. theta energy: -223.193 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: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2419.219701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.219701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.219701 (E_RNA) where: Base-Base interactions energy: -1649.438 where: short stacking energy: -685.129 Base-Backbone interact. energy: -0.094 local terms energy: -769.687780 where: bonds (distance) C4'-P energy: -142.464 bonds (distance) P-C4' energy: -154.884 flat angles C4'-P-C4' energy: -181.877 flat angles P-C4'-P energy: -93.750 tors. eta vs tors. theta energy: -196.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2138.086862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.086862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.086862 (E_RNA) where: Base-Base interactions energy: -1386.938 where: short stacking energy: -609.294 Base-Backbone interact. energy: -5.307 local terms energy: -745.841929 where: bonds (distance) C4'-P energy: -146.627 bonds (distance) P-C4' energy: -132.035 flat angles C4'-P-C4' energy: -171.028 flat angles P-C4'-P energy: -114.183 tors. eta vs tors. theta energy: -181.969 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: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1808.845583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.845583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.845583 (E_RNA) where: Base-Base interactions energy: -1184.933 where: short stacking energy: -494.749 Base-Backbone interact. energy: -2.203 local terms energy: -621.708845 where: bonds (distance) C4'-P energy: -132.341 bonds (distance) P-C4' energy: -159.324 flat angles C4'-P-C4' energy: -145.615 flat angles P-C4'-P energy: -80.145 tors. eta vs tors. theta energy: -104.283 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: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1438.105303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.105303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.105303 (E_RNA) where: Base-Base interactions energy: -906.385 where: short stacking energy: -425.606 Base-Backbone interact. energy: -1.436 local terms energy: -530.284173 where: bonds (distance) C4'-P energy: -125.533 bonds (distance) P-C4' energy: -141.024 flat angles C4'-P-C4' energy: -121.872 flat angles P-C4'-P energy: -64.943 tors. eta vs tors. theta energy: -76.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1134.049409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.049409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.049409 (E_RNA) where: Base-Base interactions energy: -652.968 where: short stacking energy: -319.255 Base-Backbone interact. energy: -3.982 local terms energy: -477.099347 where: bonds (distance) C4'-P energy: -133.409 bonds (distance) P-C4' energy: -138.020 flat angles C4'-P-C4' energy: -122.851 flat angles P-C4'-P energy: -65.120 tors. eta vs tors. theta energy: -17.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -747.262473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.262473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.262473 (E_RNA) where: Base-Base interactions energy: -321.083 where: short stacking energy: -207.654 Base-Backbone interact. energy: 6.605 local terms energy: -432.784882 where: bonds (distance) C4'-P energy: -138.379 bonds (distance) P-C4' energy: -124.086 flat angles C4'-P-C4' energy: -108.805 flat angles P-C4'-P energy: -76.596 tors. eta vs tors. theta energy: 15.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2809.982464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.982464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.982464 (E_RNA) where: Base-Base interactions energy: -1939.581 where: short stacking energy: -799.064 Base-Backbone interact. energy: -3.244 local terms energy: -867.157405 where: bonds (distance) C4'-P energy: -152.344 bonds (distance) P-C4' energy: -162.963 flat angles C4'-P-C4' energy: -184.203 flat angles P-C4'-P energy: -127.528 tors. eta vs tors. theta energy: -240.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2768.605132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.605132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.605132 (E_RNA) where: Base-Base interactions energy: -1910.996 where: short stacking energy: -832.546 Base-Backbone interact. energy: 0.394 local terms energy: -858.002278 where: bonds (distance) C4'-P energy: -158.404 bonds (distance) P-C4' energy: -166.103 flat angles C4'-P-C4' energy: -172.989 flat angles P-C4'-P energy: -116.085 tors. eta vs tors. theta energy: -244.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2571.802533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.802533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.802533 (E_RNA) where: Base-Base interactions energy: -1730.386 where: short stacking energy: -781.403 Base-Backbone interact. energy: -2.543 local terms energy: -838.873394 where: bonds (distance) C4'-P energy: -138.750 bonds (distance) P-C4' energy: -159.811 flat angles C4'-P-C4' energy: -177.413 flat angles P-C4'-P energy: -128.072 tors. eta vs tors. theta energy: -234.828 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: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2480.722753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.722753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.722753 (E_RNA) where: Base-Base interactions energy: -1674.388 where: short stacking energy: -764.769 Base-Backbone interact. energy: -2.319 local terms energy: -804.015568 where: bonds (distance) C4'-P energy: -149.694 bonds (distance) P-C4' energy: -141.884 flat angles C4'-P-C4' energy: -175.110 flat angles P-C4'-P energy: -110.194 tors. eta vs tors. theta energy: -227.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2346.058152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.058152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.058152 (E_RNA) where: Base-Base interactions energy: -1596.100 where: short stacking energy: -665.070 Base-Backbone interact. energy: -1.206 local terms energy: -748.751336 where: bonds (distance) C4'-P energy: -131.070 bonds (distance) P-C4' energy: -144.754 flat angles C4'-P-C4' energy: -170.438 flat angles P-C4'-P energy: -119.232 tors. eta vs tors. theta energy: -183.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2154.830981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.830981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.830981 (E_RNA) where: Base-Base interactions energy: -1454.960 where: short stacking energy: -611.566 Base-Backbone interact. energy: -0.283 local terms energy: -699.588635 where: bonds (distance) C4'-P energy: -133.156 bonds (distance) P-C4' energy: -156.825 flat angles C4'-P-C4' energy: -153.545 flat angles P-C4'-P energy: -95.411 tors. eta vs tors. theta energy: -160.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1808.975024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.975024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.975024 (E_RNA) where: Base-Base interactions energy: -1161.093 where: short stacking energy: -496.226 Base-Backbone interact. energy: -0.517 local terms energy: -647.365043 where: bonds (distance) C4'-P energy: -149.319 bonds (distance) P-C4' energy: -139.698 flat angles C4'-P-C4' energy: -140.539 flat angles P-C4'-P energy: -98.407 tors. eta vs tors. theta energy: -119.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1489.978023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.978023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.978023 (E_RNA) where: Base-Base interactions energy: -925.130 where: short stacking energy: -422.118 Base-Backbone interact. energy: -1.398 local terms energy: -563.449419 where: bonds (distance) C4'-P energy: -136.706 bonds (distance) P-C4' energy: -140.130 flat angles C4'-P-C4' energy: -129.099 flat angles P-C4'-P energy: -89.217 tors. eta vs tors. theta energy: -68.297 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: 9, replica: 3 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1058.131399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.131399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.131399 (E_RNA) where: Base-Base interactions energy: -603.673 where: short stacking energy: -264.480 Base-Backbone interact. energy: 1.576 local terms energy: -456.034974 where: bonds (distance) C4'-P energy: -115.991 bonds (distance) P-C4' energy: -144.661 flat angles C4'-P-C4' energy: -101.212 flat angles P-C4'-P energy: -92.910 tors. eta vs tors. theta energy: -1.262 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: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -722.444779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.444779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.444779 (E_RNA) where: Base-Base interactions energy: -320.184 where: short stacking energy: -211.570 Base-Backbone interact. energy: 6.195 local terms energy: -408.455744 where: bonds (distance) C4'-P energy: -118.300 bonds (distance) P-C4' energy: -147.462 flat angles C4'-P-C4' energy: -114.922 flat angles P-C4'-P energy: -51.117 tors. eta vs tors. theta energy: 23.346 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: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2799.659126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.659126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.659126 (E_RNA) where: Base-Base interactions energy: -1927.913 where: short stacking energy: -816.095 Base-Backbone interact. energy: 4.154 local terms energy: -875.900971 where: bonds (distance) C4'-P energy: -169.403 bonds (distance) P-C4' energy: -159.671 flat angles C4'-P-C4' energy: -194.015 flat angles P-C4'-P energy: -118.597 tors. eta vs tors. theta energy: -234.215 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: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2763.582603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.582603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.582603 (E_RNA) where: Base-Base interactions energy: -1905.646 where: short stacking energy: -828.659 Base-Backbone interact. energy: -3.827 local terms energy: -854.109525 where: bonds (distance) C4'-P energy: -151.787 bonds (distance) P-C4' energy: -153.180 flat angles C4'-P-C4' energy: -183.986 flat angles P-C4'-P energy: -119.768 tors. eta vs tors. theta energy: -245.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2625.884520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.884520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.884520 (E_RNA) where: Base-Base interactions energy: -1775.337 where: short stacking energy: -767.742 Base-Backbone interact. energy: -0.362 local terms energy: -850.185212 where: bonds (distance) C4'-P energy: -149.166 bonds (distance) P-C4' energy: -158.320 flat angles C4'-P-C4' energy: -182.983 flat angles P-C4'-P energy: -130.492 tors. eta vs tors. theta energy: -229.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2469.966358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.966358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.966358 (E_RNA) where: Base-Base interactions energy: -1654.921 where: short stacking energy: -722.431 Base-Backbone interact. energy: -4.082 local terms energy: -810.962956 where: bonds (distance) C4'-P energy: -142.283 bonds (distance) P-C4' energy: -155.670 flat angles C4'-P-C4' energy: -178.953 flat angles P-C4'-P energy: -122.193 tors. eta vs tors. theta energy: -211.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2397.121049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.121049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.121049 (E_RNA) where: Base-Base interactions energy: -1645.463 where: short stacking energy: -634.174 Base-Backbone interact. energy: -0.538 local terms energy: -751.120172 where: bonds (distance) C4'-P energy: -131.675 bonds (distance) P-C4' energy: -162.731 flat angles C4'-P-C4' energy: -148.564 flat angles P-C4'-P energy: -122.104 tors. eta vs tors. theta energy: -186.047 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: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2122.888377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.888377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.888377 (E_RNA) where: Base-Base interactions energy: -1431.848 where: short stacking energy: -625.376 Base-Backbone interact. energy: 1.867 local terms energy: -692.907391 where: bonds (distance) C4'-P energy: -119.082 bonds (distance) P-C4' energy: -159.169 flat angles C4'-P-C4' energy: -151.204 flat angles P-C4'-P energy: -91.623 tors. eta vs tors. theta energy: -171.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1801.338183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.338183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.338183 (E_RNA) where: Base-Base interactions energy: -1212.799 where: short stacking energy: -517.326 Base-Backbone interact. energy: 1.247 local terms energy: -589.786842 where: bonds (distance) C4'-P energy: -131.314 bonds (distance) P-C4' energy: -142.708 flat angles C4'-P-C4' energy: -126.435 flat angles P-C4'-P energy: -86.729 tors. eta vs tors. theta energy: -102.601 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: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1351.383621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.383621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.383621 (E_RNA) where: Base-Base interactions energy: -846.538 where: short stacking energy: -354.599 Base-Backbone interact. energy: -0.140 local terms energy: -504.705226 where: bonds (distance) C4'-P energy: -111.386 bonds (distance) P-C4' energy: -133.541 flat angles C4'-P-C4' energy: -121.155 flat angles P-C4'-P energy: -89.443 tors. eta vs tors. theta energy: -49.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -978.114205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.114205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.114205 (E_RNA) where: Base-Base interactions energy: -509.999 where: short stacking energy: -260.945 Base-Backbone interact. energy: -2.123 local terms energy: -465.992383 where: bonds (distance) C4'-P energy: -129.261 bonds (distance) P-C4' energy: -130.524 flat angles C4'-P-C4' energy: -98.405 flat angles P-C4'-P energy: -97.511 tors. eta vs tors. theta energy: -10.291 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: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -706.333735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.333735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.333735 (E_RNA) where: Base-Base interactions energy: -298.849 where: short stacking energy: -194.382 Base-Backbone interact. energy: 1.400 local terms energy: -408.884405 where: bonds (distance) C4'-P energy: -104.051 bonds (distance) P-C4' energy: -157.655 flat angles C4'-P-C4' energy: -110.556 flat angles P-C4'-P energy: -52.101 tors. eta vs tors. theta energy: 15.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2814.071876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.071876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.071876 (E_RNA) where: Base-Base interactions energy: -1919.410 where: short stacking energy: -820.721 Base-Backbone interact. energy: -0.639 local terms energy: -894.022589 where: bonds (distance) C4'-P energy: -180.448 bonds (distance) P-C4' energy: -157.589 flat angles C4'-P-C4' energy: -182.514 flat angles P-C4'-P energy: -130.869 tors. eta vs tors. theta energy: -242.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2749.303795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.303795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.303795 (E_RNA) where: Base-Base interactions energy: -1889.986 where: short stacking energy: -825.378 Base-Backbone interact. energy: -4.109 local terms energy: -855.208824 where: bonds (distance) C4'-P energy: -156.940 bonds (distance) P-C4' energy: -150.793 flat angles C4'-P-C4' energy: -189.028 flat angles P-C4'-P energy: -122.633 tors. eta vs tors. theta energy: -235.814 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: 4 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2623.810901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.810901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.810901 (E_RNA) where: Base-Base interactions energy: -1751.933 where: short stacking energy: -758.787 Base-Backbone interact. energy: -0.982 local terms energy: -870.895963 where: bonds (distance) C4'-P energy: -170.847 bonds (distance) P-C4' energy: -172.313 flat angles C4'-P-C4' energy: -182.159 flat angles P-C4'-P energy: -110.057 tors. eta vs tors. theta energy: -235.520 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: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2447.104536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.104536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.104536 (E_RNA) where: Base-Base interactions energy: -1634.022 where: short stacking energy: -754.431 Base-Backbone interact. energy: -2.314 local terms energy: -810.768251 where: bonds (distance) C4'-P energy: -155.429 bonds (distance) P-C4' energy: -158.650 flat angles C4'-P-C4' energy: -164.574 flat angles P-C4'-P energy: -113.601 tors. eta vs tors. theta energy: -218.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2410.274460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.274460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.274460 (E_RNA) where: Base-Base interactions energy: -1630.445 where: short stacking energy: -697.925 Base-Backbone interact. energy: 2.382 local terms energy: -782.211163 where: bonds (distance) C4'-P energy: -157.061 bonds (distance) P-C4' energy: -149.409 flat angles C4'-P-C4' energy: -175.043 flat angles P-C4'-P energy: -101.180 tors. eta vs tors. theta energy: -199.518 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: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2059.761449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.761449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.761449 (E_RNA) where: Base-Base interactions energy: -1389.093 where: short stacking energy: -568.709 Base-Backbone interact. energy: 1.290 local terms energy: -671.958532 where: bonds (distance) C4'-P energy: -132.107 bonds (distance) P-C4' energy: -144.057 flat angles C4'-P-C4' energy: -155.958 flat angles P-C4'-P energy: -93.061 tors. eta vs tors. theta energy: -146.775 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: 7, replica: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1795.558405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.558405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.558405 (E_RNA) where: Base-Base interactions energy: -1175.190 where: short stacking energy: -496.668 Base-Backbone interact. energy: 1.873 local terms energy: -622.240658 where: bonds (distance) C4'-P energy: -128.351 bonds (distance) P-C4' energy: -145.323 flat angles C4'-P-C4' energy: -154.908 flat angles P-C4'-P energy: -77.744 tors. eta vs tors. theta energy: -115.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1375.983511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.983511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.983511 (E_RNA) where: Base-Base interactions energy: -837.853 where: short stacking energy: -382.175 Base-Backbone interact. energy: 0.700 local terms energy: -538.830927 where: bonds (distance) C4'-P energy: -124.302 bonds (distance) P-C4' energy: -146.319 flat angles C4'-P-C4' energy: -130.051 flat angles P-C4'-P energy: -80.584 tors. eta vs tors. theta energy: -57.575 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: 9, replica: 3 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1010.883309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.883309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.883309 (E_RNA) where: Base-Base interactions energy: -511.334 where: short stacking energy: -273.630 Base-Backbone interact. energy: 1.294 local terms energy: -500.843393 where: bonds (distance) C4'-P energy: -129.949 bonds (distance) P-C4' energy: -148.696 flat angles C4'-P-C4' energy: -126.426 flat angles P-C4'-P energy: -74.656 tors. eta vs tors. theta energy: -21.117 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: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -735.966110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.966110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.966110 (E_RNA) where: Base-Base interactions energy: -296.503 where: short stacking energy: -207.201 Base-Backbone interact. energy: -1.802 local terms energy: -437.660462 where: bonds (distance) C4'-P energy: -127.580 bonds (distance) P-C4' energy: -138.747 flat angles C4'-P-C4' energy: -137.467 flat angles P-C4'-P energy: -50.638 tors. eta vs tors. theta energy: 16.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2826.214135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.214135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.214135 (E_RNA) where: Base-Base interactions energy: -1952.256 where: short stacking energy: -837.565 Base-Backbone interact. energy: 0.014 local terms energy: -873.971258 where: bonds (distance) C4'-P energy: -159.332 bonds (distance) P-C4' energy: -157.814 flat angles C4'-P-C4' energy: -173.911 flat angles P-C4'-P energy: -129.716 tors. eta vs tors. theta energy: -253.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2762.035093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.035093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.035093 (E_RNA) where: Base-Base interactions energy: -1895.417 where: short stacking energy: -785.169 Base-Backbone interact. energy: -0.520 local terms energy: -866.098150 where: bonds (distance) C4'-P energy: -163.045 bonds (distance) P-C4' energy: -167.087 flat angles C4'-P-C4' energy: -183.889 flat angles P-C4'-P energy: -120.745 tors. eta vs tors. theta energy: -231.332 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: 4 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2650.406119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.406119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.406119 (E_RNA) where: Base-Base interactions energy: -1808.596 where: short stacking energy: -771.758 Base-Backbone interact. energy: -5.103 local terms energy: -836.707388 where: bonds (distance) C4'-P energy: -139.968 bonds (distance) P-C4' energy: -159.687 flat angles C4'-P-C4' energy: -184.235 flat angles P-C4'-P energy: -112.533 tors. eta vs tors. theta energy: -240.284 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: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2454.946970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.946970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.946970 (E_RNA) where: Base-Base interactions energy: -1672.242 where: short stacking energy: -744.837 Base-Backbone interact. energy: -2.084 local terms energy: -780.621071 where: bonds (distance) C4'-P energy: -132.593 bonds (distance) P-C4' energy: -163.199 flat angles C4'-P-C4' energy: -167.392 flat angles P-C4'-P energy: -110.959 tors. eta vs tors. theta energy: -206.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2394.785248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.785248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.785248 (E_RNA) where: Base-Base interactions energy: -1642.416 where: short stacking energy: -685.466 Base-Backbone interact. energy: 0.598 local terms energy: -752.967044 where: bonds (distance) C4'-P energy: -133.884 bonds (distance) P-C4' energy: -140.531 flat angles C4'-P-C4' energy: -175.962 flat angles P-C4'-P energy: -114.337 tors. eta vs tors. theta energy: -188.254 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: 6, replica: 7 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2050.979471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.979471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.979471 (E_RNA) where: Base-Base interactions energy: -1341.379 where: short stacking energy: -573.778 Base-Backbone interact. energy: -0.259 local terms energy: -709.341687 where: bonds (distance) C4'-P energy: -143.162 bonds (distance) P-C4' energy: -153.074 flat angles C4'-P-C4' energy: -165.734 flat angles P-C4'-P energy: -95.057 tors. eta vs tors. theta energy: -152.315 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: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1759.055053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.055053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.055053 (E_RNA) where: Base-Base interactions energy: -1128.336 where: short stacking energy: -484.793 Base-Backbone interact. energy: 2.757 local terms energy: -633.476051 where: bonds (distance) C4'-P energy: -141.158 bonds (distance) P-C4' energy: -146.958 flat angles C4'-P-C4' energy: -148.111 flat angles P-C4'-P energy: -84.650 tors. eta vs tors. theta energy: -112.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1443.550437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.550437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.550437 (E_RNA) where: Base-Base interactions energy: -884.072 where: short stacking energy: -390.413 Base-Backbone interact. energy: 2.712 local terms energy: -562.190401 where: bonds (distance) C4'-P energy: -132.258 bonds (distance) P-C4' energy: -134.664 flat angles C4'-P-C4' energy: -158.782 flat angles P-C4'-P energy: -73.597 tors. eta vs tors. theta energy: -62.890 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: 3 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -960.257711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.257711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.257711 (E_RNA) where: Base-Base interactions energy: -471.540 where: short stacking energy: -262.183 Base-Backbone interact. energy: -4.679 local terms energy: -484.038934 where: bonds (distance) C4'-P energy: -129.513 bonds (distance) P-C4' energy: -150.485 flat angles C4'-P-C4' energy: -136.740 flat angles P-C4'-P energy: -62.277 tors. eta vs tors. theta energy: -5.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -696.387942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.387942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.387942 (E_RNA) where: Base-Base interactions energy: -280.650 where: short stacking energy: -177.095 Base-Backbone interact. energy: 3.616 local terms energy: -419.353603 where: bonds (distance) C4'-P energy: -128.611 bonds (distance) P-C4' energy: -135.701 flat angles C4'-P-C4' energy: -106.868 flat angles P-C4'-P energy: -86.669 tors. eta vs tors. theta energy: 38.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2830.064977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.064977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.064977 (E_RNA) where: Base-Base interactions energy: -1969.163 where: short stacking energy: -830.325 Base-Backbone interact. energy: 3.365 local terms energy: -864.266622 where: bonds (distance) C4'-P energy: -153.238 bonds (distance) P-C4' energy: -162.305 flat angles C4'-P-C4' energy: -178.233 flat angles P-C4'-P energy: -131.152 tors. eta vs tors. theta energy: -239.338 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: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2756.141523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.141523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.141523 (E_RNA) where: Base-Base interactions energy: -1905.263 where: short stacking energy: -828.548 Base-Backbone interact. energy: -1.692 local terms energy: -849.185629 where: bonds (distance) C4'-P energy: -153.594 bonds (distance) P-C4' energy: -154.764 flat angles C4'-P-C4' energy: -187.362 flat angles P-C4'-P energy: -110.091 tors. eta vs tors. theta energy: -243.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2621.065454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.065454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.065454 (E_RNA) where: Base-Base interactions energy: -1795.155 where: short stacking energy: -769.320 Base-Backbone interact. energy: -5.806 local terms energy: -820.104893 where: bonds (distance) C4'-P energy: -167.790 bonds (distance) P-C4' energy: -168.401 flat angles C4'-P-C4' energy: -161.229 flat angles P-C4'-P energy: -101.502 tors. eta vs tors. theta energy: -221.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2415.350677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.350677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.350677 (E_RNA) where: Base-Base interactions energy: -1625.836 where: short stacking energy: -739.396 Base-Backbone interact. energy: -0.134 local terms energy: -789.380874 where: bonds (distance) C4'-P energy: -142.506 bonds (distance) P-C4' energy: -157.811 flat angles C4'-P-C4' energy: -165.553 flat angles P-C4'-P energy: -112.760 tors. eta vs tors. theta energy: -210.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2367.619330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.619330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.619330 (E_RNA) where: Base-Base interactions energy: -1596.830 where: short stacking energy: -673.454 Base-Backbone interact. energy: 3.992 local terms energy: -774.781372 where: bonds (distance) C4'-P energy: -166.319 bonds (distance) P-C4' energy: -141.797 flat angles C4'-P-C4' energy: -170.706 flat angles P-C4'-P energy: -109.043 tors. eta vs tors. theta energy: -186.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2060.991571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.991571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.991571 (E_RNA) where: Base-Base interactions energy: -1399.632 where: short stacking energy: -591.924 Base-Backbone interact. energy: 2.990 local terms energy: -664.349174 where: bonds (distance) C4'-P energy: -141.401 bonds (distance) P-C4' energy: -130.127 flat angles C4'-P-C4' energy: -136.956 flat angles P-C4'-P energy: -89.596 tors. eta vs tors. theta energy: -166.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1815.305616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.305616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.305616 (E_RNA) where: Base-Base interactions energy: -1208.141 where: short stacking energy: -525.855 Base-Backbone interact. energy: -4.240 local terms energy: -602.924625 where: bonds (distance) C4'-P energy: -123.935 bonds (distance) P-C4' energy: -139.212 flat angles C4'-P-C4' energy: -134.066 flat angles P-C4'-P energy: -80.659 tors. eta vs tors. theta energy: -125.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1432.127553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.127553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.127553 (E_RNA) where: Base-Base interactions energy: -896.525 where: short stacking energy: -411.641 Base-Backbone interact. energy: -1.544 local terms energy: -534.058564 where: bonds (distance) C4'-P energy: -130.638 bonds (distance) P-C4' energy: -135.741 flat angles C4'-P-C4' energy: -120.384 flat angles P-C4'-P energy: -79.152 tors. eta vs tors. theta energy: -68.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -916.141335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.141335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.141335 (E_RNA) where: Base-Base interactions energy: -454.547 where: short stacking energy: -282.804 Base-Backbone interact. energy: -4.933 local terms energy: -456.660913 where: bonds (distance) C4'-P energy: -136.508 bonds (distance) P-C4' energy: -141.006 flat angles C4'-P-C4' energy: -116.601 flat angles P-C4'-P energy: -46.652 tors. eta vs tors. theta energy: -15.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -781.951376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.951376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.951376 (E_RNA) where: Base-Base interactions energy: -323.428 where: short stacking energy: -222.299 Base-Backbone interact. energy: -3.788 local terms energy: -454.735707 where: bonds (distance) C4'-P energy: -125.404 bonds (distance) P-C4' energy: -137.821 flat angles C4'-P-C4' energy: -130.529 flat angles P-C4'-P energy: -68.299 tors. eta vs tors. theta energy: 7.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2833.473821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.473821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.473821 (E_RNA) where: Base-Base interactions energy: -1962.467 where: short stacking energy: -824.742 Base-Backbone interact. energy: 0.209 local terms energy: -871.215708 where: bonds (distance) C4'-P energy: -166.754 bonds (distance) P-C4' energy: -177.505 flat angles C4'-P-C4' energy: -174.153 flat angles P-C4'-P energy: -120.770 tors. eta vs tors. theta energy: -232.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2766.094438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.094438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.094438 (E_RNA) where: Base-Base interactions energy: -1859.636 where: short stacking energy: -822.586 Base-Backbone interact. energy: -4.249 local terms energy: -902.209327 where: bonds (distance) C4'-P energy: -157.494 bonds (distance) P-C4' energy: -171.561 flat angles C4'-P-C4' energy: -201.572 flat angles P-C4'-P energy: -128.457 tors. eta vs tors. theta energy: -243.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2660.776006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.776006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.776006 (E_RNA) where: Base-Base interactions energy: -1807.739 where: short stacking energy: -788.571 Base-Backbone interact. energy: 1.601 local terms energy: -854.638275 where: bonds (distance) C4'-P energy: -140.494 bonds (distance) P-C4' energy: -154.226 flat angles C4'-P-C4' energy: -196.514 flat angles P-C4'-P energy: -119.486 tors. eta vs tors. theta energy: -243.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2467.992318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.992318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.992318 (E_RNA) where: Base-Base interactions energy: -1625.089 where: short stacking energy: -763.985 Base-Backbone interact. energy: -3.712 local terms energy: -839.191422 where: bonds (distance) C4'-P energy: -140.196 bonds (distance) P-C4' energy: -164.022 flat angles C4'-P-C4' energy: -176.021 flat angles P-C4'-P energy: -117.864 tors. eta vs tors. theta energy: -241.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2327.515428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.515428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.515428 (E_RNA) where: Base-Base interactions energy: -1587.405 where: short stacking energy: -680.603 Base-Backbone interact. energy: -2.138 local terms energy: -737.971787 where: bonds (distance) C4'-P energy: -129.100 bonds (distance) P-C4' energy: -154.674 flat angles C4'-P-C4' energy: -165.638 flat angles P-C4'-P energy: -110.173 tors. eta vs tors. theta energy: -178.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2064.386513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.386513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.386513 (E_RNA) where: Base-Base interactions energy: -1374.978 where: short stacking energy: -591.826 Base-Backbone interact. energy: 3.383 local terms energy: -692.791326 where: bonds (distance) C4'-P energy: -159.956 bonds (distance) P-C4' energy: -136.838 flat angles C4'-P-C4' energy: -148.086 flat angles P-C4'-P energy: -92.622 tors. eta vs tors. theta energy: -155.290 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: 7, replica: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1829.710900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.710900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.710900 (E_RNA) where: Base-Base interactions energy: -1202.091 where: short stacking energy: -527.496 Base-Backbone interact. energy: -0.010 local terms energy: -627.609760 where: bonds (distance) C4'-P energy: -136.830 bonds (distance) P-C4' energy: -115.146 flat angles C4'-P-C4' energy: -137.359 flat angles P-C4'-P energy: -111.359 tors. eta vs tors. theta energy: -126.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1470.857129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.857129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.857129 (E_RNA) where: Base-Base interactions energy: -925.680 where: short stacking energy: -414.292 Base-Backbone interact. energy: -4.515 local terms energy: -540.661912 where: bonds (distance) C4'-P energy: -115.935 bonds (distance) P-C4' energy: -144.307 flat angles C4'-P-C4' energy: -130.818 flat angles P-C4'-P energy: -81.471 tors. eta vs tors. theta energy: -68.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -924.710300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.710300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.710300 (E_RNA) where: Base-Base interactions energy: -451.819 where: short stacking energy: -270.394 Base-Backbone interact. energy: 3.361 local terms energy: -476.252711 where: bonds (distance) C4'-P energy: -112.741 bonds (distance) P-C4' energy: -159.129 flat angles C4'-P-C4' energy: -130.378 flat angles P-C4'-P energy: -80.019 tors. eta vs tors. theta energy: 6.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -727.596649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.596649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.596649 (E_RNA) where: Base-Base interactions energy: -331.169 where: short stacking energy: -223.442 Base-Backbone interact. energy: -3.574 local terms energy: -392.854201 where: bonds (distance) C4'-P energy: -108.655 bonds (distance) P-C4' energy: -151.902 flat angles C4'-P-C4' energy: -85.717 flat angles P-C4'-P energy: -61.774 tors. eta vs tors. theta energy: 15.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2821.435354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.435354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.435354 (E_RNA) where: Base-Base interactions energy: -1949.744 where: short stacking energy: -832.246 Base-Backbone interact. energy: -2.092 local terms energy: -869.600303 where: bonds (distance) C4'-P energy: -154.476 bonds (distance) P-C4' energy: -171.190 flat angles C4'-P-C4' energy: -177.962 flat angles P-C4'-P energy: -130.304 tors. eta vs tors. theta energy: -235.669 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: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2774.814372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.814372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.814372 (E_RNA) where: Base-Base interactions energy: -1906.855 where: short stacking energy: -834.200 Base-Backbone interact. energy: -4.065 local terms energy: -863.894740 where: bonds (distance) C4'-P energy: -157.905 bonds (distance) P-C4' energy: -153.575 flat angles C4'-P-C4' energy: -194.260 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -232.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2679.168934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.168934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.168934 (E_RNA) where: Base-Base interactions energy: -1852.225 where: short stacking energy: -787.604 Base-Backbone interact. energy: -1.127 local terms energy: -825.816418 where: bonds (distance) C4'-P energy: -153.662 bonds (distance) P-C4' energy: -150.733 flat angles C4'-P-C4' energy: -176.663 flat angles P-C4'-P energy: -109.925 tors. eta vs tors. theta energy: -234.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2474.532112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.532112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.532112 (E_RNA) where: Base-Base interactions energy: -1655.156 where: short stacking energy: -788.717 Base-Backbone interact. energy: -3.703 local terms energy: -815.673098 where: bonds (distance) C4'-P energy: -137.515 bonds (distance) P-C4' energy: -152.227 flat angles C4'-P-C4' energy: -183.922 flat angles P-C4'-P energy: -116.193 tors. eta vs tors. theta energy: -225.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2322.453142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.453142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.453142 (E_RNA) where: Base-Base interactions energy: -1591.242 where: short stacking energy: -690.623 Base-Backbone interact. energy: -2.572 local terms energy: -728.638627 where: bonds (distance) C4'-P energy: -110.156 bonds (distance) P-C4' energy: -133.480 flat angles C4'-P-C4' energy: -162.762 flat angles P-C4'-P energy: -113.563 tors. eta vs tors. theta energy: -208.678 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: 271 Temperature: 1.150000 Total energy: -2033.114825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.114825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.114825 (E_RNA) where: Base-Base interactions energy: -1346.022 where: short stacking energy: -563.826 Base-Backbone interact. energy: 1.729 local terms energy: -688.822039 where: bonds (distance) C4'-P energy: -145.947 bonds (distance) P-C4' energy: -145.789 flat angles C4'-P-C4' energy: -159.794 flat angles P-C4'-P energy: -94.231 tors. eta vs tors. theta energy: -143.061 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: 8 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1856.576793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.576793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.576793 (E_RNA) where: Base-Base interactions energy: -1208.094 where: short stacking energy: -505.137 Base-Backbone interact. energy: 2.166 local terms energy: -650.648532 where: bonds (distance) C4'-P energy: -138.026 bonds (distance) P-C4' energy: -136.149 flat angles C4'-P-C4' energy: -158.373 flat angles P-C4'-P energy: -89.767 tors. eta vs tors. theta energy: -128.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1511.759129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.759129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.759129 (E_RNA) where: Base-Base interactions energy: -977.661 where: short stacking energy: -454.288 Base-Backbone interact. energy: 4.426 local terms energy: -538.524465 where: bonds (distance) C4'-P energy: -119.678 bonds (distance) P-C4' energy: -145.709 flat angles C4'-P-C4' energy: -126.295 flat angles P-C4'-P energy: -78.116 tors. eta vs tors. theta energy: -68.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -940.016559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.016559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.016559 (E_RNA) where: Base-Base interactions energy: -446.763 where: short stacking energy: -280.128 Base-Backbone interact. energy: -0.299 local terms energy: -492.954816 where: bonds (distance) C4'-P energy: -116.439 bonds (distance) P-C4' energy: -139.362 flat angles C4'-P-C4' energy: -124.003 flat angles P-C4'-P energy: -87.289 tors. eta vs tors. theta energy: -25.862 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: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -687.102739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.102739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.102739 (E_RNA) where: Base-Base interactions energy: -274.048 where: short stacking energy: -167.629 Base-Backbone interact. energy: -0.347 local terms energy: -412.708459 where: bonds (distance) C4'-P energy: -131.623 bonds (distance) P-C4' energy: -137.774 flat angles C4'-P-C4' energy: -109.008 flat angles P-C4'-P energy: -75.405 tors. eta vs tors. theta energy: 41.101 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: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2813.458322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.458322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.458322 (E_RNA) where: Base-Base interactions energy: -1912.387 where: short stacking energy: -809.648 Base-Backbone interact. energy: 0.644 local terms energy: -901.715986 where: bonds (distance) C4'-P energy: -151.594 bonds (distance) P-C4' energy: -174.478 flat angles C4'-P-C4' energy: -197.783 flat angles P-C4'-P energy: -132.508 tors. eta vs tors. theta energy: -245.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2782.449634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.449634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.449634 (E_RNA) where: Base-Base interactions energy: -1913.046 where: short stacking energy: -803.481 Base-Backbone interact. energy: -4.870 local terms energy: -864.534500 where: bonds (distance) C4'-P energy: -155.814 bonds (distance) P-C4' energy: -166.194 flat angles C4'-P-C4' energy: -198.266 flat angles P-C4'-P energy: -113.584 tors. eta vs tors. theta energy: -230.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2679.184637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.184637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.184637 (E_RNA) where: Base-Base interactions energy: -1844.836 where: short stacking energy: -794.927 Base-Backbone interact. energy: -3.323 local terms energy: -831.025283 where: bonds (distance) C4'-P energy: -157.609 bonds (distance) P-C4' energy: -160.823 flat angles C4'-P-C4' energy: -174.949 flat angles P-C4'-P energy: -107.653 tors. eta vs tors. theta energy: -229.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2495.150227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.150227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.150227 (E_RNA) where: Base-Base interactions energy: -1659.440 where: short stacking energy: -735.819 Base-Backbone interact. energy: -5.862 local terms energy: -829.848452 where: bonds (distance) C4'-P energy: -154.634 bonds (distance) P-C4' energy: -164.098 flat angles C4'-P-C4' energy: -167.231 flat angles P-C4'-P energy: -104.494 tors. eta vs tors. theta energy: -239.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2360.797324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.797324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.797324 (E_RNA) where: Base-Base interactions energy: -1627.340 where: short stacking energy: -679.285 Base-Backbone interact. energy: 1.967 local terms energy: -735.424988 where: bonds (distance) C4'-P energy: -139.370 bonds (distance) P-C4' energy: -156.213 flat angles C4'-P-C4' energy: -156.787 flat angles P-C4'-P energy: -97.579 tors. eta vs tors. theta energy: -185.476 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: 7 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2075.392393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.392393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.392393 (E_RNA) where: Base-Base interactions energy: -1402.872 where: short stacking energy: -638.651 Base-Backbone interact. energy: -4.581 local terms energy: -667.939841 where: bonds (distance) C4'-P energy: -135.202 bonds (distance) P-C4' energy: -137.669 flat angles C4'-P-C4' energy: -150.568 flat angles P-C4'-P energy: -89.633 tors. eta vs tors. theta energy: -154.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1859.389823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.389823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.389823 (E_RNA) where: Base-Base interactions energy: -1198.908 where: short stacking energy: -503.110 Base-Backbone interact. energy: -3.157 local terms energy: -657.324459 where: bonds (distance) C4'-P energy: -141.406 bonds (distance) P-C4' energy: -144.877 flat angles C4'-P-C4' energy: -157.597 flat angles P-C4'-P energy: -94.787 tors. eta vs tors. theta energy: -118.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1445.862899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.862899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.862899 (E_RNA) where: Base-Base interactions energy: -880.570 where: short stacking energy: -438.420 Base-Backbone interact. energy: 0.325 local terms energy: -565.617963 where: bonds (distance) C4'-P energy: -143.739 bonds (distance) P-C4' energy: -133.518 flat angles C4'-P-C4' energy: -126.960 flat angles P-C4'-P energy: -80.852 tors. eta vs tors. theta energy: -80.549 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: 9, replica: 3 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -931.693630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.693630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.693630 (E_RNA) where: Base-Base interactions energy: -497.476 where: short stacking energy: -274.438 Base-Backbone interact. energy: 4.542 local terms energy: -438.759114 where: bonds (distance) C4'-P energy: -127.829 bonds (distance) P-C4' energy: -147.810 flat angles C4'-P-C4' energy: -119.946 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: 4.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -703.539557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.539557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.539557 (E_RNA) where: Base-Base interactions energy: -312.469 where: short stacking energy: -205.064 Base-Backbone interact. energy: 12.175 local terms energy: -403.245900 where: bonds (distance) C4'-P energy: -117.641 bonds (distance) P-C4' energy: -110.252 flat angles C4'-P-C4' energy: -107.722 flat angles P-C4'-P energy: -73.399 tors. eta vs tors. theta energy: 5.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2829.483982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.483982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.483982 (E_RNA) where: Base-Base interactions energy: -1935.699 where: short stacking energy: -826.408 Base-Backbone interact. energy: -2.563 local terms energy: -891.222118 where: bonds (distance) C4'-P energy: -164.887 bonds (distance) P-C4' energy: -167.012 flat angles C4'-P-C4' energy: -187.333 flat angles P-C4'-P energy: -129.606 tors. eta vs tors. theta energy: -242.385 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: 273 Temperature: 0.950000 Total energy: -2733.906865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.906865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.906865 (E_RNA) where: Base-Base interactions energy: -1876.662 where: short stacking energy: -796.308 Base-Backbone interact. energy: -4.073 local terms energy: -853.171513 where: bonds (distance) C4'-P energy: -163.654 bonds (distance) P-C4' energy: -158.764 flat angles C4'-P-C4' energy: -182.223 flat angles P-C4'-P energy: -115.461 tors. eta vs tors. theta energy: -233.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2668.415210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.415210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.415210 (E_RNA) where: Base-Base interactions energy: -1820.260 where: short stacking energy: -756.419 Base-Backbone interact. energy: -1.991 local terms energy: -846.164458 where: bonds (distance) C4'-P energy: -155.350 bonds (distance) P-C4' energy: -167.810 flat angles C4'-P-C4' energy: -176.404 flat angles P-C4'-P energy: -124.698 tors. eta vs tors. theta energy: -221.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2415.503852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.503852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.503852 (E_RNA) where: Base-Base interactions energy: -1600.056 where: short stacking energy: -723.744 Base-Backbone interact. energy: 0.498 local terms energy: -815.946529 where: bonds (distance) C4'-P energy: -156.572 bonds (distance) P-C4' energy: -155.904 flat angles C4'-P-C4' energy: -181.384 flat angles P-C4'-P energy: -113.298 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: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2312.931006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.931006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.931006 (E_RNA) where: Base-Base interactions energy: -1555.463 where: short stacking energy: -678.490 Base-Backbone interact. energy: -1.074 local terms energy: -756.393646 where: bonds (distance) C4'-P energy: -144.993 bonds (distance) P-C4' energy: -152.212 flat angles C4'-P-C4' energy: -169.465 flat angles P-C4'-P energy: -104.133 tors. eta vs tors. theta energy: -185.591 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: 7 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2081.463012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.463012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.463012 (E_RNA) where: Base-Base interactions energy: -1412.247 where: short stacking energy: -611.678 Base-Backbone interact. energy: 0.483 local terms energy: -669.699692 where: bonds (distance) C4'-P energy: -142.598 bonds (distance) P-C4' energy: -146.880 flat angles C4'-P-C4' energy: -136.025 flat angles P-C4'-P energy: -80.043 tors. eta vs tors. theta energy: -164.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1907.748517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.748517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.748517 (E_RNA) where: Base-Base interactions energy: -1250.860 where: short stacking energy: -551.984 Base-Backbone interact. energy: 1.880 local terms energy: -658.769196 where: bonds (distance) C4'-P energy: -141.495 bonds (distance) P-C4' energy: -141.626 flat angles C4'-P-C4' energy: -153.355 flat angles P-C4'-P energy: -96.031 tors. eta vs tors. theta energy: -126.262 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: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1498.714189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.714189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.714189 (E_RNA) where: Base-Base interactions energy: -904.320 where: short stacking energy: -407.236 Base-Backbone interact. energy: -3.916 local terms energy: -590.478411 where: bonds (distance) C4'-P energy: -145.270 bonds (distance) P-C4' energy: -144.449 flat angles C4'-P-C4' energy: -154.237 flat angles P-C4'-P energy: -79.079 tors. eta vs tors. theta energy: -67.444 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: 3 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -962.666743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.666743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.666743 (E_RNA) where: Base-Base interactions energy: -520.953 where: short stacking energy: -289.421 Base-Backbone interact. energy: 3.028 local terms energy: -444.741491 where: bonds (distance) C4'-P energy: -136.544 bonds (distance) P-C4' energy: -123.746 flat angles C4'-P-C4' energy: -129.143 flat angles P-C4'-P energy: -49.521 tors. eta vs tors. theta energy: -5.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -728.378211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.378211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.378211 (E_RNA) where: Base-Base interactions energy: -287.730 where: short stacking energy: -197.558 Base-Backbone interact. energy: 10.792 local terms energy: -451.440583 where: bonds (distance) C4'-P energy: -136.296 bonds (distance) P-C4' energy: -144.195 flat angles C4'-P-C4' energy: -112.212 flat angles P-C4'-P energy: -82.866 tors. eta vs tors. theta energy: 24.128 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: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2842.138817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.138817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.138817 (E_RNA) where: Base-Base interactions energy: -1962.397 where: short stacking energy: -833.819 Base-Backbone interact. energy: -2.562 local terms energy: -877.180165 where: bonds (distance) C4'-P energy: -155.388 bonds (distance) P-C4' energy: -161.860 flat angles C4'-P-C4' energy: -188.928 flat angles P-C4'-P energy: -130.006 tors. eta vs tors. theta energy: -240.998 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: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2726.507336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.507336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.507336 (E_RNA) where: Base-Base interactions energy: -1891.122 where: short stacking energy: -805.499 Base-Backbone interact. energy: -4.429 local terms energy: -830.956051 where: bonds (distance) C4'-P energy: -144.008 bonds (distance) P-C4' energy: -159.746 flat angles C4'-P-C4' energy: -187.833 flat angles P-C4'-P energy: -116.805 tors. eta vs tors. theta energy: -222.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2720.996869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.996869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.996869 (E_RNA) where: Base-Base interactions energy: -1860.651 where: short stacking energy: -784.017 Base-Backbone interact. energy: 0.641 local terms energy: -860.986774 where: bonds (distance) C4'-P energy: -160.383 bonds (distance) P-C4' energy: -155.938 flat angles C4'-P-C4' energy: -183.159 flat angles P-C4'-P energy: -119.021 tors. eta vs tors. theta energy: -242.485 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: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2439.265134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.265134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.265134 (E_RNA) where: Base-Base interactions energy: -1618.020 where: short stacking energy: -715.269 Base-Backbone interact. energy: -0.876 local terms energy: -820.368428 where: bonds (distance) C4'-P energy: -163.739 bonds (distance) P-C4' energy: -143.058 flat angles C4'-P-C4' energy: -172.585 flat angles P-C4'-P energy: -126.539 tors. eta vs tors. theta energy: -214.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2348.953154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.953154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.953154 (E_RNA) where: Base-Base interactions energy: -1559.729 where: short stacking energy: -668.784 Base-Backbone interact. energy: -1.941 local terms energy: -787.282973 where: bonds (distance) C4'-P energy: -158.915 bonds (distance) P-C4' energy: -168.599 flat angles C4'-P-C4' energy: -173.176 flat angles P-C4'-P energy: -98.395 tors. eta vs tors. theta energy: -188.198 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: 6, replica: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2045.000992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.000992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.000992 (E_RNA) where: Base-Base interactions energy: -1365.752 where: short stacking energy: -579.766 Base-Backbone interact. energy: -2.331 local terms energy: -676.918869 where: bonds (distance) C4'-P energy: -150.541 bonds (distance) P-C4' energy: -149.808 flat angles C4'-P-C4' energy: -151.125 flat angles P-C4'-P energy: -92.046 tors. eta vs tors. theta energy: -133.400 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: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1870.513549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.513549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.513549 (E_RNA) where: Base-Base interactions energy: -1240.086 where: short stacking energy: -528.355 Base-Backbone interact. energy: -2.025 local terms energy: -628.403070 where: bonds (distance) C4'-P energy: -128.635 bonds (distance) P-C4' energy: -125.532 flat angles C4'-P-C4' energy: -155.284 flat angles P-C4'-P energy: -91.406 tors. eta vs tors. theta energy: -127.546 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: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1436.968847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.968847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.968847 (E_RNA) where: Base-Base interactions energy: -874.300 where: short stacking energy: -401.209 Base-Backbone interact. energy: -2.201 local terms energy: -560.467773 where: bonds (distance) C4'-P energy: -128.633 bonds (distance) P-C4' energy: -141.057 flat angles C4'-P-C4' energy: -133.906 flat angles P-C4'-P energy: -83.394 tors. eta vs tors. theta energy: -73.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -986.409832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.409832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.409832 (E_RNA) where: Base-Base interactions energy: -512.941 where: short stacking energy: -276.036 Base-Backbone interact. energy: 3.085 local terms energy: -476.554024 where: bonds (distance) C4'-P energy: -116.323 bonds (distance) P-C4' energy: -134.576 flat angles C4'-P-C4' energy: -124.312 flat angles P-C4'-P energy: -76.787 tors. eta vs tors. theta energy: -24.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -780.474165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.474165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.474165 (E_RNA) where: Base-Base interactions energy: -357.289 where: short stacking energy: -210.413 Base-Backbone interact. energy: 2.291 local terms energy: -425.476485 where: bonds (distance) C4'-P energy: -126.978 bonds (distance) P-C4' energy: -124.079 flat angles C4'-P-C4' energy: -114.769 flat angles P-C4'-P energy: -60.838 tors. eta vs tors. theta energy: 1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2831.257925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.257925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.257925 (E_RNA) where: Base-Base interactions energy: -1924.551 where: short stacking energy: -840.514 Base-Backbone interact. energy: -1.778 local terms energy: -904.928938 where: bonds (distance) C4'-P energy: -182.034 bonds (distance) P-C4' energy: -157.873 flat angles C4'-P-C4' energy: -193.953 flat angles P-C4'-P energy: -127.966 tors. eta vs tors. theta energy: -243.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2789.070429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.070429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.070429 (E_RNA) where: Base-Base interactions energy: -1921.355 where: short stacking energy: -812.261 Base-Backbone interact. energy: -4.512 local terms energy: -863.202996 where: bonds (distance) C4'-P energy: -154.722 bonds (distance) P-C4' energy: -162.721 flat angles C4'-P-C4' energy: -187.109 flat angles P-C4'-P energy: -132.393 tors. eta vs tors. theta energy: -226.257 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: 3, replica: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2624.128638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.128638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.128638 (E_RNA) where: Base-Base interactions energy: -1831.149 where: short stacking energy: -780.061 Base-Backbone interact. energy: -1.722 local terms energy: -791.257700 where: bonds (distance) C4'-P energy: -160.268 bonds (distance) P-C4' energy: -134.783 flat angles C4'-P-C4' energy: -168.831 flat angles P-C4'-P energy: -109.289 tors. eta vs tors. theta energy: -218.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2472.110403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.110403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.110403 (E_RNA) where: Base-Base interactions energy: -1659.570 where: short stacking energy: -708.484 Base-Backbone interact. energy: -2.205 local terms energy: -810.335311 where: bonds (distance) C4'-P energy: -156.568 bonds (distance) P-C4' energy: -158.554 flat angles C4'-P-C4' energy: -171.601 flat angles P-C4'-P energy: -120.075 tors. eta vs tors. theta energy: -203.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2344.867653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.867653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.867653 (E_RNA) where: Base-Base interactions energy: -1590.327 where: short stacking energy: -673.466 Base-Backbone interact. energy: 0.097 local terms energy: -754.637021 where: bonds (distance) C4'-P energy: -138.096 bonds (distance) P-C4' energy: -140.276 flat angles C4'-P-C4' energy: -179.537 flat angles P-C4'-P energy: -109.648 tors. eta vs tors. theta energy: -187.080 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: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1899.839739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.839739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.839739 (E_RNA) where: Base-Base interactions energy: -1238.274 where: short stacking energy: -533.993 Base-Backbone interact. energy: 3.917 local terms energy: -665.483091 where: bonds (distance) C4'-P energy: -148.286 bonds (distance) P-C4' energy: -146.145 flat angles C4'-P-C4' energy: -168.869 flat angles P-C4'-P energy: -86.166 tors. eta vs tors. theta energy: -116.017 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: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1873.019199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.019199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.019199 (E_RNA) where: Base-Base interactions energy: -1213.135 where: short stacking energy: -530.913 Base-Backbone interact. energy: 3.082 local terms energy: -662.965984 where: bonds (distance) C4'-P energy: -138.510 bonds (distance) P-C4' energy: -152.593 flat angles C4'-P-C4' energy: -140.629 flat angles P-C4'-P energy: -92.636 tors. eta vs tors. theta energy: -138.598 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: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1360.333725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.333725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.333725 (E_RNA) where: Base-Base interactions energy: -822.353 where: short stacking energy: -405.215 Base-Backbone interact. energy: 2.362 local terms energy: -540.342107 where: bonds (distance) C4'-P energy: -104.493 bonds (distance) P-C4' energy: -149.295 flat angles C4'-P-C4' energy: -136.940 flat angles P-C4'-P energy: -90.797 tors. eta vs tors. theta energy: -58.817 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: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -948.315978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.315978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.315978 (E_RNA) where: Base-Base interactions energy: -466.923 where: short stacking energy: -272.159 Base-Backbone interact. energy: -0.799 local terms energy: -480.593233 where: bonds (distance) C4'-P energy: -138.192 bonds (distance) P-C4' energy: -129.416 flat angles C4'-P-C4' energy: -123.031 flat angles P-C4'-P energy: -81.130 tors. eta vs tors. theta energy: -8.824 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: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -767.108577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.108577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.108577 (E_RNA) where: Base-Base interactions energy: -345.758 where: short stacking energy: -218.304 Base-Backbone interact. energy: 1.835 local terms energy: -423.185703 where: bonds (distance) C4'-P energy: -147.202 bonds (distance) P-C4' energy: -128.495 flat angles C4'-P-C4' energy: -104.765 flat angles P-C4'-P energy: -60.726 tors. eta vs tors. theta energy: 18.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2850.533752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.533752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.533752 (E_RNA) where: Base-Base interactions energy: -1959.834 where: short stacking energy: -855.596 Base-Backbone interact. energy: -2.251 local terms energy: -888.448075 where: bonds (distance) C4'-P energy: -157.172 bonds (distance) P-C4' energy: -159.024 flat angles C4'-P-C4' energy: -196.126 flat angles P-C4'-P energy: -122.641 tors. eta vs tors. theta energy: -253.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2771.091177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.091177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.091177 (E_RNA) where: Base-Base interactions energy: -1911.006 where: short stacking energy: -778.623 Base-Backbone interact. energy: -2.585 local terms energy: -857.500294 where: bonds (distance) C4'-P energy: -168.208 bonds (distance) P-C4' energy: -155.982 flat angles C4'-P-C4' energy: -181.717 flat angles P-C4'-P energy: -126.854 tors. eta vs tors. theta energy: -224.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2659.148818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.148818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.148818 (E_RNA) where: Base-Base interactions energy: -1830.345 where: short stacking energy: -740.308 Base-Backbone interact. energy: -2.781 local terms energy: -826.023302 where: bonds (distance) C4'-P energy: -174.838 bonds (distance) P-C4' energy: -163.775 flat angles C4'-P-C4' energy: -175.175 flat angles P-C4'-P energy: -102.937 tors. eta vs tors. theta energy: -209.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2456.415366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.415366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.415366 (E_RNA) where: Base-Base interactions energy: -1645.361 where: short stacking energy: -740.206 Base-Backbone interact. energy: -0.627 local terms energy: -810.427064 where: bonds (distance) C4'-P energy: -157.273 bonds (distance) P-C4' energy: -155.693 flat angles C4'-P-C4' energy: -170.513 flat angles P-C4'-P energy: -105.943 tors. eta vs tors. theta energy: -221.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2382.980633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.980633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.980633 (E_RNA) where: Base-Base interactions energy: -1616.992 where: short stacking energy: -703.670 Base-Backbone interact. energy: -6.231 local terms energy: -759.757526 where: bonds (distance) C4'-P energy: -125.860 bonds (distance) P-C4' energy: -143.378 flat angles C4'-P-C4' energy: -169.549 flat angles P-C4'-P energy: -115.470 tors. eta vs tors. theta energy: -205.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1927.402609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.402609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.402609 (E_RNA) where: Base-Base interactions energy: -1264.166 where: short stacking energy: -547.651 Base-Backbone interact. energy: 0.266 local terms energy: -663.503125 where: bonds (distance) C4'-P energy: -133.216 bonds (distance) P-C4' energy: -143.702 flat angles C4'-P-C4' energy: -158.591 flat angles P-C4'-P energy: -76.141 tors. eta vs tors. theta energy: -151.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1872.898588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.898588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.898588 (E_RNA) where: Base-Base interactions energy: -1242.811 where: short stacking energy: -547.534 Base-Backbone interact. energy: -4.561 local terms energy: -625.526395 where: bonds (distance) C4'-P energy: -137.293 bonds (distance) P-C4' energy: -124.639 flat angles C4'-P-C4' energy: -156.239 flat angles P-C4'-P energy: -90.329 tors. eta vs tors. theta energy: -117.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1394.243614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.243614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.243614 (E_RNA) where: Base-Base interactions energy: -912.868 where: short stacking energy: -417.463 Base-Backbone interact. energy: 4.325 local terms energy: -485.700942 where: bonds (distance) C4'-P energy: -117.505 bonds (distance) P-C4' energy: -121.957 flat angles C4'-P-C4' energy: -120.776 flat angles P-C4'-P energy: -79.256 tors. eta vs tors. theta energy: -46.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -984.833367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.833367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.833367 (E_RNA) where: Base-Base interactions energy: -508.549 where: short stacking energy: -274.429 Base-Backbone interact. energy: 3.864 local terms energy: -480.148680 where: bonds (distance) C4'-P energy: -137.045 bonds (distance) P-C4' energy: -128.222 flat angles C4'-P-C4' energy: -133.918 flat angles P-C4'-P energy: -78.441 tors. eta vs tors. theta energy: -2.524 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: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -733.846591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.846591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.846591 (E_RNA) where: Base-Base interactions energy: -280.024 where: short stacking energy: -192.584 Base-Backbone interact. energy: 1.964 local terms energy: -455.786656 where: bonds (distance) C4'-P energy: -130.750 bonds (distance) P-C4' energy: -142.219 flat angles C4'-P-C4' energy: -110.767 flat angles P-C4'-P energy: -92.855 tors. eta vs tors. theta energy: 20.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2855.913348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.913348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.913348 (E_RNA) where: Base-Base interactions energy: -1981.586 where: short stacking energy: -865.813 Base-Backbone interact. energy: -2.862 local terms energy: -871.465264 where: bonds (distance) C4'-P energy: -152.814 bonds (distance) P-C4' energy: -153.509 flat angles C4'-P-C4' energy: -189.718 flat angles P-C4'-P energy: -127.029 tors. eta vs tors. theta energy: -248.395 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: 4 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2761.137619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.137619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.137619 (E_RNA) where: Base-Base interactions energy: -1898.768 where: short stacking energy: -779.041 Base-Backbone interact. energy: -1.364 local terms energy: -861.005986 where: bonds (distance) C4'-P energy: -168.391 bonds (distance) P-C4' energy: -147.784 flat angles C4'-P-C4' energy: -187.699 flat angles P-C4'-P energy: -132.130 tors. eta vs tors. theta energy: -225.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2649.821964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.821964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.821964 (E_RNA) where: Base-Base interactions energy: -1780.803 where: short stacking energy: -760.467 Base-Backbone interact. energy: -1.386 local terms energy: -867.633487 where: bonds (distance) C4'-P energy: -181.320 bonds (distance) P-C4' energy: -162.924 flat angles C4'-P-C4' energy: -181.862 flat angles P-C4'-P energy: -117.581 tors. eta vs tors. theta energy: -223.947 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: 9 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2508.675401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.675401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.675401 (E_RNA) where: Base-Base interactions energy: -1696.104 where: short stacking energy: -752.934 Base-Backbone interact. energy: -3.726 local terms energy: -808.844965 where: bonds (distance) C4'-P energy: -147.852 bonds (distance) P-C4' energy: -159.959 flat angles C4'-P-C4' energy: -167.197 flat angles P-C4'-P energy: -116.376 tors. eta vs tors. theta energy: -217.461 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: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2330.171890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.171890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.171890 (E_RNA) where: Base-Base interactions energy: -1569.404 where: short stacking energy: -682.795 Base-Backbone interact. energy: -1.107 local terms energy: -759.660873 where: bonds (distance) C4'-P energy: -149.196 bonds (distance) P-C4' energy: -142.574 flat angles C4'-P-C4' energy: -166.486 flat angles P-C4'-P energy: -107.712 tors. eta vs tors. theta energy: -193.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1982.070312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.070312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.070312 (E_RNA) where: Base-Base interactions energy: -1265.156 where: short stacking energy: -542.846 Base-Backbone interact. energy: 2.199 local terms energy: -719.112971 where: bonds (distance) C4'-P energy: -151.664 bonds (distance) P-C4' energy: -155.455 flat angles C4'-P-C4' energy: -164.246 flat angles P-C4'-P energy: -100.499 tors. eta vs tors. theta energy: -147.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1824.960290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.960290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.960290 (E_RNA) where: Base-Base interactions energy: -1201.943 where: short stacking energy: -520.534 Base-Backbone interact. energy: 1.471 local terms energy: -624.488124 where: bonds (distance) C4'-P energy: -137.970 bonds (distance) P-C4' energy: -140.267 flat angles C4'-P-C4' energy: -140.369 flat angles P-C4'-P energy: -82.251 tors. eta vs tors. theta energy: -123.631 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: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1419.705951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.705951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.705951 (E_RNA) where: Base-Base interactions energy: -861.315 where: short stacking energy: -399.394 Base-Backbone interact. energy: -3.136 local terms energy: -555.254670 where: bonds (distance) C4'-P energy: -110.764 bonds (distance) P-C4' energy: -134.783 flat angles C4'-P-C4' energy: -147.381 flat angles P-C4'-P energy: -93.920 tors. eta vs tors. theta energy: -68.407 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: 3 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -937.083650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.083650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.083650 (E_RNA) where: Base-Base interactions energy: -457.421 where: short stacking energy: -273.468 Base-Backbone interact. energy: -0.437 local terms energy: -479.226186 where: bonds (distance) C4'-P energy: -124.701 bonds (distance) P-C4' energy: -148.388 flat angles C4'-P-C4' energy: -131.830 flat angles P-C4'-P energy: -65.575 tors. eta vs tors. theta energy: -8.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -722.521747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.521747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.521747 (E_RNA) where: Base-Base interactions energy: -308.930 where: short stacking energy: -193.592 Base-Backbone interact. energy: 8.109 local terms energy: -421.700610 where: bonds (distance) C4'-P energy: -126.195 bonds (distance) P-C4' energy: -137.243 flat angles C4'-P-C4' energy: -102.914 flat angles P-C4'-P energy: -72.584 tors. eta vs tors. theta energy: 17.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2822.159077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.159077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.159077 (E_RNA) where: Base-Base interactions energy: -1958.414 where: short stacking energy: -812.785 Base-Backbone interact. energy: -2.616 local terms energy: -861.129794 where: bonds (distance) C4'-P energy: -157.322 bonds (distance) P-C4' energy: -176.206 flat angles C4'-P-C4' energy: -171.548 flat angles P-C4'-P energy: -115.142 tors. eta vs tors. theta energy: -240.911 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: 4 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2763.494653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.494653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.494653 (E_RNA) where: Base-Base interactions energy: -1916.115 where: short stacking energy: -766.011 Base-Backbone interact. energy: -5.701 local terms energy: -841.678717 where: bonds (distance) C4'-P energy: -157.594 bonds (distance) P-C4' energy: -157.061 flat angles C4'-P-C4' energy: -172.776 flat angles P-C4'-P energy: -117.787 tors. eta vs tors. theta energy: -236.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2631.503031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.503031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.503031 (E_RNA) where: Base-Base interactions energy: -1834.886 where: short stacking energy: -766.700 Base-Backbone interact. energy: -5.245 local terms energy: -791.372349 where: bonds (distance) C4'-P energy: -132.420 bonds (distance) P-C4' energy: -142.507 flat angles C4'-P-C4' energy: -172.067 flat angles P-C4'-P energy: -129.630 tors. eta vs tors. theta energy: -214.748 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: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2492.354358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.354358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.354358 (E_RNA) where: Base-Base interactions energy: -1674.102 where: short stacking energy: -723.779 Base-Backbone interact. energy: 2.223 local terms energy: -820.475387 where: bonds (distance) C4'-P energy: -142.103 bonds (distance) P-C4' energy: -157.934 flat angles C4'-P-C4' energy: -174.224 flat angles P-C4'-P energy: -125.171 tors. eta vs tors. theta energy: -221.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2320.084214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.084214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.084214 (E_RNA) where: Base-Base interactions energy: -1550.039 where: short stacking energy: -648.136 Base-Backbone interact. energy: 0.297 local terms energy: -770.342332 where: bonds (distance) C4'-P energy: -155.841 bonds (distance) P-C4' energy: -154.151 flat angles C4'-P-C4' energy: -165.979 flat angles P-C4'-P energy: -117.818 tors. eta vs tors. theta energy: -176.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1950.863904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.863904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.863904 (E_RNA) where: Base-Base interactions energy: -1289.274 where: short stacking energy: -558.632 Base-Backbone interact. energy: 1.460 local terms energy: -663.050024 where: bonds (distance) C4'-P energy: -142.985 bonds (distance) P-C4' energy: -120.558 flat angles C4'-P-C4' energy: -169.080 flat angles P-C4'-P energy: -89.855 tors. eta vs tors. theta energy: -140.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1932.283453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.283453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.283453 (E_RNA) where: Base-Base interactions energy: -1255.972 where: short stacking energy: -576.299 Base-Backbone interact. energy: -4.170 local terms energy: -672.140706 where: bonds (distance) C4'-P energy: -142.215 bonds (distance) P-C4' energy: -144.644 flat angles C4'-P-C4' energy: -156.074 flat angles P-C4'-P energy: -88.311 tors. eta vs tors. theta energy: -140.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1484.350630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.350630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.350630 (E_RNA) where: Base-Base interactions energy: -935.093 where: short stacking energy: -432.551 Base-Backbone interact. energy: -0.947 local terms energy: -548.310710 where: bonds (distance) C4'-P energy: -100.083 bonds (distance) P-C4' energy: -135.757 flat angles C4'-P-C4' energy: -140.110 flat angles P-C4'-P energy: -94.393 tors. eta vs tors. theta energy: -77.968 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: 9, replica: 3 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -851.984972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.984972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.984972 (E_RNA) where: Base-Base interactions energy: -368.046 where: short stacking energy: -217.490 Base-Backbone interact. energy: 6.312 local terms energy: -490.250394 where: bonds (distance) C4'-P energy: -128.606 bonds (distance) P-C4' energy: -163.125 flat angles C4'-P-C4' energy: -119.681 flat angles P-C4'-P energy: -84.447 tors. eta vs tors. theta energy: 5.609 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: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -729.094820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.094820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.094820 (E_RNA) where: Base-Base interactions energy: -299.973 where: short stacking energy: -207.015 Base-Backbone interact. energy: -1.086 local terms energy: -428.036297 where: bonds (distance) C4'-P energy: -130.354 bonds (distance) P-C4' energy: -153.369 flat angles C4'-P-C4' energy: -107.657 flat angles P-C4'-P energy: -76.780 tors. eta vs tors. theta energy: 40.124 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: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2816.884850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.884850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.884850 (E_RNA) where: Base-Base interactions energy: -1938.665 where: short stacking energy: -829.303 Base-Backbone interact. energy: -6.046 local terms energy: -872.173817 where: bonds (distance) C4'-P energy: -163.253 bonds (distance) P-C4' energy: -173.260 flat angles C4'-P-C4' energy: -178.360 flat angles P-C4'-P energy: -127.458 tors. eta vs tors. theta energy: -229.843 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: 4 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2825.326900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.326900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.326900 (E_RNA) where: Base-Base interactions energy: -1968.179 where: short stacking energy: -836.664 Base-Backbone interact. energy: -2.097 local terms energy: -855.051108 where: bonds (distance) C4'-P energy: -160.359 bonds (distance) P-C4' energy: -156.371 flat angles C4'-P-C4' energy: -179.484 flat angles P-C4'-P energy: -118.398 tors. eta vs tors. theta energy: -240.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2633.543075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.543075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.543075 (E_RNA) where: Base-Base interactions energy: -1838.150 where: short stacking energy: -759.762 Base-Backbone interact. energy: -2.930 local terms energy: -792.463461 where: bonds (distance) C4'-P energy: -150.833 bonds (distance) P-C4' energy: -149.457 flat angles C4'-P-C4' energy: -168.652 flat angles P-C4'-P energy: -110.155 tors. eta vs tors. theta energy: -213.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2463.748428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.748428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.748428 (E_RNA) where: Base-Base interactions energy: -1646.843 where: short stacking energy: -738.951 Base-Backbone interact. energy: 4.676 local terms energy: -821.581293 where: bonds (distance) C4'-P energy: -163.482 bonds (distance) P-C4' energy: -146.588 flat angles C4'-P-C4' energy: -164.036 flat angles P-C4'-P energy: -120.289 tors. eta vs tors. theta energy: -227.186 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: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2307.097870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.097870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.097870 (E_RNA) where: Base-Base interactions energy: -1563.760 where: short stacking energy: -659.306 Base-Backbone interact. energy: 3.358 local terms energy: -746.695552 where: bonds (distance) C4'-P energy: -141.516 bonds (distance) P-C4' energy: -163.207 flat angles C4'-P-C4' energy: -173.138 flat angles P-C4'-P energy: -90.875 tors. eta vs tors. theta energy: -177.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1984.507765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.507765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.507765 (E_RNA) where: Base-Base interactions energy: -1328.122 where: short stacking energy: -562.012 Base-Backbone interact. energy: -1.955 local terms energy: -654.430632 where: bonds (distance) C4'-P energy: -120.081 bonds (distance) P-C4' energy: -141.691 flat angles C4'-P-C4' energy: -151.963 flat angles P-C4'-P energy: -102.880 tors. eta vs tors. theta energy: -137.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1848.028213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.028213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.028213 (E_RNA) where: Base-Base interactions energy: -1187.162 where: short stacking energy: -522.988 Base-Backbone interact. energy: -4.235 local terms energy: -656.631384 where: bonds (distance) C4'-P energy: -130.617 bonds (distance) P-C4' energy: -167.078 flat angles C4'-P-C4' energy: -153.482 flat angles P-C4'-P energy: -93.578 tors. eta vs tors. theta energy: -111.876 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: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1470.741187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.741187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.741187 (E_RNA) where: Base-Base interactions energy: -924.191 where: short stacking energy: -419.458 Base-Backbone interact. energy: -0.350 local terms energy: -546.199767 where: bonds (distance) C4'-P energy: -117.699 bonds (distance) P-C4' energy: -136.857 flat angles C4'-P-C4' energy: -123.126 flat angles P-C4'-P energy: -89.351 tors. eta vs tors. theta energy: -79.166 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: 9, replica: 3 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -787.511269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.511269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.511269 (E_RNA) where: Base-Base interactions energy: -336.027 where: short stacking energy: -213.013 Base-Backbone interact. energy: -2.206 local terms energy: -449.278437 where: bonds (distance) C4'-P energy: -145.510 bonds (distance) P-C4' energy: -130.082 flat angles C4'-P-C4' energy: -114.674 flat angles P-C4'-P energy: -81.575 tors. eta vs tors. theta energy: 22.563 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: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -734.971804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.971804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.971804 (E_RNA) where: Base-Base interactions energy: -285.651 where: short stacking energy: -181.649 Base-Backbone interact. energy: -3.954 local terms energy: -445.367306 where: bonds (distance) C4'-P energy: -132.453 bonds (distance) P-C4' energy: -130.159 flat angles C4'-P-C4' energy: -130.849 flat angles P-C4'-P energy: -56.862 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: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2812.300996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.300996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.300996 (E_RNA) where: Base-Base interactions energy: -1919.696 where: short stacking energy: -839.747 Base-Backbone interact. energy: -3.481 local terms energy: -889.123978 where: bonds (distance) C4'-P energy: -172.093 bonds (distance) P-C4' energy: -156.745 flat angles C4'-P-C4' energy: -191.796 flat angles P-C4'-P energy: -119.110 tors. eta vs tors. theta energy: -249.379 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: 280 Temperature: 0.950000 Total energy: -2789.209732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.209732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.209732 (E_RNA) where: Base-Base interactions energy: -1908.343 where: short stacking energy: -815.583 Base-Backbone interact. energy: -2.360 local terms energy: -878.507267 where: bonds (distance) C4'-P energy: -177.699 bonds (distance) P-C4' energy: -163.224 flat angles C4'-P-C4' energy: -177.871 flat angles P-C4'-P energy: -119.944 tors. eta vs tors. theta energy: -239.768 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: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2612.344116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.344116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.344116 (E_RNA) where: Base-Base interactions energy: -1809.565 where: short stacking energy: -758.856 Base-Backbone interact. energy: -4.855 local terms energy: -797.924072 where: bonds (distance) C4'-P energy: -146.368 bonds (distance) P-C4' energy: -167.672 flat angles C4'-P-C4' energy: -162.560 flat angles P-C4'-P energy: -106.071 tors. eta vs tors. theta energy: -215.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2419.599911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.599911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.599911 (E_RNA) where: Base-Base interactions energy: -1630.649 where: short stacking energy: -734.823 Base-Backbone interact. energy: -0.303 local terms energy: -788.648052 where: bonds (distance) C4'-P energy: -151.377 bonds (distance) P-C4' energy: -158.364 flat angles C4'-P-C4' energy: -162.407 flat angles P-C4'-P energy: -105.908 tors. eta vs tors. theta energy: -210.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2386.599003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.599003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.599003 (E_RNA) where: Base-Base interactions energy: -1655.140 where: short stacking energy: -684.953 Base-Backbone interact. energy: -0.023 local terms energy: -731.436297 where: bonds (distance) C4'-P energy: -129.352 bonds (distance) P-C4' energy: -156.731 flat angles C4'-P-C4' energy: -164.313 flat angles P-C4'-P energy: -102.365 tors. eta vs tors. theta energy: -178.675 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: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1970.066363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.066363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.066363 (E_RNA) where: Base-Base interactions energy: -1288.040 where: short stacking energy: -552.306 Base-Backbone interact. energy: -2.177 local terms energy: -679.849523 where: bonds (distance) C4'-P energy: -135.368 bonds (distance) P-C4' energy: -148.988 flat angles C4'-P-C4' energy: -150.615 flat angles P-C4'-P energy: -96.426 tors. eta vs tors. theta energy: -148.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1809.586643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.586643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.586643 (E_RNA) where: Base-Base interactions energy: -1168.328 where: short stacking energy: -509.171 Base-Backbone interact. energy: -0.219 local terms energy: -641.038933 where: bonds (distance) C4'-P energy: -143.368 bonds (distance) P-C4' energy: -140.428 flat angles C4'-P-C4' energy: -139.402 flat angles P-C4'-P energy: -99.738 tors. eta vs tors. theta energy: -118.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1390.691053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.691053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.691053 (E_RNA) where: Base-Base interactions energy: -849.376 where: short stacking energy: -391.777 Base-Backbone interact. energy: -2.208 local terms energy: -539.106503 where: bonds (distance) C4'-P energy: -140.557 bonds (distance) P-C4' energy: -137.215 flat angles C4'-P-C4' energy: -133.666 flat angles P-C4'-P energy: -70.575 tors. eta vs tors. theta energy: -57.093 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: 3 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -873.379955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.379955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.379955 (E_RNA) where: Base-Base interactions energy: -393.270 where: short stacking energy: -262.897 Base-Backbone interact. energy: 3.499 local terms energy: -483.609787 where: bonds (distance) C4'-P energy: -125.670 bonds (distance) P-C4' energy: -134.878 flat angles C4'-P-C4' energy: -116.853 flat angles P-C4'-P energy: -87.805 tors. eta vs tors. theta energy: -18.404 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: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -759.365718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.365718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.365718 (E_RNA) where: Base-Base interactions energy: -327.598 where: short stacking energy: -191.624 Base-Backbone interact. energy: -3.422 local terms energy: -428.345803 where: bonds (distance) C4'-P energy: -114.898 bonds (distance) P-C4' energy: -151.321 flat angles C4'-P-C4' energy: -101.977 flat angles P-C4'-P energy: -77.355 tors. eta vs tors. theta energy: 17.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2800.130128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.130128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.130128 (E_RNA) where: Base-Base interactions energy: -1933.807 where: short stacking energy: -820.220 Base-Backbone interact. energy: -1.846 local terms energy: -864.476920 where: bonds (distance) C4'-P energy: -160.996 bonds (distance) P-C4' energy: -165.302 flat angles C4'-P-C4' energy: -189.643 flat angles P-C4'-P energy: -113.852 tors. eta vs tors. theta energy: -234.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2805.402322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.402322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.402322 (E_RNA) where: Base-Base interactions energy: -1960.594 where: short stacking energy: -810.698 Base-Backbone interact. energy: -3.639 local terms energy: -841.168496 where: bonds (distance) C4'-P energy: -155.834 bonds (distance) P-C4' energy: -146.709 flat angles C4'-P-C4' energy: -180.071 flat angles P-C4'-P energy: -126.965 tors. eta vs tors. theta energy: -231.589 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: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2588.535345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.535345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.535345 (E_RNA) where: Base-Base interactions energy: -1781.186 where: short stacking energy: -742.101 Base-Backbone interact. energy: -3.148 local terms energy: -804.201102 where: bonds (distance) C4'-P energy: -157.688 bonds (distance) P-C4' energy: -152.869 flat angles C4'-P-C4' energy: -172.757 flat angles P-C4'-P energy: -108.899 tors. eta vs tors. theta energy: -211.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2445.267961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.267961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.267961 (E_RNA) where: Base-Base interactions energy: -1644.007 where: short stacking energy: -724.142 Base-Backbone interact. energy: -4.172 local terms energy: -797.088720 where: bonds (distance) C4'-P energy: -142.842 bonds (distance) P-C4' energy: -160.520 flat angles C4'-P-C4' energy: -171.788 flat angles P-C4'-P energy: -100.619 tors. eta vs tors. theta energy: -221.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2380.969093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.969093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.969093 (E_RNA) where: Base-Base interactions energy: -1635.308 where: short stacking energy: -681.991 Base-Backbone interact. energy: -2.751 local terms energy: -742.909903 where: bonds (distance) C4'-P energy: -149.529 bonds (distance) P-C4' energy: -157.596 flat angles C4'-P-C4' energy: -156.095 flat angles P-C4'-P energy: -88.916 tors. eta vs tors. theta energy: -190.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1991.743161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.743161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.743161 (E_RNA) where: Base-Base interactions energy: -1284.710 where: short stacking energy: -594.294 Base-Backbone interact. energy: -1.185 local terms energy: -705.847614 where: bonds (distance) C4'-P energy: -145.169 bonds (distance) P-C4' energy: -153.638 flat angles C4'-P-C4' energy: -142.562 flat angles P-C4'-P energy: -105.919 tors. eta vs tors. theta energy: -158.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1936.417972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.417972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.417972 (E_RNA) where: Base-Base interactions energy: -1291.713 where: short stacking energy: -530.980 Base-Backbone interact. energy: -1.590 local terms energy: -643.114288 where: bonds (distance) C4'-P energy: -138.808 bonds (distance) P-C4' energy: -154.126 flat angles C4'-P-C4' energy: -151.698 flat angles P-C4'-P energy: -79.416 tors. eta vs tors. theta energy: -119.066 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: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1335.292359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.292359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.292359 (E_RNA) where: Base-Base interactions energy: -804.478 where: short stacking energy: -404.289 Base-Backbone interact. energy: -2.965 local terms energy: -527.848924 where: bonds (distance) C4'-P energy: -136.472 bonds (distance) P-C4' energy: -137.469 flat angles C4'-P-C4' energy: -146.410 flat angles P-C4'-P energy: -77.724 tors. eta vs tors. theta energy: -29.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -893.951696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.951696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.951696 (E_RNA) where: Base-Base interactions energy: -437.427 where: short stacking energy: -258.774 Base-Backbone interact. energy: 2.510 local terms energy: -459.034689 where: bonds (distance) C4'-P energy: -139.221 bonds (distance) P-C4' energy: -128.573 flat angles C4'-P-C4' energy: -121.071 flat angles P-C4'-P energy: -66.137 tors. eta vs tors. theta energy: -4.032 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: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -769.748702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.748702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.748702 (E_RNA) where: Base-Base interactions energy: -332.399 where: short stacking energy: -217.263 Base-Backbone interact. energy: -0.394 local terms energy: -436.955134 where: bonds (distance) C4'-P energy: -129.024 bonds (distance) P-C4' energy: -147.839 flat angles C4'-P-C4' energy: -113.445 flat angles P-C4'-P energy: -61.028 tors. eta vs tors. theta energy: 14.381 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: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2883.202089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.202089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.202089 (E_RNA) where: Base-Base interactions energy: -2000.845 where: short stacking energy: -851.148 Base-Backbone interact. energy: -0.334 local terms energy: -882.023256 where: bonds (distance) C4'-P energy: -169.132 bonds (distance) P-C4' energy: -150.979 flat angles C4'-P-C4' energy: -182.808 flat angles P-C4'-P energy: -129.145 tors. eta vs tors. theta energy: -249.958 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: 2 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2750.977220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.977220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.977220 (E_RNA) where: Base-Base interactions energy: -1919.966 where: short stacking energy: -803.430 Base-Backbone interact. energy: -1.616 local terms energy: -829.395233 where: bonds (distance) C4'-P energy: -154.584 bonds (distance) P-C4' energy: -144.996 flat angles C4'-P-C4' energy: -184.214 flat angles P-C4'-P energy: -112.359 tors. eta vs tors. theta energy: -233.243 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: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2625.478908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.478908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.478908 (E_RNA) where: Base-Base interactions energy: -1815.358 where: short stacking energy: -754.311 Base-Backbone interact. energy: -1.541 local terms energy: -808.579560 where: bonds (distance) C4'-P energy: -141.560 bonds (distance) P-C4' energy: -161.754 flat angles C4'-P-C4' energy: -175.569 flat angles P-C4'-P energy: -117.432 tors. eta vs tors. theta energy: -212.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2425.077665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.077665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.077665 (E_RNA) where: Base-Base interactions energy: -1616.430 where: short stacking energy: -718.898 Base-Backbone interact. energy: -3.506 local terms energy: -805.141855 where: bonds (distance) C4'-P energy: -160.831 bonds (distance) P-C4' energy: -169.097 flat angles C4'-P-C4' energy: -159.815 flat angles P-C4'-P energy: -106.436 tors. eta vs tors. theta energy: -208.963 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: 5, replica: 5 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2336.126774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.126774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.126774 (E_RNA) where: Base-Base interactions energy: -1608.128 where: short stacking energy: -660.637 Base-Backbone interact. energy: -3.104 local terms energy: -724.895256 where: bonds (distance) C4'-P energy: -132.516 bonds (distance) P-C4' energy: -143.540 flat angles C4'-P-C4' energy: -164.154 flat angles P-C4'-P energy: -102.509 tors. eta vs tors. theta energy: -182.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1912.142848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.142848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.142848 (E_RNA) where: Base-Base interactions energy: -1218.927 where: short stacking energy: -572.417 Base-Backbone interact. energy: -1.974 local terms energy: -691.242399 where: bonds (distance) C4'-P energy: -158.672 bonds (distance) P-C4' energy: -140.208 flat angles C4'-P-C4' energy: -144.734 flat angles P-C4'-P energy: -108.915 tors. eta vs tors. theta energy: -138.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1906.474139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.474139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.474139 (E_RNA) where: Base-Base interactions energy: -1263.933 where: short stacking energy: -536.476 Base-Backbone interact. energy: 0.804 local terms energy: -643.344931 where: bonds (distance) C4'-P energy: -135.850 bonds (distance) P-C4' energy: -139.702 flat angles C4'-P-C4' energy: -132.251 flat angles P-C4'-P energy: -108.342 tors. eta vs tors. theta energy: -127.201 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: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1348.827913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.827913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.827913 (E_RNA) where: Base-Base interactions energy: -822.865 where: short stacking energy: -393.420 Base-Backbone interact. energy: -3.120 local terms energy: -522.843062 where: bonds (distance) C4'-P energy: -108.637 bonds (distance) P-C4' energy: -140.641 flat angles C4'-P-C4' energy: -126.829 flat angles P-C4'-P energy: -98.140 tors. eta vs tors. theta energy: -48.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -864.315627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.315627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.315627 (E_RNA) where: Base-Base interactions energy: -377.272 where: short stacking energy: -184.764 Base-Backbone interact. energy: 2.138 local terms energy: -489.181365 where: bonds (distance) C4'-P energy: -129.214 bonds (distance) P-C4' energy: -154.758 flat angles C4'-P-C4' energy: -149.021 flat angles P-C4'-P energy: -86.778 tors. eta vs tors. theta energy: 30.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -813.368839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.368839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.368839 (E_RNA) where: Base-Base interactions energy: -368.323 where: short stacking energy: -231.742 Base-Backbone interact. energy: -0.225 local terms energy: -444.820663 where: bonds (distance) C4'-P energy: -120.835 bonds (distance) P-C4' energy: -133.504 flat angles C4'-P-C4' energy: -125.419 flat angles P-C4'-P energy: -74.328 tors. eta vs tors. theta energy: 9.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2877.837709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.837709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.837709 (E_RNA) where: Base-Base interactions energy: -1989.030 where: short stacking energy: -851.748 Base-Backbone interact. energy: -4.465 local terms energy: -884.343428 where: bonds (distance) C4'-P energy: -159.125 bonds (distance) P-C4' energy: -175.511 flat angles C4'-P-C4' energy: -179.416 flat angles P-C4'-P energy: -117.638 tors. eta vs tors. theta energy: -252.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2770.857924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.857924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.857924 (E_RNA) where: Base-Base interactions energy: -1913.744 where: short stacking energy: -792.732 Base-Backbone interact. energy: -3.465 local terms energy: -853.648956 where: bonds (distance) C4'-P energy: -160.744 bonds (distance) P-C4' energy: -156.013 flat angles C4'-P-C4' energy: -178.783 flat angles P-C4'-P energy: -115.431 tors. eta vs tors. theta energy: -242.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2626.698218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.698218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.698218 (E_RNA) where: Base-Base interactions energy: -1816.082 where: short stacking energy: -757.747 Base-Backbone interact. energy: 3.929 local terms energy: -814.545659 where: bonds (distance) C4'-P energy: -159.695 bonds (distance) P-C4' energy: -155.022 flat angles C4'-P-C4' energy: -182.742 flat angles P-C4'-P energy: -102.653 tors. eta vs tors. theta energy: -214.434 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: 9 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2399.377710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.377710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.377710 (E_RNA) where: Base-Base interactions energy: -1595.407 where: short stacking energy: -730.291 Base-Backbone interact. energy: -2.726 local terms energy: -801.244754 where: bonds (distance) C4'-P energy: -149.545 bonds (distance) P-C4' energy: -157.040 flat angles C4'-P-C4' energy: -172.325 flat angles P-C4'-P energy: -119.326 tors. eta vs tors. theta energy: -203.008 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: 5 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2361.679266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.679266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.679266 (E_RNA) where: Base-Base interactions energy: -1636.807 where: short stacking energy: -680.701 Base-Backbone interact. energy: 0.462 local terms energy: -725.334176 where: bonds (distance) C4'-P energy: -135.976 bonds (distance) P-C4' energy: -132.093 flat angles C4'-P-C4' energy: -162.379 flat angles P-C4'-P energy: -109.407 tors. eta vs tors. theta energy: -185.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1956.831087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.831087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.831087 (E_RNA) where: Base-Base interactions energy: -1266.240 where: short stacking energy: -573.385 Base-Backbone interact. energy: -5.226 local terms energy: -685.365749 where: bonds (distance) C4'-P energy: -138.941 bonds (distance) P-C4' energy: -154.096 flat angles C4'-P-C4' energy: -162.137 flat angles P-C4'-P energy: -86.007 tors. eta vs tors. theta energy: -144.186 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: 7, replica: 7 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1815.872417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.872417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.872417 (E_RNA) where: Base-Base interactions energy: -1144.522 where: short stacking energy: -481.801 Base-Backbone interact. energy: -3.667 local terms energy: -667.683487 where: bonds (distance) C4'-P energy: -151.139 bonds (distance) P-C4' energy: -149.015 flat angles C4'-P-C4' energy: -148.361 flat angles P-C4'-P energy: -92.820 tors. eta vs tors. theta energy: -126.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1379.890946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.890946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.890946 (E_RNA) where: Base-Base interactions energy: -830.049 where: short stacking energy: -376.079 Base-Backbone interact. energy: -2.231 local terms energy: -547.610669 where: bonds (distance) C4'-P energy: -129.697 bonds (distance) P-C4' energy: -152.372 flat angles C4'-P-C4' energy: -122.252 flat angles P-C4'-P energy: -76.141 tors. eta vs tors. theta energy: -67.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -848.509669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.509669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.509669 (E_RNA) where: Base-Base interactions energy: -415.816 where: short stacking energy: -237.861 Base-Backbone interact. energy: 1.423 local terms energy: -434.117087 where: bonds (distance) C4'-P energy: -127.189 bonds (distance) P-C4' energy: -134.803 flat angles C4'-P-C4' energy: -124.033 flat angles P-C4'-P energy: -48.389 tors. eta vs tors. theta energy: 0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -780.451514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.451514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.451514 (E_RNA) where: Base-Base interactions energy: -368.120 where: short stacking energy: -230.895 Base-Backbone interact. energy: -2.129 local terms energy: -410.202200 where: bonds (distance) C4'-P energy: -135.596 bonds (distance) P-C4' energy: -133.726 flat angles C4'-P-C4' energy: -87.462 flat angles P-C4'-P energy: -73.065 tors. eta vs tors. theta energy: 19.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2819.142300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.142300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.142300 (E_RNA) where: Base-Base interactions energy: -1925.192 where: short stacking energy: -811.046 Base-Backbone interact. energy: -5.105 local terms energy: -888.844536 where: bonds (distance) C4'-P energy: -175.504 bonds (distance) P-C4' energy: -171.194 flat angles C4'-P-C4' energy: -189.554 flat angles P-C4'-P energy: -119.385 tors. eta vs tors. theta energy: -233.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2740.154345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.154345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.154345 (E_RNA) where: Base-Base interactions energy: -1867.884 where: short stacking energy: -795.257 Base-Backbone interact. energy: -3.079 local terms energy: -869.191789 where: bonds (distance) C4'-P energy: -175.062 bonds (distance) P-C4' energy: -150.652 flat angles C4'-P-C4' energy: -186.763 flat angles P-C4'-P energy: -125.967 tors. eta vs tors. theta energy: -230.748 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: 284 Temperature: 1.000000 Total energy: -2635.280901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.280901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.280901 (E_RNA) where: Base-Base interactions energy: -1826.993 where: short stacking energy: -735.684 Base-Backbone interact. energy: -2.516 local terms energy: -805.771868 where: bonds (distance) C4'-P energy: -154.341 bonds (distance) P-C4' energy: -139.586 flat angles C4'-P-C4' energy: -168.156 flat angles P-C4'-P energy: -122.372 tors. eta vs tors. theta energy: -221.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2441.887299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.887299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.887299 (E_RNA) where: Base-Base interactions energy: -1609.558 where: short stacking energy: -732.273 Base-Backbone interact. energy: 1.390 local terms energy: -833.719941 where: bonds (distance) C4'-P energy: -152.027 bonds (distance) P-C4' energy: -160.990 flat angles C4'-P-C4' energy: -187.431 flat angles P-C4'-P energy: -116.749 tors. eta vs tors. theta energy: -216.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2409.123478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.123478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.123478 (E_RNA) where: Base-Base interactions energy: -1632.455 where: short stacking energy: -683.412 Base-Backbone interact. energy: -2.898 local terms energy: -773.770621 where: bonds (distance) C4'-P energy: -138.960 bonds (distance) P-C4' energy: -155.449 flat angles C4'-P-C4' energy: -163.583 flat angles P-C4'-P energy: -122.000 tors. eta vs tors. theta energy: -193.779 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: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1997.825337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.825337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.825337 (E_RNA) where: Base-Base interactions energy: -1298.137 where: short stacking energy: -536.847 Base-Backbone interact. energy: -4.576 local terms energy: -695.112129 where: bonds (distance) C4'-P energy: -154.474 bonds (distance) P-C4' energy: -155.196 flat angles C4'-P-C4' energy: -153.913 flat angles P-C4'-P energy: -103.165 tors. eta vs tors. theta energy: -128.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1778.983399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.983399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.983399 (E_RNA) where: Base-Base interactions energy: -1153.395 where: short stacking energy: -520.592 Base-Backbone interact. energy: 5.994 local terms energy: -631.581692 where: bonds (distance) C4'-P energy: -125.093 bonds (distance) P-C4' energy: -149.190 flat angles C4'-P-C4' energy: -134.701 flat angles P-C4'-P energy: -95.107 tors. eta vs tors. theta energy: -127.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1310.797056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.797056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.797056 (E_RNA) where: Base-Base interactions energy: -753.137 where: short stacking energy: -366.292 Base-Backbone interact. energy: -2.597 local terms energy: -555.062714 where: bonds (distance) C4'-P energy: -124.969 bonds (distance) P-C4' energy: -143.412 flat angles C4'-P-C4' energy: -138.280 flat angles P-C4'-P energy: -86.451 tors. eta vs tors. theta energy: -61.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -855.165686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.165686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.165686 (E_RNA) where: Base-Base interactions energy: -398.461 where: short stacking energy: -249.627 Base-Backbone interact. energy: -0.814 local terms energy: -455.890647 where: bonds (distance) C4'-P energy: -139.512 bonds (distance) P-C4' energy: -137.044 flat angles C4'-P-C4' energy: -103.388 flat angles P-C4'-P energy: -86.399 tors. eta vs tors. theta energy: 10.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -796.803173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.803173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.803173 (E_RNA) where: Base-Base interactions energy: -354.104 where: short stacking energy: -190.262 Base-Backbone interact. energy: 1.733 local terms energy: -444.432744 where: bonds (distance) C4'-P energy: -120.533 bonds (distance) P-C4' energy: -142.389 flat angles C4'-P-C4' energy: -120.693 flat angles P-C4'-P energy: -77.158 tors. eta vs tors. theta energy: 16.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2838.626874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.626874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.626874 (E_RNA) where: Base-Base interactions energy: -1950.351 where: short stacking energy: -804.247 Base-Backbone interact. energy: -5.293 local terms energy: -882.982647 where: bonds (distance) C4'-P energy: -170.531 bonds (distance) P-C4' energy: -171.912 flat angles C4'-P-C4' energy: -185.618 flat angles P-C4'-P energy: -128.603 tors. eta vs tors. theta energy: -226.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2754.008308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.008308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.008308 (E_RNA) where: Base-Base interactions energy: -1933.802 where: short stacking energy: -775.272 Base-Backbone interact. energy: -2.884 local terms energy: -817.322336 where: bonds (distance) C4'-P energy: -143.773 bonds (distance) P-C4' energy: -166.682 flat angles C4'-P-C4' energy: -172.319 flat angles P-C4'-P energy: -119.915 tors. eta vs tors. theta energy: -214.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2685.585935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.585935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.585935 (E_RNA) where: Base-Base interactions energy: -1835.503 where: short stacking energy: -779.587 Base-Backbone interact. energy: -0.251 local terms energy: -849.831517 where: bonds (distance) C4'-P energy: -151.661 bonds (distance) P-C4' energy: -159.225 flat angles C4'-P-C4' energy: -183.308 flat angles P-C4'-P energy: -119.484 tors. eta vs tors. theta energy: -236.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2471.843913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.843913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.843913 (E_RNA) where: Base-Base interactions energy: -1673.412 where: short stacking energy: -771.274 Base-Backbone interact. energy: -3.140 local terms energy: -795.291789 where: bonds (distance) C4'-P energy: -139.607 bonds (distance) P-C4' energy: -153.341 flat angles C4'-P-C4' energy: -177.103 flat angles P-C4'-P energy: -95.069 tors. eta vs tors. theta energy: -230.172 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: 5 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2432.206573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.206573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.206573 (E_RNA) where: Base-Base interactions energy: -1662.966 where: short stacking energy: -707.395 Base-Backbone interact. energy: 1.618 local terms energy: -770.858361 where: bonds (distance) C4'-P energy: -136.095 bonds (distance) P-C4' energy: -151.191 flat angles C4'-P-C4' energy: -163.711 flat angles P-C4'-P energy: -116.465 tors. eta vs tors. theta energy: -203.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1975.615960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.615960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.615960 (E_RNA) where: Base-Base interactions energy: -1292.337 where: short stacking energy: -553.304 Base-Backbone interact. energy: -4.414 local terms energy: -678.864364 where: bonds (distance) C4'-P energy: -145.100 bonds (distance) P-C4' energy: -154.174 flat angles C4'-P-C4' energy: -140.632 flat angles P-C4'-P energy: -107.961 tors. eta vs tors. theta energy: -130.996 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: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1679.512338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.512338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.512338 (E_RNA) where: Base-Base interactions energy: -1082.754 where: short stacking energy: -473.237 Base-Backbone interact. energy: -3.655 local terms energy: -593.102806 where: bonds (distance) C4'-P energy: -126.621 bonds (distance) P-C4' energy: -145.992 flat angles C4'-P-C4' energy: -143.103 flat angles P-C4'-P energy: -72.167 tors. eta vs tors. theta energy: -105.221 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: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1324.727577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.727577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.727577 (E_RNA) where: Base-Base interactions energy: -787.406 where: short stacking energy: -361.493 Base-Backbone interact. energy: -2.145 local terms energy: -535.175809 where: bonds (distance) C4'-P energy: -131.304 bonds (distance) P-C4' energy: -145.458 flat angles C4'-P-C4' energy: -128.612 flat angles P-C4'-P energy: -68.684 tors. eta vs tors. theta energy: -61.116 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: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -863.755302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.755302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.755302 (E_RNA) where: Base-Base interactions energy: -417.671 where: short stacking energy: -254.557 Base-Backbone interact. energy: 1.954 local terms energy: -448.038000 where: bonds (distance) C4'-P energy: -124.062 bonds (distance) P-C4' energy: -135.765 flat angles C4'-P-C4' energy: -119.850 flat angles P-C4'-P energy: -54.759 tors. eta vs tors. theta energy: -13.602 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: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -798.674227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.674227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.674227 (E_RNA) where: Base-Base interactions energy: -360.428 where: short stacking energy: -225.044 Base-Backbone interact. energy: 0.433 local terms energy: -438.678747 where: bonds (distance) C4'-P energy: -126.758 bonds (distance) P-C4' energy: -152.466 flat angles C4'-P-C4' energy: -95.179 flat angles P-C4'-P energy: -70.896 tors. eta vs tors. theta energy: 6.621 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: 286 Temperature: 0.900000 Total energy: -2865.731012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.731012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.731012 (E_RNA) where: Base-Base interactions energy: -1988.261 where: short stacking energy: -836.231 Base-Backbone interact. energy: -4.014 local terms energy: -873.456000 where: bonds (distance) C4'-P energy: -153.497 bonds (distance) P-C4' energy: -179.502 flat angles C4'-P-C4' energy: -178.548 flat angles P-C4'-P energy: -122.567 tors. eta vs tors. theta energy: -239.342 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: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2807.205283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.205283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.205283 (E_RNA) where: Base-Base interactions energy: -1961.244 where: short stacking energy: -816.427 Base-Backbone interact. energy: 0.340 local terms energy: -846.301343 where: bonds (distance) C4'-P energy: -153.436 bonds (distance) P-C4' energy: -152.329 flat angles C4'-P-C4' energy: -188.376 flat angles P-C4'-P energy: -122.806 tors. eta vs tors. theta energy: -229.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2640.617142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.617142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.617142 (E_RNA) where: Base-Base interactions energy: -1822.578 where: short stacking energy: -754.752 Base-Backbone interact. energy: -3.355 local terms energy: -814.683770 where: bonds (distance) C4'-P energy: -152.126 bonds (distance) P-C4' energy: -150.991 flat angles C4'-P-C4' energy: -177.093 flat angles P-C4'-P energy: -114.482 tors. eta vs tors. theta energy: -219.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2390.025789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.025789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.025789 (E_RNA) where: Base-Base interactions energy: -1610.008 where: short stacking energy: -698.037 Base-Backbone interact. energy: -2.549 local terms energy: -777.468778 where: bonds (distance) C4'-P energy: -151.598 bonds (distance) P-C4' energy: -136.330 flat angles C4'-P-C4' energy: -175.301 flat angles P-C4'-P energy: -104.580 tors. eta vs tors. theta energy: -209.660 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: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2422.101161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.101161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.101161 (E_RNA) where: Base-Base interactions energy: -1663.502 where: short stacking energy: -696.571 Base-Backbone interact. energy: -0.751 local terms energy: -757.848234 where: bonds (distance) C4'-P energy: -142.808 bonds (distance) P-C4' energy: -150.949 flat angles C4'-P-C4' energy: -169.983 flat angles P-C4'-P energy: -104.097 tors. eta vs tors. theta energy: -190.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1892.400631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.400631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.400631 (E_RNA) where: Base-Base interactions energy: -1242.650 where: short stacking energy: -548.589 Base-Backbone interact. energy: 5.419 local terms energy: -655.168971 where: bonds (distance) C4'-P energy: -144.482 bonds (distance) P-C4' energy: -140.159 flat angles C4'-P-C4' energy: -135.457 flat angles P-C4'-P energy: -104.929 tors. eta vs tors. theta energy: -130.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1669.307224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.307224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.307224 (E_RNA) where: Base-Base interactions energy: -1058.470 where: short stacking energy: -457.910 Base-Backbone interact. energy: 1.441 local terms energy: -612.278319 where: bonds (distance) C4'-P energy: -129.994 bonds (distance) P-C4' energy: -136.964 flat angles C4'-P-C4' energy: -143.315 flat angles P-C4'-P energy: -96.719 tors. eta vs tors. theta energy: -105.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1364.800946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.800946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.800946 (E_RNA) where: Base-Base interactions energy: -773.723 where: short stacking energy: -364.607 Base-Backbone interact. energy: -0.795 local terms energy: -590.283216 where: bonds (distance) C4'-P energy: -147.204 bonds (distance) P-C4' energy: -156.700 flat angles C4'-P-C4' energy: -137.874 flat angles P-C4'-P energy: -92.288 tors. eta vs tors. theta energy: -56.217 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: 3 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -955.257163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.257163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.257163 (E_RNA) where: Base-Base interactions energy: -484.123 where: short stacking energy: -253.544 Base-Backbone interact. energy: -3.060 local terms energy: -468.073662 where: bonds (distance) C4'-P energy: -121.894 bonds (distance) P-C4' energy: -123.261 flat angles C4'-P-C4' energy: -144.822 flat angles P-C4'-P energy: -80.123 tors. eta vs tors. theta energy: 2.026 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: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -782.424801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.424801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.424801 (E_RNA) where: Base-Base interactions energy: -353.889 where: short stacking energy: -203.271 Base-Backbone interact. energy: -2.475 local terms energy: -426.060917 where: bonds (distance) C4'-P energy: -124.511 bonds (distance) P-C4' energy: -160.161 flat angles C4'-P-C4' energy: -105.952 flat angles P-C4'-P energy: -45.539 tors. eta vs tors. theta energy: 10.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2903.699459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.699459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.699459 (E_RNA) where: Base-Base interactions energy: -2000.018 where: short stacking energy: -807.623 Base-Backbone interact. energy: -5.955 local terms energy: -897.726929 where: bonds (distance) C4'-P energy: -172.790 bonds (distance) P-C4' energy: -174.046 flat angles C4'-P-C4' energy: -194.478 flat angles P-C4'-P energy: -120.251 tors. eta vs tors. theta energy: -236.161 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: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2791.707647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.707647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.707647 (E_RNA) where: Base-Base interactions energy: -1929.145 where: short stacking energy: -803.873 Base-Backbone interact. energy: -2.736 local terms energy: -859.826841 where: bonds (distance) C4'-P energy: -170.556 bonds (distance) P-C4' energy: -155.290 flat angles C4'-P-C4' energy: -181.840 flat angles P-C4'-P energy: -110.821 tors. eta vs tors. theta energy: -241.320 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: 3, replica: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2716.645829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.645829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.645829 (E_RNA) where: Base-Base interactions energy: -1892.298 where: short stacking energy: -804.066 Base-Backbone interact. energy: -2.695 local terms energy: -821.652762 where: bonds (distance) C4'-P energy: -129.147 bonds (distance) P-C4' energy: -161.332 flat angles C4'-P-C4' energy: -184.495 flat angles P-C4'-P energy: -115.168 tors. eta vs tors. theta energy: -231.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2496.725833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.725833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.725833 (E_RNA) where: Base-Base interactions energy: -1709.715 where: short stacking energy: -740.673 Base-Backbone interact. energy: -2.957 local terms energy: -784.054122 where: bonds (distance) C4'-P energy: -152.475 bonds (distance) P-C4' energy: -136.673 flat angles C4'-P-C4' energy: -167.007 flat angles P-C4'-P energy: -124.912 tors. eta vs tors. theta energy: -202.988 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: 9 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2301.515076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.515076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.515076 (E_RNA) where: Base-Base interactions energy: -1531.119 where: short stacking energy: -701.783 Base-Backbone interact. energy: -1.380 local terms energy: -769.016151 where: bonds (distance) C4'-P energy: -152.729 bonds (distance) P-C4' energy: -147.272 flat angles C4'-P-C4' energy: -175.872 flat angles P-C4'-P energy: -85.472 tors. eta vs tors. theta energy: -207.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1924.932549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.932549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.932549 (E_RNA) where: Base-Base interactions energy: -1296.855 where: short stacking energy: -554.920 Base-Backbone interact. energy: -0.277 local terms energy: -627.800006 where: bonds (distance) C4'-P energy: -140.411 bonds (distance) P-C4' energy: -137.745 flat angles C4'-P-C4' energy: -149.919 flat angles P-C4'-P energy: -83.233 tors. eta vs tors. theta energy: -116.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1646.386300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.386300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.386300 (E_RNA) where: Base-Base interactions energy: -1071.951 where: short stacking energy: -470.173 Base-Backbone interact. energy: 3.384 local terms energy: -577.820011 where: bonds (distance) C4'-P energy: -127.826 bonds (distance) P-C4' energy: -150.291 flat angles C4'-P-C4' energy: -127.241 flat angles P-C4'-P energy: -86.908 tors. eta vs tors. theta energy: -85.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1386.778108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.778108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.778108 (E_RNA) where: Base-Base interactions energy: -835.694 where: short stacking energy: -405.642 Base-Backbone interact. energy: -0.747 local terms energy: -550.337507 where: bonds (distance) C4'-P energy: -120.354 bonds (distance) P-C4' energy: -134.987 flat angles C4'-P-C4' energy: -144.607 flat angles P-C4'-P energy: -71.386 tors. eta vs tors. theta energy: -79.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -856.867947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.867947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.867947 (E_RNA) where: Base-Base interactions energy: -410.971 where: short stacking energy: -281.377 Base-Backbone interact. energy: 5.101 local terms energy: -450.998016 where: bonds (distance) C4'-P energy: -107.268 bonds (distance) P-C4' energy: -139.553 flat angles C4'-P-C4' energy: -126.523 flat angles P-C4'-P energy: -70.730 tors. eta vs tors. theta energy: -6.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -770.602029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.602029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.602029 (E_RNA) where: Base-Base interactions energy: -364.975 where: short stacking energy: -199.097 Base-Backbone interact. energy: 1.767 local terms energy: -407.393360 where: bonds (distance) C4'-P energy: -123.872 bonds (distance) P-C4' energy: -130.948 flat angles C4'-P-C4' energy: -107.143 flat angles P-C4'-P energy: -67.141 tors. eta vs tors. theta energy: 21.709 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: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2905.985822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.985822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.985822 (E_RNA) where: Base-Base interactions energy: -2024.300 where: short stacking energy: -853.232 Base-Backbone interact. energy: 4.262 local terms energy: -885.947843 where: bonds (distance) C4'-P energy: -154.673 bonds (distance) P-C4' energy: -151.977 flat angles C4'-P-C4' energy: -187.234 flat angles P-C4'-P energy: -144.400 tors. eta vs tors. theta energy: -247.664 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: 2, replica: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2779.217419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.217419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.217419 (E_RNA) where: Base-Base interactions energy: -1921.818 where: short stacking energy: -779.036 Base-Backbone interact. energy: -2.464 local terms energy: -854.934897 where: bonds (distance) C4'-P energy: -159.011 bonds (distance) P-C4' energy: -171.896 flat angles C4'-P-C4' energy: -183.974 flat angles P-C4'-P energy: -113.656 tors. eta vs tors. theta energy: -226.398 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: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2731.463225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.463225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.463225 (E_RNA) where: Base-Base interactions energy: -1852.342 where: short stacking energy: -794.508 Base-Backbone interact. energy: -1.737 local terms energy: -877.384482 where: bonds (distance) C4'-P energy: -149.500 bonds (distance) P-C4' energy: -169.587 flat angles C4'-P-C4' energy: -193.907 flat angles P-C4'-P energy: -121.965 tors. eta vs tors. theta energy: -242.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2541.936610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.936610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.936610 (E_RNA) where: Base-Base interactions energy: -1787.365 where: short stacking energy: -727.259 Base-Backbone interact. energy: 0.321 local terms energy: -754.891896 where: bonds (distance) C4'-P energy: -136.858 bonds (distance) P-C4' energy: -137.616 flat angles C4'-P-C4' energy: -165.415 flat angles P-C4'-P energy: -106.693 tors. eta vs tors. theta energy: -208.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2266.447561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.447561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.447561 (E_RNA) where: Base-Base interactions energy: -1506.578 where: short stacking energy: -679.014 Base-Backbone interact. energy: -1.531 local terms energy: -758.339172 where: bonds (distance) C4'-P energy: -120.102 bonds (distance) P-C4' energy: -166.300 flat angles C4'-P-C4' energy: -178.351 flat angles P-C4'-P energy: -106.147 tors. eta vs tors. theta energy: -187.438 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: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2008.415280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.415280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.415280 (E_RNA) where: Base-Base interactions energy: -1295.951 where: short stacking energy: -559.844 Base-Backbone interact. energy: -2.480 local terms energy: -709.983876 where: bonds (distance) C4'-P energy: -145.218 bonds (distance) P-C4' energy: -150.633 flat angles C4'-P-C4' energy: -156.708 flat angles P-C4'-P energy: -108.681 tors. eta vs tors. theta energy: -148.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1612.473603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.473603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.473603 (E_RNA) where: Base-Base interactions energy: -1034.640 where: short stacking energy: -449.335 Base-Backbone interact. energy: -1.901 local terms energy: -575.933025 where: bonds (distance) C4'-P energy: -132.149 bonds (distance) P-C4' energy: -145.991 flat angles C4'-P-C4' energy: -149.649 flat angles P-C4'-P energy: -69.662 tors. eta vs tors. theta energy: -78.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1339.973956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.973956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.973956 (E_RNA) where: Base-Base interactions energy: -801.819 where: short stacking energy: -393.293 Base-Backbone interact. energy: 3.196 local terms energy: -541.351325 where: bonds (distance) C4'-P energy: -143.360 bonds (distance) P-C4' energy: -120.630 flat angles C4'-P-C4' energy: -124.583 flat angles P-C4'-P energy: -95.125 tors. eta vs tors. theta energy: -57.652 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: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -833.804549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.804549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.804549 (E_RNA) where: Base-Base interactions energy: -398.843 where: short stacking energy: -265.877 Base-Backbone interact. energy: -1.662 local terms energy: -433.299489 where: bonds (distance) C4'-P energy: -137.801 bonds (distance) P-C4' energy: -123.859 flat angles C4'-P-C4' energy: -113.490 flat angles P-C4'-P energy: -60.629 tors. eta vs tors. theta energy: 2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -842.793310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.793310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.793310 (E_RNA) where: Base-Base interactions energy: -431.016 where: short stacking energy: -219.805 Base-Backbone interact. energy: -1.895 local terms energy: -409.881979 where: bonds (distance) C4'-P energy: -119.202 bonds (distance) P-C4' energy: -132.257 flat angles C4'-P-C4' energy: -103.091 flat angles P-C4'-P energy: -62.097 tors. eta vs tors. theta energy: 6.765 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: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2909.107394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.107394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.107394 (E_RNA) where: Base-Base interactions energy: -2023.007 where: short stacking energy: -869.509 Base-Backbone interact. energy: -2.498 local terms energy: -883.602476 where: bonds (distance) C4'-P energy: -161.349 bonds (distance) P-C4' energy: -154.195 flat angles C4'-P-C4' energy: -187.793 flat angles P-C4'-P energy: -125.082 tors. eta vs tors. theta energy: -255.184 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: 289 Temperature: 0.950000 Total energy: -2751.671618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.671618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.671618 (E_RNA) where: Base-Base interactions energy: -1904.894 where: short stacking energy: -753.265 Base-Backbone interact. energy: 0.950 local terms energy: -847.728373 where: bonds (distance) C4'-P energy: -159.118 bonds (distance) P-C4' energy: -161.909 flat angles C4'-P-C4' energy: -187.511 flat angles P-C4'-P energy: -122.878 tors. eta vs tors. theta energy: -216.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2694.835234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.835234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.835234 (E_RNA) where: Base-Base interactions energy: -1860.431 where: short stacking energy: -793.695 Base-Backbone interact. energy: -2.651 local terms energy: -831.753199 where: bonds (distance) C4'-P energy: -152.644 bonds (distance) P-C4' energy: -141.159 flat angles C4'-P-C4' energy: -180.249 flat angles P-C4'-P energy: -126.284 tors. eta vs tors. theta energy: -231.417 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: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2547.116025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.116025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.116025 (E_RNA) where: Base-Base interactions energy: -1744.258 where: short stacking energy: -717.110 Base-Backbone interact. energy: -4.051 local terms energy: -798.806665 where: bonds (distance) C4'-P energy: -152.205 bonds (distance) P-C4' energy: -153.814 flat angles C4'-P-C4' energy: -175.726 flat angles P-C4'-P energy: -98.526 tors. eta vs tors. theta energy: -218.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2226.599949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.599949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.599949 (E_RNA) where: Base-Base interactions energy: -1490.521 where: short stacking energy: -651.858 Base-Backbone interact. energy: -0.904 local terms energy: -735.175216 where: bonds (distance) C4'-P energy: -139.010 bonds (distance) P-C4' energy: -145.427 flat angles C4'-P-C4' energy: -159.361 flat angles P-C4'-P energy: -107.685 tors. eta vs tors. theta energy: -183.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1947.871348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.871348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.871348 (E_RNA) where: Base-Base interactions energy: -1282.012 where: short stacking energy: -543.216 Base-Backbone interact. energy: -3.905 local terms energy: -661.954347 where: bonds (distance) C4'-P energy: -128.350 bonds (distance) P-C4' energy: -149.790 flat angles C4'-P-C4' energy: -158.848 flat angles P-C4'-P energy: -89.720 tors. eta vs tors. theta energy: -135.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1618.173534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.173534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.173534 (E_RNA) where: Base-Base interactions energy: -981.622 where: short stacking energy: -442.739 Base-Backbone interact. energy: -4.291 local terms energy: -632.259929 where: bonds (distance) C4'-P energy: -137.641 bonds (distance) P-C4' energy: -156.196 flat angles C4'-P-C4' energy: -170.771 flat angles P-C4'-P energy: -86.743 tors. eta vs tors. theta energy: -80.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1268.452954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.452954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.452954 (E_RNA) where: Base-Base interactions energy: -733.526 where: short stacking energy: -357.897 Base-Backbone interact. energy: 1.354 local terms energy: -536.280651 where: bonds (distance) C4'-P energy: -142.815 bonds (distance) P-C4' energy: -138.650 flat angles C4'-P-C4' energy: -135.803 flat angles P-C4'-P energy: -85.591 tors. eta vs tors. theta energy: -33.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -813.327297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.327297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.327297 (E_RNA) where: Base-Base interactions energy: -391.870 where: short stacking energy: -241.958 Base-Backbone interact. energy: -0.909 local terms energy: -420.547802 where: bonds (distance) C4'-P energy: -102.689 bonds (distance) P-C4' energy: -147.769 flat angles C4'-P-C4' energy: -126.214 flat angles P-C4'-P energy: -59.009 tors. eta vs tors. theta energy: 15.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -772.322026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.322026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.322026 (E_RNA) where: Base-Base interactions energy: -331.146 where: short stacking energy: -193.277 Base-Backbone interact. energy: -1.131 local terms energy: -440.044468 where: bonds (distance) C4'-P energy: -126.399 bonds (distance) P-C4' energy: -132.828 flat angles C4'-P-C4' energy: -136.040 flat angles P-C4'-P energy: -75.656 tors. eta vs tors. theta energy: 30.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2892.435487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.435487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.435487 (E_RNA) where: Base-Base interactions energy: -1989.329 where: short stacking energy: -840.885 Base-Backbone interact. energy: -5.035 local terms energy: -898.071534 where: bonds (distance) C4'-P energy: -163.921 bonds (distance) P-C4' energy: -165.091 flat angles C4'-P-C4' energy: -196.151 flat angles P-C4'-P energy: -122.261 tors. eta vs tors. theta energy: -250.647 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: 2, replica: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2738.641480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.641480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.641480 (E_RNA) where: Base-Base interactions energy: -1891.068 where: short stacking energy: -778.036 Base-Backbone interact. energy: -0.787 local terms energy: -846.785976 where: bonds (distance) C4'-P energy: -162.473 bonds (distance) P-C4' energy: -152.425 flat angles C4'-P-C4' energy: -178.710 flat angles P-C4'-P energy: -124.195 tors. eta vs tors. theta energy: -228.982 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: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2686.689320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.689320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.689320 (E_RNA) where: Base-Base interactions energy: -1845.673 where: short stacking energy: -753.038 Base-Backbone interact. energy: 3.484 local terms energy: -844.501037 where: bonds (distance) C4'-P energy: -148.105 bonds (distance) P-C4' energy: -153.869 flat angles C4'-P-C4' energy: -176.960 flat angles P-C4'-P energy: -135.215 tors. eta vs tors. theta energy: -230.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2521.568559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.568559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.568559 (E_RNA) where: Base-Base interactions energy: -1745.687 where: short stacking energy: -702.563 Base-Backbone interact. energy: 0.375 local terms energy: -776.256768 where: bonds (distance) C4'-P energy: -135.055 bonds (distance) P-C4' energy: -150.329 flat angles C4'-P-C4' energy: -167.477 flat angles P-C4'-P energy: -133.438 tors. eta vs tors. theta energy: -189.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2346.493335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.493335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.493335 (E_RNA) where: Base-Base interactions energy: -1576.312 where: short stacking energy: -681.555 Base-Backbone interact. energy: -0.358 local terms energy: -769.823403 where: bonds (distance) C4'-P energy: -156.818 bonds (distance) P-C4' energy: -135.496 flat angles C4'-P-C4' energy: -179.931 flat angles P-C4'-P energy: -115.387 tors. eta vs tors. theta energy: -182.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2034.434478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.434478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.434478 (E_RNA) where: Base-Base interactions energy: -1350.714 where: short stacking energy: -571.476 Base-Backbone interact. energy: -0.880 local terms energy: -682.841062 where: bonds (distance) C4'-P energy: -140.540 bonds (distance) P-C4' energy: -147.195 flat angles C4'-P-C4' energy: -158.857 flat angles P-C4'-P energy: -88.233 tors. eta vs tors. theta energy: -148.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1683.244432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.244432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.244432 (E_RNA) where: Base-Base interactions energy: -1080.038 where: short stacking energy: -459.334 Base-Backbone interact. energy: 3.185 local terms energy: -606.391129 where: bonds (distance) C4'-P energy: -144.396 bonds (distance) P-C4' energy: -149.488 flat angles C4'-P-C4' energy: -140.678 flat angles P-C4'-P energy: -78.874 tors. eta vs tors. theta energy: -92.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1322.549272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.549272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.549272 (E_RNA) where: Base-Base interactions energy: -772.705 where: short stacking energy: -372.495 Base-Backbone interact. energy: 1.613 local terms energy: -551.456769 where: bonds (distance) C4'-P energy: -138.729 bonds (distance) P-C4' energy: -129.851 flat angles C4'-P-C4' energy: -153.517 flat angles P-C4'-P energy: -74.615 tors. eta vs tors. theta energy: -54.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -822.495813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.495813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.495813 (E_RNA) where: Base-Base interactions energy: -372.918 where: short stacking energy: -238.639 Base-Backbone interact. energy: 3.929 local terms energy: -453.506863 where: bonds (distance) C4'-P energy: -112.873 bonds (distance) P-C4' energy: -143.052 flat angles C4'-P-C4' energy: -120.418 flat angles P-C4'-P energy: -82.215 tors. eta vs tors. theta energy: 5.051 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: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -741.993626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.993626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.993626 (E_RNA) where: Base-Base interactions energy: -337.807 where: short stacking energy: -223.585 Base-Backbone interact. energy: 0.475 local terms energy: -404.661770 where: bonds (distance) C4'-P energy: -130.700 bonds (distance) P-C4' energy: -139.238 flat angles C4'-P-C4' energy: -111.552 flat angles P-C4'-P energy: -52.194 tors. eta vs tors. theta energy: 29.023 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: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2908.559105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.559105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.559105 (E_RNA) where: Base-Base interactions energy: -2003.747 where: short stacking energy: -845.743 Base-Backbone interact. energy: -3.817 local terms energy: -900.995811 where: bonds (distance) C4'-P energy: -166.387 bonds (distance) P-C4' energy: -164.109 flat angles C4'-P-C4' energy: -183.569 flat angles P-C4'-P energy: -133.127 tors. eta vs tors. theta energy: -253.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2764.335052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.335052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.335052 (E_RNA) where: Base-Base interactions energy: -1892.359 where: short stacking energy: -797.680 Base-Backbone interact. energy: -2.299 local terms energy: -869.676747 where: bonds (distance) C4'-P energy: -151.318 bonds (distance) P-C4' energy: -157.144 flat angles C4'-P-C4' energy: -188.312 flat angles P-C4'-P energy: -140.638 tors. eta vs tors. theta energy: -232.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2638.976954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.976954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.976954 (E_RNA) where: Base-Base interactions energy: -1819.559 where: short stacking energy: -751.166 Base-Backbone interact. energy: -1.408 local terms energy: -818.009749 where: bonds (distance) C4'-P energy: -144.249 bonds (distance) P-C4' energy: -145.788 flat angles C4'-P-C4' energy: -184.401 flat angles P-C4'-P energy: -127.461 tors. eta vs tors. theta energy: -216.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2553.663043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.663043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.663043 (E_RNA) where: Base-Base interactions energy: -1733.958 where: short stacking energy: -728.979 Base-Backbone interact. energy: -1.633 local terms energy: -818.072392 where: bonds (distance) C4'-P energy: -153.061 bonds (distance) P-C4' energy: -165.124 flat angles C4'-P-C4' energy: -168.776 flat angles P-C4'-P energy: -115.214 tors. eta vs tors. theta energy: -215.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2370.821737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.821737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.821737 (E_RNA) where: Base-Base interactions energy: -1619.479 where: short stacking energy: -734.004 Base-Backbone interact. energy: -1.627 local terms energy: -749.715436 where: bonds (distance) C4'-P energy: -133.483 bonds (distance) P-C4' energy: -123.928 flat angles C4'-P-C4' energy: -173.855 flat angles P-C4'-P energy: -119.619 tors. eta vs tors. theta energy: -198.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1978.676931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.676931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.676931 (E_RNA) where: Base-Base interactions energy: -1289.717 where: short stacking energy: -567.673 Base-Backbone interact. energy: -3.952 local terms energy: -685.008015 where: bonds (distance) C4'-P energy: -150.461 bonds (distance) P-C4' energy: -143.449 flat angles C4'-P-C4' energy: -148.423 flat angles P-C4'-P energy: -95.670 tors. eta vs tors. theta energy: -147.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1667.255557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.255557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.255557 (E_RNA) where: Base-Base interactions energy: -1039.488 where: short stacking energy: -467.280 Base-Backbone interact. energy: 1.193 local terms energy: -628.960664 where: bonds (distance) C4'-P energy: -150.362 bonds (distance) P-C4' energy: -142.649 flat angles C4'-P-C4' energy: -135.402 flat angles P-C4'-P energy: -98.772 tors. eta vs tors. theta energy: -101.776 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: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1395.358623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.358623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.358623 (E_RNA) where: Base-Base interactions energy: -818.045 where: short stacking energy: -372.062 Base-Backbone interact. energy: 4.365 local terms energy: -581.679032 where: bonds (distance) C4'-P energy: -151.662 bonds (distance) P-C4' energy: -161.640 flat angles C4'-P-C4' energy: -128.618 flat angles P-C4'-P energy: -70.423 tors. eta vs tors. theta energy: -69.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -891.658535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.658535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.658535 (E_RNA) where: Base-Base interactions energy: -445.224 where: short stacking energy: -254.537 Base-Backbone interact. energy: 6.368 local terms energy: -452.801700 where: bonds (distance) C4'-P energy: -148.129 bonds (distance) P-C4' energy: -135.658 flat angles C4'-P-C4' energy: -116.891 flat angles P-C4'-P energy: -69.968 tors. eta vs tors. theta energy: 17.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -771.621481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.621481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.621481 (E_RNA) where: Base-Base interactions energy: -334.416 where: short stacking energy: -199.688 Base-Backbone interact. energy: 1.285 local terms energy: -438.490552 where: bonds (distance) C4'-P energy: -111.123 bonds (distance) P-C4' energy: -127.267 flat angles C4'-P-C4' energy: -129.802 flat angles P-C4'-P energy: -86.215 tors. eta vs tors. theta energy: 15.916 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: 1, replica: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2886.899483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.899483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.899483 (E_RNA) where: Base-Base interactions energy: -1999.496 where: short stacking energy: -837.258 Base-Backbone interact. energy: 5.027 local terms energy: -892.431076 where: bonds (distance) C4'-P energy: -168.516 bonds (distance) P-C4' energy: -171.683 flat angles C4'-P-C4' energy: -179.804 flat angles P-C4'-P energy: -128.839 tors. eta vs tors. theta energy: -243.590 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: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2734.898654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.898654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.898654 (E_RNA) where: Base-Base interactions energy: -1867.747 where: short stacking energy: -770.295 Base-Backbone interact. energy: -2.872 local terms energy: -864.279450 where: bonds (distance) C4'-P energy: -170.410 bonds (distance) P-C4' energy: -167.237 flat angles C4'-P-C4' energy: -180.356 flat angles P-C4'-P energy: -123.138 tors. eta vs tors. theta energy: -223.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2694.265924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.265924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.265924 (E_RNA) where: Base-Base interactions energy: -1840.752 where: short stacking energy: -788.632 Base-Backbone interact. energy: -5.865 local terms energy: -847.648923 where: bonds (distance) C4'-P energy: -146.459 bonds (distance) P-C4' energy: -166.244 flat angles C4'-P-C4' energy: -183.741 flat angles P-C4'-P energy: -122.164 tors. eta vs tors. theta energy: -229.041 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: 4, replica: 5 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2578.096346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.096346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.096346 (E_RNA) where: Base-Base interactions energy: -1760.729 where: short stacking energy: -755.928 Base-Backbone interact. energy: -2.340 local terms energy: -815.027407 where: bonds (distance) C4'-P energy: -140.588 bonds (distance) P-C4' energy: -158.320 flat angles C4'-P-C4' energy: -184.056 flat angles P-C4'-P energy: -108.652 tors. eta vs tors. theta energy: -223.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2370.591437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.591437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.591437 (E_RNA) where: Base-Base interactions energy: -1606.138 where: short stacking energy: -709.118 Base-Backbone interact. energy: 1.458 local terms energy: -765.911089 where: bonds (distance) C4'-P energy: -140.940 bonds (distance) P-C4' energy: -155.863 flat angles C4'-P-C4' energy: -168.653 flat angles P-C4'-P energy: -102.292 tors. eta vs tors. theta energy: -198.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2012.213594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.213594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.213594 (E_RNA) where: Base-Base interactions energy: -1309.412 where: short stacking energy: -557.353 Base-Backbone interact. energy: -0.627 local terms energy: -702.174269 where: bonds (distance) C4'-P energy: -157.610 bonds (distance) P-C4' energy: -156.026 flat angles C4'-P-C4' energy: -140.799 flat angles P-C4'-P energy: -114.456 tors. eta vs tors. theta energy: -133.283 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: 7 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1673.398437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.398437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.398437 (E_RNA) where: Base-Base interactions energy: -1040.368 where: short stacking energy: -484.278 Base-Backbone interact. energy: -1.748 local terms energy: -631.282142 where: bonds (distance) C4'-P energy: -148.114 bonds (distance) P-C4' energy: -140.627 flat angles C4'-P-C4' energy: -141.492 flat angles P-C4'-P energy: -84.156 tors. eta vs tors. theta energy: -116.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1398.547585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.547585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.547585 (E_RNA) where: Base-Base interactions energy: -840.510 where: short stacking energy: -383.409 Base-Backbone interact. energy: -2.795 local terms energy: -555.242080 where: bonds (distance) C4'-P energy: -131.379 bonds (distance) P-C4' energy: -138.002 flat angles C4'-P-C4' energy: -117.936 flat angles P-C4'-P energy: -100.160 tors. eta vs tors. theta energy: -67.766 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: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -908.965456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.965456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.965456 (E_RNA) where: Base-Base interactions energy: -444.729 where: short stacking energy: -253.175 Base-Backbone interact. energy: -1.834 local terms energy: -462.402432 where: bonds (distance) C4'-P energy: -132.682 bonds (distance) P-C4' energy: -125.039 flat angles C4'-P-C4' energy: -130.335 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: 5.583 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: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -736.007919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.007919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.007919 (E_RNA) where: Base-Base interactions energy: -316.846 where: short stacking energy: -182.492 Base-Backbone interact. energy: -2.757 local terms energy: -416.404557 where: bonds (distance) C4'-P energy: -122.191 bonds (distance) P-C4' energy: -139.398 flat angles C4'-P-C4' energy: -100.282 flat angles P-C4'-P energy: -88.355 tors. eta vs tors. theta energy: 33.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2916.474325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.474325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.474325 (E_RNA) where: Base-Base interactions energy: -2000.298 where: short stacking energy: -846.486 Base-Backbone interact. energy: -6.101 local terms energy: -910.075522 where: bonds (distance) C4'-P energy: -161.957 bonds (distance) P-C4' energy: -166.208 flat angles C4'-P-C4' energy: -195.039 flat angles P-C4'-P energy: -139.685 tors. eta vs tors. theta energy: -247.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2731.935796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.935796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.935796 (E_RNA) where: Base-Base interactions energy: -1881.439 where: short stacking energy: -811.505 Base-Backbone interact. energy: -4.278 local terms energy: -846.218726 where: bonds (distance) C4'-P energy: -153.532 bonds (distance) P-C4' energy: -163.744 flat angles C4'-P-C4' energy: -183.515 flat angles P-C4'-P energy: -119.481 tors. eta vs tors. theta energy: -225.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2665.946586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.946586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.946586 (E_RNA) where: Base-Base interactions energy: -1864.922 where: short stacking energy: -752.078 Base-Backbone interact. energy: -4.175 local terms energy: -796.849623 where: bonds (distance) C4'-P energy: -139.895 bonds (distance) P-C4' energy: -154.978 flat angles C4'-P-C4' energy: -157.349 flat angles P-C4'-P energy: -129.472 tors. eta vs tors. theta energy: -215.156 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: 5 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2604.366588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.366588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.366588 (E_RNA) where: Base-Base interactions energy: -1789.927 where: short stacking energy: -711.727 Base-Backbone interact. energy: -2.819 local terms energy: -811.620073 where: bonds (distance) C4'-P energy: -155.948 bonds (distance) P-C4' energy: -160.182 flat angles C4'-P-C4' energy: -177.813 flat angles P-C4'-P energy: -104.350 tors. eta vs tors. theta energy: -213.328 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: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2341.019718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.019718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.019718 (E_RNA) where: Base-Base interactions energy: -1578.828 where: short stacking energy: -699.308 Base-Backbone interact. energy: -2.049 local terms energy: -760.142702 where: bonds (distance) C4'-P energy: -133.675 bonds (distance) P-C4' energy: -161.192 flat angles C4'-P-C4' energy: -167.883 flat angles P-C4'-P energy: -104.050 tors. eta vs tors. theta energy: -193.343 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: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1957.990723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.990723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.990723 (E_RNA) where: Base-Base interactions energy: -1326.856 where: short stacking energy: -583.861 Base-Backbone interact. energy: -1.951 local terms energy: -629.184028 where: bonds (distance) C4'-P energy: -138.969 bonds (distance) P-C4' energy: -139.116 flat angles C4'-P-C4' energy: -141.498 flat angles P-C4'-P energy: -82.813 tors. eta vs tors. theta energy: -126.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1675.539090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.539090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.539090 (E_RNA) where: Base-Base interactions energy: -1053.871 where: short stacking energy: -490.382 Base-Backbone interact. energy: -5.283 local terms energy: -616.386018 where: bonds (distance) C4'-P energy: -129.360 bonds (distance) P-C4' energy: -142.082 flat angles C4'-P-C4' energy: -142.165 flat angles P-C4'-P energy: -97.205 tors. eta vs tors. theta energy: -105.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1308.137402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.137402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.137402 (E_RNA) where: Base-Base interactions energy: -781.048 where: short stacking energy: -358.596 Base-Backbone interact. energy: 0.008 local terms energy: -527.096973 where: bonds (distance) C4'-P energy: -122.222 bonds (distance) P-C4' energy: -128.281 flat angles C4'-P-C4' energy: -146.186 flat angles P-C4'-P energy: -86.467 tors. eta vs tors. theta energy: -43.942 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: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -942.579694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.579694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.579694 (E_RNA) where: Base-Base interactions energy: -494.979 where: short stacking energy: -290.344 Base-Backbone interact. energy: 0.080 local terms energy: -447.680335 where: bonds (distance) C4'-P energy: -126.320 bonds (distance) P-C4' energy: -133.868 flat angles C4'-P-C4' energy: -134.899 flat angles P-C4'-P energy: -51.935 tors. eta vs tors. theta energy: -0.658 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: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -753.186998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.186998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.186998 (E_RNA) where: Base-Base interactions energy: -320.064 where: short stacking energy: -208.470 Base-Backbone interact. energy: 1.669 local terms energy: -434.792109 where: bonds (distance) C4'-P energy: -135.800 bonds (distance) P-C4' energy: -150.504 flat angles C4'-P-C4' energy: -105.078 flat angles P-C4'-P energy: -67.142 tors. eta vs tors. theta energy: 23.731 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: 4 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2916.405871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.405871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.405871 (E_RNA) where: Base-Base interactions energy: -2011.362 where: short stacking energy: -847.981 Base-Backbone interact. energy: -2.225 local terms energy: -902.819173 where: bonds (distance) C4'-P energy: -172.406 bonds (distance) P-C4' energy: -162.609 flat angles C4'-P-C4' energy: -191.625 flat angles P-C4'-P energy: -126.514 tors. eta vs tors. theta energy: -249.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2757.516027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.516027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.516027 (E_RNA) where: Base-Base interactions energy: -1856.518 where: short stacking energy: -797.808 Base-Backbone interact. energy: -3.931 local terms energy: -897.066456 where: bonds (distance) C4'-P energy: -176.977 bonds (distance) P-C4' energy: -170.299 flat angles C4'-P-C4' energy: -178.944 flat angles P-C4'-P energy: -134.723 tors. eta vs tors. theta energy: -236.123 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: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2660.488063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.488063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.488063 (E_RNA) where: Base-Base interactions energy: -1814.429 where: short stacking energy: -771.888 Base-Backbone interact. energy: -5.001 local terms energy: -841.057673 where: bonds (distance) C4'-P energy: -152.232 bonds (distance) P-C4' energy: -159.513 flat angles C4'-P-C4' energy: -191.697 flat angles P-C4'-P energy: -108.618 tors. eta vs tors. theta energy: -228.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2587.433061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.433061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.433061 (E_RNA) where: Base-Base interactions energy: -1756.779 where: short stacking energy: -767.498 Base-Backbone interact. energy: -4.870 local terms energy: -825.783947 where: bonds (distance) C4'-P energy: -151.384 bonds (distance) P-C4' energy: -164.752 flat angles C4'-P-C4' energy: -177.466 flat angles P-C4'-P energy: -121.020 tors. eta vs tors. theta energy: -211.161 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: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2416.445975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.445975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.445975 (E_RNA) where: Base-Base interactions energy: -1647.945 where: short stacking energy: -734.902 Base-Backbone interact. energy: 1.267 local terms energy: -769.767853 where: bonds (distance) C4'-P energy: -147.808 bonds (distance) P-C4' energy: -140.283 flat angles C4'-P-C4' energy: -157.610 flat angles P-C4'-P energy: -113.002 tors. eta vs tors. theta energy: -211.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1958.334495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.334495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.334495 (E_RNA) where: Base-Base interactions energy: -1270.089 where: short stacking energy: -561.642 Base-Backbone interact. energy: -1.564 local terms energy: -686.682466 where: bonds (distance) C4'-P energy: -133.669 bonds (distance) P-C4' energy: -138.090 flat angles C4'-P-C4' energy: -147.799 flat angles P-C4'-P energy: -111.793 tors. eta vs tors. theta energy: -155.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1647.188909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.188909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.188909 (E_RNA) where: Base-Base interactions energy: -1018.094 where: short stacking energy: -453.477 Base-Backbone interact. energy: 0.843 local terms energy: -629.937450 where: bonds (distance) C4'-P energy: -153.387 bonds (distance) P-C4' energy: -147.135 flat angles C4'-P-C4' energy: -141.364 flat angles P-C4'-P energy: -91.974 tors. eta vs tors. theta energy: -96.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1344.422845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.422845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.422845 (E_RNA) where: Base-Base interactions energy: -784.425 where: short stacking energy: -348.686 Base-Backbone interact. energy: -2.651 local terms energy: -557.347432 where: bonds (distance) C4'-P energy: -148.863 bonds (distance) P-C4' energy: -148.396 flat angles C4'-P-C4' energy: -136.817 flat angles P-C4'-P energy: -88.379 tors. eta vs tors. theta energy: -34.892 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: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -934.260528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.260528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.260528 (E_RNA) where: Base-Base interactions energy: -458.139 where: short stacking energy: -246.249 Base-Backbone interact. energy: -3.644 local terms energy: -472.477798 where: bonds (distance) C4'-P energy: -145.791 bonds (distance) P-C4' energy: -143.149 flat angles C4'-P-C4' energy: -124.273 flat angles P-C4'-P energy: -59.424 tors. eta vs tors. theta energy: 0.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -764.122337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.122337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.122337 (E_RNA) where: Base-Base interactions energy: -354.230 where: short stacking energy: -218.606 Base-Backbone interact. energy: 6.373 local terms energy: -416.264985 where: bonds (distance) C4'-P energy: -127.878 bonds (distance) P-C4' energy: -125.312 flat angles C4'-P-C4' energy: -105.755 flat angles P-C4'-P energy: -77.276 tors. eta vs tors. theta energy: 19.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2891.456994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.456994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.456994 (E_RNA) where: Base-Base interactions energy: -2001.760 where: short stacking energy: -827.400 Base-Backbone interact. energy: -0.441 local terms energy: -889.255690 where: bonds (distance) C4'-P energy: -172.584 bonds (distance) P-C4' energy: -156.075 flat angles C4'-P-C4' energy: -191.305 flat angles P-C4'-P energy: -129.128 tors. eta vs tors. theta energy: -240.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2769.446383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.446383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.446383 (E_RNA) where: Base-Base interactions energy: -1935.035 where: short stacking energy: -808.127 Base-Backbone interact. energy: -1.452 local terms energy: -832.959408 where: bonds (distance) C4'-P energy: -166.531 bonds (distance) P-C4' energy: -151.191 flat angles C4'-P-C4' energy: -176.020 flat angles P-C4'-P energy: -118.137 tors. eta vs tors. theta energy: -221.080 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: 295 Temperature: 1.000000 Total energy: -2615.455880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.455880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.455880 (E_RNA) where: Base-Base interactions energy: -1824.646 where: short stacking energy: -751.762 Base-Backbone interact. energy: -1.607 local terms energy: -789.202186 where: bonds (distance) C4'-P energy: -142.300 bonds (distance) P-C4' energy: -155.506 flat angles C4'-P-C4' energy: -173.600 flat angles P-C4'-P energy: -111.192 tors. eta vs tors. theta energy: -206.605 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: 295 Temperature: 1.050000 Total energy: -2617.250067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.250067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.250067 (E_RNA) where: Base-Base interactions energy: -1791.477 where: short stacking energy: -775.684 Base-Backbone interact. energy: -2.462 local terms energy: -823.310632 where: bonds (distance) C4'-P energy: -155.950 bonds (distance) P-C4' energy: -163.384 flat angles C4'-P-C4' energy: -168.254 flat angles P-C4'-P energy: -112.416 tors. eta vs tors. theta energy: -223.306 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: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2360.170832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.170832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.170832 (E_RNA) where: Base-Base interactions energy: -1594.593 where: short stacking energy: -689.948 Base-Backbone interact. energy: -3.217 local terms energy: -762.360215 where: bonds (distance) C4'-P energy: -154.307 bonds (distance) P-C4' energy: -143.058 flat angles C4'-P-C4' energy: -170.147 flat angles P-C4'-P energy: -101.068 tors. eta vs tors. theta energy: -193.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2007.394846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.394846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.394846 (E_RNA) where: Base-Base interactions energy: -1321.037 where: short stacking energy: -543.474 Base-Backbone interact. energy: -4.797 local terms energy: -681.560686 where: bonds (distance) C4'-P energy: -128.787 bonds (distance) P-C4' energy: -138.105 flat angles C4'-P-C4' energy: -149.135 flat angles P-C4'-P energy: -110.261 tors. eta vs tors. theta energy: -155.272 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: 7 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1595.750216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.750216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.750216 (E_RNA) where: Base-Base interactions energy: -997.852 where: short stacking energy: -456.751 Base-Backbone interact. energy: -0.994 local terms energy: -596.904400 where: bonds (distance) C4'-P energy: -148.321 bonds (distance) P-C4' energy: -139.095 flat angles C4'-P-C4' energy: -145.656 flat angles P-C4'-P energy: -63.536 tors. eta vs tors. theta energy: -100.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1273.175821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.175821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.175821 (E_RNA) where: Base-Base interactions energy: -758.557 where: short stacking energy: -352.681 Base-Backbone interact. energy: 1.066 local terms energy: -515.685332 where: bonds (distance) C4'-P energy: -124.849 bonds (distance) P-C4' energy: -150.031 flat angles C4'-P-C4' energy: -115.635 flat angles P-C4'-P energy: -95.432 tors. eta vs tors. theta energy: -29.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -915.944524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.944524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.944524 (E_RNA) where: Base-Base interactions energy: -447.823 where: short stacking energy: -266.958 Base-Backbone interact. energy: 0.433 local terms energy: -468.554752 where: bonds (distance) C4'-P energy: -114.820 bonds (distance) P-C4' energy: -142.693 flat angles C4'-P-C4' energy: -130.106 flat angles P-C4'-P energy: -72.795 tors. eta vs tors. theta energy: -8.140 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: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -760.650235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.650235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.650235 (E_RNA) where: Base-Base interactions energy: -309.540 where: short stacking energy: -186.708 Base-Backbone interact. energy: 0.767 local terms energy: -451.877627 where: bonds (distance) C4'-P energy: -114.338 bonds (distance) P-C4' energy: -148.079 flat angles C4'-P-C4' energy: -108.631 flat angles P-C4'-P energy: -85.025 tors. eta vs tors. theta energy: 4.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2886.767099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.767099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.767099 (E_RNA) where: Base-Base interactions energy: -1995.362 where: short stacking energy: -807.024 Base-Backbone interact. energy: -0.464 local terms energy: -890.940450 where: bonds (distance) C4'-P energy: -170.307 bonds (distance) P-C4' energy: -159.870 flat angles C4'-P-C4' energy: -184.553 flat angles P-C4'-P energy: -127.175 tors. eta vs tors. theta energy: -249.035 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: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2764.351031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.351031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.351031 (E_RNA) where: Base-Base interactions energy: -1920.749 where: short stacking energy: -796.289 Base-Backbone interact. energy: 1.189 local terms energy: -844.791561 where: bonds (distance) C4'-P energy: -141.715 bonds (distance) P-C4' energy: -162.628 flat angles C4'-P-C4' energy: -178.950 flat angles P-C4'-P energy: -130.145 tors. eta vs tors. theta energy: -231.353 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: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2606.923694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.923694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.923694 (E_RNA) where: Base-Base interactions energy: -1818.756 where: short stacking energy: -749.920 Base-Backbone interact. energy: 2.203 local terms energy: -790.371092 where: bonds (distance) C4'-P energy: -153.794 bonds (distance) P-C4' energy: -158.243 flat angles C4'-P-C4' energy: -163.002 flat angles P-C4'-P energy: -117.877 tors. eta vs tors. theta energy: -197.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2639.607058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.607058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.607058 (E_RNA) where: Base-Base interactions energy: -1804.169 where: short stacking energy: -767.578 Base-Backbone interact. energy: -2.851 local terms energy: -832.586823 where: bonds (distance) C4'-P energy: -150.319 bonds (distance) P-C4' energy: -154.828 flat angles C4'-P-C4' energy: -171.027 flat angles P-C4'-P energy: -122.789 tors. eta vs tors. theta energy: -233.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2354.633568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.633568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.633568 (E_RNA) where: Base-Base interactions energy: -1607.714 where: short stacking energy: -656.811 Base-Backbone interact. energy: -1.701 local terms energy: -745.219037 where: bonds (distance) C4'-P energy: -146.173 bonds (distance) P-C4' energy: -143.944 flat angles C4'-P-C4' energy: -162.789 flat angles P-C4'-P energy: -114.600 tors. eta vs tors. theta energy: -177.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2008.040568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.040568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.040568 (E_RNA) where: Base-Base interactions energy: -1331.665 where: short stacking energy: -568.796 Base-Backbone interact. energy: -3.774 local terms energy: -672.601196 where: bonds (distance) C4'-P energy: -141.540 bonds (distance) P-C4' energy: -149.334 flat angles C4'-P-C4' energy: -157.217 flat angles P-C4'-P energy: -89.083 tors. eta vs tors. theta energy: -135.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1658.447662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.447662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.447662 (E_RNA) where: Base-Base interactions energy: -1033.784 where: short stacking energy: -477.069 Base-Backbone interact. energy: -0.546 local terms energy: -624.117973 where: bonds (distance) C4'-P energy: -125.755 bonds (distance) P-C4' energy: -162.837 flat angles C4'-P-C4' energy: -146.653 flat angles P-C4'-P energy: -74.841 tors. eta vs tors. theta energy: -114.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1317.657232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.657232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.657232 (E_RNA) where: Base-Base interactions energy: -772.898 where: short stacking energy: -381.286 Base-Backbone interact. energy: 0.993 local terms energy: -545.751939 where: bonds (distance) C4'-P energy: -153.174 bonds (distance) P-C4' energy: -144.578 flat angles C4'-P-C4' energy: -122.240 flat angles P-C4'-P energy: -80.386 tors. eta vs tors. theta energy: -45.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -887.172150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.172150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.172150 (E_RNA) where: Base-Base interactions energy: -454.611 where: short stacking energy: -230.413 Base-Backbone interact. energy: -1.493 local terms energy: -431.067949 where: bonds (distance) C4'-P energy: -117.796 bonds (distance) P-C4' energy: -144.133 flat angles C4'-P-C4' energy: -104.022 flat angles P-C4'-P energy: -80.802 tors. eta vs tors. theta energy: 15.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -780.373162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.373162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.373162 (E_RNA) where: Base-Base interactions energy: -381.042 where: short stacking energy: -221.705 Base-Backbone interact. energy: 7.188 local terms energy: -406.519026 where: bonds (distance) C4'-P energy: -91.591 bonds (distance) P-C4' energy: -161.348 flat angles C4'-P-C4' energy: -119.701 flat angles P-C4'-P energy: -50.192 tors. eta vs tors. theta energy: 16.313 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: 4 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2927.297849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.297849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.297849 (E_RNA) where: Base-Base interactions energy: -2008.517 where: short stacking energy: -827.572 Base-Backbone interact. energy: -5.835 local terms energy: -912.946069 where: bonds (distance) C4'-P energy: -156.678 bonds (distance) P-C4' energy: -167.463 flat angles C4'-P-C4' energy: -192.317 flat angles P-C4'-P energy: -148.409 tors. eta vs tors. theta energy: -248.079 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: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2772.563387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.563387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.563387 (E_RNA) where: Base-Base interactions energy: -1906.225 where: short stacking energy: -794.595 Base-Backbone interact. energy: 0.446 local terms energy: -866.784823 where: bonds (distance) C4'-P energy: -172.095 bonds (distance) P-C4' energy: -154.628 flat angles C4'-P-C4' energy: -183.427 flat angles P-C4'-P energy: -123.694 tors. eta vs tors. theta energy: -232.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2619.302320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.302320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.302320 (E_RNA) where: Base-Base interactions energy: -1774.283 where: short stacking energy: -751.622 Base-Backbone interact. energy: 3.554 local terms energy: -848.573026 where: bonds (distance) C4'-P energy: -148.704 bonds (distance) P-C4' energy: -159.005 flat angles C4'-P-C4' energy: -192.480 flat angles P-C4'-P energy: -122.437 tors. eta vs tors. theta energy: -225.947 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: 5 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2624.816453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.816453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.816453 (E_RNA) where: Base-Base interactions energy: -1796.900 where: short stacking energy: -758.530 Base-Backbone interact. energy: -0.334 local terms energy: -827.582625 where: bonds (distance) C4'-P energy: -155.140 bonds (distance) P-C4' energy: -156.885 flat angles C4'-P-C4' energy: -183.319 flat angles P-C4'-P energy: -111.015 tors. eta vs tors. theta energy: -221.225 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: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2313.227139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.227139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.227139 (E_RNA) where: Base-Base interactions energy: -1543.661 where: short stacking energy: -646.658 Base-Backbone interact. energy: -2.118 local terms energy: -767.447332 where: bonds (distance) C4'-P energy: -144.047 bonds (distance) P-C4' energy: -159.173 flat angles C4'-P-C4' energy: -161.392 flat angles P-C4'-P energy: -119.819 tors. eta vs tors. theta energy: -183.017 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: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2076.250157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.250157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.250157 (E_RNA) where: Base-Base interactions energy: -1381.721 where: short stacking energy: -610.797 Base-Backbone interact. energy: -0.021 local terms energy: -694.508471 where: bonds (distance) C4'-P energy: -144.547 bonds (distance) P-C4' energy: -158.039 flat angles C4'-P-C4' energy: -153.689 flat angles P-C4'-P energy: -95.931 tors. eta vs tors. theta energy: -142.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1605.344203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.344203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.344203 (E_RNA) where: Base-Base interactions energy: -1049.917 where: short stacking energy: -439.811 Base-Backbone interact. energy: -1.628 local terms energy: -553.799735 where: bonds (distance) C4'-P energy: -120.499 bonds (distance) P-C4' energy: -129.113 flat angles C4'-P-C4' energy: -136.489 flat angles P-C4'-P energy: -95.277 tors. eta vs tors. theta energy: -72.422 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: 8, replica: 1 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1297.042849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.042849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.042849 (E_RNA) where: Base-Base interactions energy: -761.976 where: short stacking energy: -359.339 Base-Backbone interact. energy: 2.317 local terms energy: -537.383726 where: bonds (distance) C4'-P energy: -149.695 bonds (distance) P-C4' energy: -120.358 flat angles C4'-P-C4' energy: -148.508 flat angles P-C4'-P energy: -76.977 tors. eta vs tors. theta energy: -41.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -944.276384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.276384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.276384 (E_RNA) where: Base-Base interactions energy: -456.840 where: short stacking energy: -274.714 Base-Backbone interact. energy: 0.274 local terms energy: -487.709796 where: bonds (distance) C4'-P energy: -131.623 bonds (distance) P-C4' energy: -147.911 flat angles C4'-P-C4' energy: -126.486 flat angles P-C4'-P energy: -80.258 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -781.417907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.417907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.417907 (E_RNA) where: Base-Base interactions energy: -353.538 where: short stacking energy: -222.030 Base-Backbone interact. energy: 1.593 local terms energy: -429.472859 where: bonds (distance) C4'-P energy: -121.047 bonds (distance) P-C4' energy: -125.332 flat angles C4'-P-C4' energy: -101.657 flat angles P-C4'-P energy: -83.642 tors. eta vs tors. theta energy: 2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2903.645456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.645456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.645456 (E_RNA) where: Base-Base interactions energy: -2008.620 where: short stacking energy: -843.104 Base-Backbone interact. energy: -4.953 local terms energy: -890.071923 where: bonds (distance) C4'-P energy: -178.271 bonds (distance) P-C4' energy: -166.182 flat angles C4'-P-C4' energy: -187.571 flat angles P-C4'-P energy: -111.858 tors. eta vs tors. theta energy: -246.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2785.832634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.832634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.832634 (E_RNA) where: Base-Base interactions energy: -1927.201 where: short stacking energy: -800.677 Base-Backbone interact. energy: -2.896 local terms energy: -855.735560 where: bonds (distance) C4'-P energy: -164.943 bonds (distance) P-C4' energy: -150.479 flat angles C4'-P-C4' energy: -188.097 flat angles P-C4'-P energy: -115.717 tors. eta vs tors. theta energy: -236.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2591.306220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.306220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.306220 (E_RNA) where: Base-Base interactions energy: -1790.930 where: short stacking energy: -729.647 Base-Backbone interact. energy: 1.630 local terms energy: -802.006468 where: bonds (distance) C4'-P energy: -147.692 bonds (distance) P-C4' energy: -167.362 flat angles C4'-P-C4' energy: -172.248 flat angles P-C4'-P energy: -110.055 tors. eta vs tors. theta energy: -204.651 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: 5 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2542.985929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.985929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.985929 (E_RNA) where: Base-Base interactions energy: -1738.996 where: short stacking energy: -725.267 Base-Backbone interact. energy: -5.193 local terms energy: -798.796714 where: bonds (distance) C4'-P energy: -156.610 bonds (distance) P-C4' energy: -138.455 flat angles C4'-P-C4' energy: -177.297 flat angles P-C4'-P energy: -121.957 tors. eta vs tors. theta energy: -204.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2382.190941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.190941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.190941 (E_RNA) where: Base-Base interactions energy: -1596.844 where: short stacking energy: -697.978 Base-Backbone interact. energy: -1.312 local terms energy: -784.035654 where: bonds (distance) C4'-P energy: -146.264 bonds (distance) P-C4' energy: -151.658 flat angles C4'-P-C4' energy: -176.303 flat angles P-C4'-P energy: -106.249 tors. eta vs tors. theta energy: -203.563 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: 8 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2057.847779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.847779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.847779 (E_RNA) where: Base-Base interactions energy: -1405.502 where: short stacking energy: -578.008 Base-Backbone interact. energy: -0.521 local terms energy: -651.825143 where: bonds (distance) C4'-P energy: -133.473 bonds (distance) P-C4' energy: -151.391 flat angles C4'-P-C4' energy: -142.129 flat angles P-C4'-P energy: -82.854 tors. eta vs tors. theta energy: -141.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1647.391992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.391992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.391992 (E_RNA) where: Base-Base interactions energy: -1048.066 where: short stacking energy: -457.873 Base-Backbone interact. energy: -0.143 local terms energy: -599.183043 where: bonds (distance) C4'-P energy: -129.631 bonds (distance) P-C4' energy: -122.894 flat angles C4'-P-C4' energy: -146.692 flat angles P-C4'-P energy: -92.885 tors. eta vs tors. theta energy: -107.082 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: 8, replica: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1320.051147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.051147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.051147 (E_RNA) where: Base-Base interactions energy: -791.914 where: short stacking energy: -371.698 Base-Backbone interact. energy: -0.629 local terms energy: -527.508260 where: bonds (distance) C4'-P energy: -144.349 bonds (distance) P-C4' energy: -142.820 flat angles C4'-P-C4' energy: -126.376 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -60.796 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: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -922.030742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.030742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.030742 (E_RNA) where: Base-Base interactions energy: -427.446 where: short stacking energy: -249.388 Base-Backbone interact. energy: -1.439 local terms energy: -493.145397 where: bonds (distance) C4'-P energy: -137.530 bonds (distance) P-C4' energy: -144.263 flat angles C4'-P-C4' energy: -104.307 flat angles P-C4'-P energy: -100.534 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -821.396646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.396646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.396646 (E_RNA) where: Base-Base interactions energy: -380.458 where: short stacking energy: -238.855 Base-Backbone interact. energy: 4.771 local terms energy: -445.710313 where: bonds (distance) C4'-P energy: -147.565 bonds (distance) P-C4' energy: -152.228 flat angles C4'-P-C4' energy: -111.569 flat angles P-C4'-P energy: -45.027 tors. eta vs tors. theta energy: 10.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2898.848792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.848792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.848792 (E_RNA) where: Base-Base interactions energy: -2013.659 where: short stacking energy: -861.154 Base-Backbone interact. energy: -6.202 local terms energy: -878.987633 where: bonds (distance) C4'-P energy: -169.462 bonds (distance) P-C4' energy: -158.910 flat angles C4'-P-C4' energy: -178.555 flat angles P-C4'-P energy: -117.837 tors. eta vs tors. theta energy: -254.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2778.763768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.763768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.763768 (E_RNA) where: Base-Base interactions energy: -1915.856 where: short stacking energy: -780.769 Base-Backbone interact. energy: -3.063 local terms energy: -859.843924 where: bonds (distance) C4'-P energy: -154.277 bonds (distance) P-C4' energy: -165.612 flat angles C4'-P-C4' energy: -178.116 flat angles P-C4'-P energy: -123.230 tors. eta vs tors. theta energy: -238.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2600.288743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.288743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.288743 (E_RNA) where: Base-Base interactions energy: -1824.555 where: short stacking energy: -734.156 Base-Backbone interact. energy: 4.939 local terms energy: -780.673319 where: bonds (distance) C4'-P energy: -147.047 bonds (distance) P-C4' energy: -137.095 flat angles C4'-P-C4' energy: -180.527 flat angles P-C4'-P energy: -103.639 tors. eta vs tors. theta energy: -212.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2544.829879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.829879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.829879 (E_RNA) where: Base-Base interactions energy: -1741.653 where: short stacking energy: -764.879 Base-Backbone interact. energy: 0.199 local terms energy: -803.375783 where: bonds (distance) C4'-P energy: -149.641 bonds (distance) P-C4' energy: -147.441 flat angles C4'-P-C4' energy: -173.521 flat angles P-C4'-P energy: -120.244 tors. eta vs tors. theta energy: -212.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2369.586434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.586434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.586434 (E_RNA) where: Base-Base interactions energy: -1627.425 where: short stacking energy: -694.693 Base-Backbone interact. energy: -2.763 local terms energy: -739.398479 where: bonds (distance) C4'-P energy: -160.542 bonds (distance) P-C4' energy: -143.172 flat angles C4'-P-C4' energy: -165.789 flat angles P-C4'-P energy: -93.638 tors. eta vs tors. theta energy: -176.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2026.396824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.396824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.396824 (E_RNA) where: Base-Base interactions energy: -1353.341 where: short stacking energy: -573.899 Base-Backbone interact. energy: -2.499 local terms energy: -670.556898 where: bonds (distance) C4'-P energy: -125.345 bonds (distance) P-C4' energy: -135.987 flat angles C4'-P-C4' energy: -151.998 flat angles P-C4'-P energy: -118.115 tors. eta vs tors. theta energy: -139.111 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: 7 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1696.818981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.818981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.818981 (E_RNA) where: Base-Base interactions energy: -1060.336 where: short stacking energy: -467.067 Base-Backbone interact. energy: -0.037 local terms energy: -636.445753 where: bonds (distance) C4'-P energy: -136.608 bonds (distance) P-C4' energy: -160.139 flat angles C4'-P-C4' energy: -129.632 flat angles P-C4'-P energy: -97.927 tors. eta vs tors. theta energy: -112.140 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: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1319.319814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.319814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.319814 (E_RNA) where: Base-Base interactions energy: -757.291 where: short stacking energy: -368.627 Base-Backbone interact. energy: -1.702 local terms energy: -560.326297 where: bonds (distance) C4'-P energy: -153.632 bonds (distance) P-C4' energy: -136.352 flat angles C4'-P-C4' energy: -133.566 flat angles P-C4'-P energy: -86.312 tors. eta vs tors. theta energy: -50.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -973.305217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.305217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.305217 (E_RNA) where: Base-Base interactions energy: -483.471 where: short stacking energy: -237.065 Base-Backbone interact. energy: -1.621 local terms energy: -488.212420 where: bonds (distance) C4'-P energy: -134.695 bonds (distance) P-C4' energy: -139.382 flat angles C4'-P-C4' energy: -131.271 flat angles P-C4'-P energy: -83.493 tors. eta vs tors. theta energy: 0.627 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: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -758.003000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.003000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.003000 (E_RNA) where: Base-Base interactions energy: -343.084 where: short stacking energy: -211.996 Base-Backbone interact. energy: 0.551 local terms energy: -415.469891 where: bonds (distance) C4'-P energy: -112.164 bonds (distance) P-C4' energy: -136.369 flat angles C4'-P-C4' energy: -118.219 flat angles P-C4'-P energy: -58.017 tors. eta vs tors. theta energy: 9.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2913.341864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.341864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.341864 (E_RNA) where: Base-Base interactions energy: -2026.627 where: short stacking energy: -841.530 Base-Backbone interact. energy: -4.401 local terms energy: -882.313936 where: bonds (distance) C4'-P energy: -158.216 bonds (distance) P-C4' energy: -158.428 flat angles C4'-P-C4' energy: -195.489 flat angles P-C4'-P energy: -117.146 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: 2, replica: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2790.358253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.358253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.358253 (E_RNA) where: Base-Base interactions energy: -1916.104 where: short stacking energy: -823.050 Base-Backbone interact. energy: -2.102 local terms energy: -872.151938 where: bonds (distance) C4'-P energy: -164.066 bonds (distance) P-C4' energy: -173.537 flat angles C4'-P-C4' energy: -186.787 flat angles P-C4'-P energy: -105.965 tors. eta vs tors. theta energy: -241.796 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: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2598.696944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.696944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.696944 (E_RNA) where: Base-Base interactions energy: -1804.269 where: short stacking energy: -775.519 Base-Backbone interact. energy: -2.563 local terms energy: -791.864469 where: bonds (distance) C4'-P energy: -146.352 bonds (distance) P-C4' energy: -149.526 flat angles C4'-P-C4' energy: -174.153 flat angles P-C4'-P energy: -115.435 tors. eta vs tors. theta energy: -206.399 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: 4, replica: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2589.711148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.711148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.711148 (E_RNA) where: Base-Base interactions energy: -1793.121 where: short stacking energy: -765.118 Base-Backbone interact. energy: -2.371 local terms energy: -794.218503 where: bonds (distance) C4'-P energy: -135.771 bonds (distance) P-C4' energy: -159.576 flat angles C4'-P-C4' energy: -166.015 flat angles P-C4'-P energy: -113.512 tors. eta vs tors. theta energy: -219.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2329.975800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.975800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.975800 (E_RNA) where: Base-Base interactions energy: -1555.040 where: short stacking energy: -703.539 Base-Backbone interact. energy: -2.215 local terms energy: -772.720627 where: bonds (distance) C4'-P energy: -143.788 bonds (distance) P-C4' energy: -135.336 flat angles C4'-P-C4' energy: -163.857 flat angles P-C4'-P energy: -124.742 tors. eta vs tors. theta energy: -204.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2097.852090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.852090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.852090 (E_RNA) where: Base-Base interactions energy: -1416.113 where: short stacking energy: -621.078 Base-Backbone interact. energy: -4.415 local terms energy: -677.324692 where: bonds (distance) C4'-P energy: -146.591 bonds (distance) P-C4' energy: -126.055 flat angles C4'-P-C4' energy: -158.688 flat angles P-C4'-P energy: -96.442 tors. eta vs tors. theta energy: -149.548 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: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1765.192771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.192771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.192771 (E_RNA) where: Base-Base interactions energy: -1137.976 where: short stacking energy: -507.827 Base-Backbone interact. energy: 1.718 local terms energy: -628.934999 where: bonds (distance) C4'-P energy: -136.560 bonds (distance) P-C4' energy: -137.419 flat angles C4'-P-C4' energy: -151.512 flat angles P-C4'-P energy: -91.879 tors. eta vs tors. theta energy: -111.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1379.633120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.633120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.633120 (E_RNA) where: Base-Base interactions energy: -851.765 where: short stacking energy: -412.858 Base-Backbone interact. energy: -1.178 local terms energy: -526.690286 where: bonds (distance) C4'-P energy: -115.690 bonds (distance) P-C4' energy: -161.287 flat angles C4'-P-C4' energy: -112.738 flat angles P-C4'-P energy: -75.351 tors. eta vs tors. theta energy: -61.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -964.282156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.282156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.282156 (E_RNA) where: Base-Base interactions energy: -498.388 where: short stacking energy: -267.309 Base-Backbone interact. energy: -1.344 local terms energy: -464.549764 where: bonds (distance) C4'-P energy: -131.225 bonds (distance) P-C4' energy: -139.601 flat angles C4'-P-C4' energy: -122.899 flat angles P-C4'-P energy: -66.175 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -777.321381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.321381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.321381 (E_RNA) where: Base-Base interactions energy: -323.672 where: short stacking energy: -198.891 Base-Backbone interact. energy: 2.817 local terms energy: -456.465936 where: bonds (distance) C4'-P energy: -135.703 bonds (distance) P-C4' energy: -122.396 flat angles C4'-P-C4' energy: -122.027 flat angles P-C4'-P energy: -73.018 tors. eta vs tors. theta energy: -3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2905.759749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.759749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.759749 (E_RNA) where: Base-Base interactions energy: -2006.454 where: short stacking energy: -852.135 Base-Backbone interact. energy: -4.100 local terms energy: -895.206299 where: bonds (distance) C4'-P energy: -168.720 bonds (distance) P-C4' energy: -162.207 flat angles C4'-P-C4' energy: -187.948 flat angles P-C4'-P energy: -130.994 tors. eta vs tors. theta energy: -245.337 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: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2828.369198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.369198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.369198 (E_RNA) where: Base-Base interactions energy: -1946.577 where: short stacking energy: -810.951 Base-Backbone interact. energy: -0.720 local terms energy: -881.072257 where: bonds (distance) C4'-P energy: -170.581 bonds (distance) P-C4' energy: -159.171 flat angles C4'-P-C4' energy: -184.504 flat angles P-C4'-P energy: -124.017 tors. eta vs tors. theta energy: -242.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2612.339223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.339223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.339223 (E_RNA) where: Base-Base interactions energy: -1796.101 where: short stacking energy: -751.595 Base-Backbone interact. energy: 0.809 local terms energy: -817.046981 where: bonds (distance) C4'-P energy: -146.390 bonds (distance) P-C4' energy: -148.745 flat angles C4'-P-C4' energy: -192.318 flat angles P-C4'-P energy: -114.687 tors. eta vs tors. theta energy: -214.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2574.381140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.381140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.381140 (E_RNA) where: Base-Base interactions energy: -1757.885 where: short stacking energy: -757.863 Base-Backbone interact. energy: 0.192 local terms energy: -816.688800 where: bonds (distance) C4'-P energy: -138.395 bonds (distance) P-C4' energy: -163.186 flat angles C4'-P-C4' energy: -171.792 flat angles P-C4'-P energy: -114.626 tors. eta vs tors. theta energy: -228.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2357.061746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.061746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.061746 (E_RNA) where: Base-Base interactions energy: -1596.795 where: short stacking energy: -695.942 Base-Backbone interact. energy: -0.256 local terms energy: -760.011259 where: bonds (distance) C4'-P energy: -130.341 bonds (distance) P-C4' energy: -152.893 flat angles C4'-P-C4' energy: -171.176 flat angles P-C4'-P energy: -113.041 tors. eta vs tors. theta energy: -192.559 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: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2102.498218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.498218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.498218 (E_RNA) where: Base-Base interactions energy: -1400.929 where: short stacking energy: -618.848 Base-Backbone interact. energy: -2.389 local terms energy: -699.179682 where: bonds (distance) C4'-P energy: -139.158 bonds (distance) P-C4' energy: -144.789 flat angles C4'-P-C4' energy: -159.832 flat angles P-C4'-P energy: -101.025 tors. eta vs tors. theta energy: -154.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1759.408228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.408228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.408228 (E_RNA) where: Base-Base interactions energy: -1143.695 where: short stacking energy: -524.834 Base-Backbone interact. energy: 1.819 local terms energy: -617.532416 where: bonds (distance) C4'-P energy: -134.700 bonds (distance) P-C4' energy: -143.279 flat angles C4'-P-C4' energy: -137.054 flat angles P-C4'-P energy: -82.354 tors. eta vs tors. theta energy: -120.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1358.083147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.083147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.083147 (E_RNA) where: Base-Base interactions energy: -848.519 where: short stacking energy: -381.853 Base-Backbone interact. energy: 0.605 local terms energy: -510.169502 where: bonds (distance) C4'-P energy: -115.680 bonds (distance) P-C4' energy: -149.529 flat angles C4'-P-C4' energy: -126.506 flat angles P-C4'-P energy: -72.394 tors. eta vs tors. theta energy: -46.061 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: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -946.175352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.175352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.175352 (E_RNA) where: Base-Base interactions energy: -490.616 where: short stacking energy: -293.965 Base-Backbone interact. energy: -0.715 local terms energy: -454.843804 where: bonds (distance) C4'-P energy: -132.632 bonds (distance) P-C4' energy: -131.536 flat angles C4'-P-C4' energy: -121.897 flat angles P-C4'-P energy: -66.436 tors. eta vs tors. theta energy: -2.343 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: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -717.252432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.252432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.252432 (E_RNA) where: Base-Base interactions energy: -301.412 where: short stacking energy: -221.679 Base-Backbone interact. energy: 6.311 local terms energy: -422.151751 where: bonds (distance) C4'-P energy: -125.265 bonds (distance) P-C4' energy: -143.995 flat angles C4'-P-C4' energy: -107.605 flat angles P-C4'-P energy: -59.867 tors. eta vs tors. theta energy: 14.580 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: 4 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2939.563421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.563421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.563421 (E_RNA) where: Base-Base interactions energy: -2018.654 where: short stacking energy: -839.191 Base-Backbone interact. energy: -4.092 local terms energy: -916.816915 where: bonds (distance) C4'-P energy: -150.047 bonds (distance) P-C4' energy: -169.201 flat angles C4'-P-C4' energy: -204.541 flat angles P-C4'-P energy: -134.578 tors. eta vs tors. theta energy: -258.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2839.335892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.335892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.335892 (E_RNA) where: Base-Base interactions energy: -1977.178 where: short stacking energy: -824.480 Base-Backbone interact. energy: -4.789 local terms energy: -857.368957 where: bonds (distance) C4'-P energy: -136.318 bonds (distance) P-C4' energy: -162.974 flat angles C4'-P-C4' energy: -194.469 flat angles P-C4'-P energy: -116.230 tors. eta vs tors. theta energy: -247.379 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: 302 Temperature: 1.000000 Total energy: -2590.581184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.581184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.581184 (E_RNA) where: Base-Base interactions energy: -1788.217 where: short stacking energy: -761.208 Base-Backbone interact. energy: -1.658 local terms energy: -800.706640 where: bonds (distance) C4'-P energy: -143.309 bonds (distance) P-C4' energy: -138.396 flat angles C4'-P-C4' energy: -180.203 flat angles P-C4'-P energy: -124.803 tors. eta vs tors. theta energy: -213.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2551.479601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.479601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.479601 (E_RNA) where: Base-Base interactions energy: -1752.920 where: short stacking energy: -747.688 Base-Backbone interact. energy: -1.606 local terms energy: -796.952877 where: bonds (distance) C4'-P energy: -150.959 bonds (distance) P-C4' energy: -142.202 flat angles C4'-P-C4' energy: -174.791 flat angles P-C4'-P energy: -108.183 tors. eta vs tors. theta energy: -220.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2378.472345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.472345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.472345 (E_RNA) where: Base-Base interactions energy: -1629.912 where: short stacking energy: -703.212 Base-Backbone interact. energy: 0.805 local terms energy: -749.365522 where: bonds (distance) C4'-P energy: -125.851 bonds (distance) P-C4' energy: -157.585 flat angles C4'-P-C4' energy: -155.052 flat angles P-C4'-P energy: -106.294 tors. eta vs tors. theta energy: -204.583 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: 6, replica: 8 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2108.334704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.334704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.334704 (E_RNA) where: Base-Base interactions energy: -1431.707 where: short stacking energy: -610.308 Base-Backbone interact. energy: 0.014 local terms energy: -676.641644 where: bonds (distance) C4'-P energy: -129.611 bonds (distance) P-C4' energy: -142.209 flat angles C4'-P-C4' energy: -154.010 flat angles P-C4'-P energy: -103.880 tors. eta vs tors. theta energy: -146.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1767.419892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.419892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.419892 (E_RNA) where: Base-Base interactions energy: -1130.219 where: short stacking energy: -473.594 Base-Backbone interact. energy: -1.044 local terms energy: -636.157509 where: bonds (distance) C4'-P energy: -127.322 bonds (distance) P-C4' energy: -140.573 flat angles C4'-P-C4' energy: -164.774 flat angles P-C4'-P energy: -86.410 tors. eta vs tors. theta energy: -117.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1382.587752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.587752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.587752 (E_RNA) where: Base-Base interactions energy: -814.770 where: short stacking energy: -407.852 Base-Backbone interact. energy: 4.709 local terms energy: -572.526729 where: bonds (distance) C4'-P energy: -133.825 bonds (distance) P-C4' energy: -147.716 flat angles C4'-P-C4' energy: -132.935 flat angles P-C4'-P energy: -101.785 tors. eta vs tors. theta energy: -56.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -921.647371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.647371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.647371 (E_RNA) where: Base-Base interactions energy: -446.263 where: short stacking energy: -267.502 Base-Backbone interact. energy: 7.934 local terms energy: -483.318473 where: bonds (distance) C4'-P energy: -134.846 bonds (distance) P-C4' energy: -152.704 flat angles C4'-P-C4' energy: -94.957 flat angles P-C4'-P energy: -97.642 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -726.372220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.372220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.372220 (E_RNA) where: Base-Base interactions energy: -290.900 where: short stacking energy: -232.145 Base-Backbone interact. energy: 1.925 local terms energy: -437.397322 where: bonds (distance) C4'-P energy: -110.854 bonds (distance) P-C4' energy: -141.692 flat angles C4'-P-C4' energy: -123.177 flat angles P-C4'-P energy: -57.396 tors. eta vs tors. theta energy: -4.278 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: 4 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2905.645109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.645109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.645109 (E_RNA) where: Base-Base interactions energy: -2004.039 where: short stacking energy: -881.276 Base-Backbone interact. energy: -2.704 local terms energy: -898.902515 where: bonds (distance) C4'-P energy: -159.811 bonds (distance) P-C4' energy: -170.100 flat angles C4'-P-C4' energy: -184.865 flat angles P-C4'-P energy: -132.309 tors. eta vs tors. theta energy: -251.818 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: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2758.237246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.237246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.237246 (E_RNA) where: Base-Base interactions energy: -1897.868 where: short stacking energy: -790.143 Base-Backbone interact. energy: -1.056 local terms energy: -859.313355 where: bonds (distance) C4'-P energy: -165.736 bonds (distance) P-C4' energy: -158.810 flat angles C4'-P-C4' energy: -174.692 flat angles P-C4'-P energy: -120.352 tors. eta vs tors. theta energy: -239.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2599.756513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.756513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.756513 (E_RNA) where: Base-Base interactions energy: -1762.736 where: short stacking energy: -740.505 Base-Backbone interact. energy: -3.963 local terms energy: -833.057577 where: bonds (distance) C4'-P energy: -154.718 bonds (distance) P-C4' energy: -159.425 flat angles C4'-P-C4' energy: -184.153 flat angles P-C4'-P energy: -127.577 tors. eta vs tors. theta energy: -207.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2598.938698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.938698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.938698 (E_RNA) where: Base-Base interactions energy: -1790.177 where: short stacking energy: -731.391 Base-Backbone interact. energy: -0.402 local terms energy: -808.359734 where: bonds (distance) C4'-P energy: -154.211 bonds (distance) P-C4' energy: -140.195 flat angles C4'-P-C4' energy: -170.357 flat angles P-C4'-P energy: -118.091 tors. eta vs tors. theta energy: -225.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2344.183230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.183230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.183230 (E_RNA) where: Base-Base interactions energy: -1544.885 where: short stacking energy: -671.106 Base-Backbone interact. energy: 1.539 local terms energy: -800.837071 where: bonds (distance) C4'-P energy: -150.413 bonds (distance) P-C4' energy: -159.432 flat angles C4'-P-C4' energy: -170.590 flat angles P-C4'-P energy: -111.361 tors. eta vs tors. theta energy: -209.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2096.100004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.100004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.100004 (E_RNA) where: Base-Base interactions energy: -1395.319 where: short stacking energy: -616.139 Base-Backbone interact. energy: -3.602 local terms energy: -697.178757 where: bonds (distance) C4'-P energy: -142.821 bonds (distance) P-C4' energy: -138.488 flat angles C4'-P-C4' energy: -162.081 flat angles P-C4'-P energy: -96.791 tors. eta vs tors. theta energy: -156.998 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: 7 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1810.121557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.121557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.121557 (E_RNA) where: Base-Base interactions energy: -1146.146 where: short stacking energy: -511.086 Base-Backbone interact. energy: 5.339 local terms energy: -669.313718 where: bonds (distance) C4'-P energy: -143.172 bonds (distance) P-C4' energy: -152.966 flat angles C4'-P-C4' energy: -149.971 flat angles P-C4'-P energy: -104.012 tors. eta vs tors. theta energy: -119.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1331.873207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.873207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.873207 (E_RNA) where: Base-Base interactions energy: -777.312 where: short stacking energy: -338.643 Base-Backbone interact. energy: 1.603 local terms energy: -556.164375 where: bonds (distance) C4'-P energy: -149.144 bonds (distance) P-C4' energy: -158.616 flat angles C4'-P-C4' energy: -128.368 flat angles P-C4'-P energy: -76.178 tors. eta vs tors. theta energy: -43.859 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: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -958.588396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.588396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.588396 (E_RNA) where: Base-Base interactions energy: -515.609 where: short stacking energy: -275.829 Base-Backbone interact. energy: 0.452 local terms energy: -443.431596 where: bonds (distance) C4'-P energy: -136.379 bonds (distance) P-C4' energy: -140.607 flat angles C4'-P-C4' energy: -104.762 flat angles P-C4'-P energy: -56.346 tors. eta vs tors. theta energy: -5.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -723.325127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.325127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.325127 (E_RNA) where: Base-Base interactions energy: -319.124 where: short stacking energy: -214.309 Base-Backbone interact. energy: -0.100 local terms energy: -404.100457 where: bonds (distance) C4'-P energy: -119.814 bonds (distance) P-C4' energy: -143.627 flat angles C4'-P-C4' energy: -97.360 flat angles P-C4'-P energy: -68.307 tors. eta vs tors. theta energy: 25.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2899.823111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.823111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.823111 (E_RNA) where: Base-Base interactions energy: -2003.883 where: short stacking energy: -829.999 Base-Backbone interact. energy: -5.871 local terms energy: -890.069469 where: bonds (distance) C4'-P energy: -165.012 bonds (distance) P-C4' energy: -152.520 flat angles C4'-P-C4' energy: -187.750 flat angles P-C4'-P energy: -132.811 tors. eta vs tors. theta energy: -251.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2753.150417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.150417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.150417 (E_RNA) where: Base-Base interactions energy: -1902.288 where: short stacking energy: -794.145 Base-Backbone interact. energy: -0.452 local terms energy: -850.410191 where: bonds (distance) C4'-P energy: -157.160 bonds (distance) P-C4' energy: -161.963 flat angles C4'-P-C4' energy: -180.551 flat angles P-C4'-P energy: -116.175 tors. eta vs tors. theta energy: -234.562 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: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2587.783651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.783651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.783651 (E_RNA) where: Base-Base interactions energy: -1782.678 where: short stacking energy: -747.850 Base-Backbone interact. energy: -0.980 local terms energy: -804.126044 where: bonds (distance) C4'-P energy: -143.457 bonds (distance) P-C4' energy: -159.752 flat angles C4'-P-C4' energy: -168.137 flat angles P-C4'-P energy: -122.157 tors. eta vs tors. theta energy: -210.623 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: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2548.616676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.616676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.616676 (E_RNA) where: Base-Base interactions energy: -1750.043 where: short stacking energy: -723.851 Base-Backbone interact. energy: -3.057 local terms energy: -795.516413 where: bonds (distance) C4'-P energy: -147.443 bonds (distance) P-C4' energy: -156.365 flat angles C4'-P-C4' energy: -162.457 flat angles P-C4'-P energy: -119.199 tors. eta vs tors. theta energy: -210.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2389.910286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.910286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.910286 (E_RNA) where: Base-Base interactions energy: -1635.835 where: short stacking energy: -735.058 Base-Backbone interact. energy: -1.429 local terms energy: -752.645592 where: bonds (distance) C4'-P energy: -138.054 bonds (distance) P-C4' energy: -121.456 flat angles C4'-P-C4' energy: -165.372 flat angles P-C4'-P energy: -114.922 tors. eta vs tors. theta energy: -212.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2033.221550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.221550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.221550 (E_RNA) where: Base-Base interactions energy: -1345.224 where: short stacking energy: -582.117 Base-Backbone interact. energy: -0.858 local terms energy: -687.139620 where: bonds (distance) C4'-P energy: -136.693 bonds (distance) P-C4' energy: -156.200 flat angles C4'-P-C4' energy: -152.553 flat angles P-C4'-P energy: -104.027 tors. eta vs tors. theta energy: -137.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1802.446081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.446081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.446081 (E_RNA) where: Base-Base interactions energy: -1185.142 where: short stacking energy: -516.542 Base-Backbone interact. energy: 2.272 local terms energy: -619.576981 where: bonds (distance) C4'-P energy: -122.584 bonds (distance) P-C4' energy: -145.242 flat angles C4'-P-C4' energy: -156.510 flat angles P-C4'-P energy: -73.148 tors. eta vs tors. theta energy: -122.092 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: 1 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1354.995926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.995926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.995926 (E_RNA) where: Base-Base interactions energy: -798.787 where: short stacking energy: -390.918 Base-Backbone interact. energy: 2.574 local terms energy: -558.782763 where: bonds (distance) C4'-P energy: -135.055 bonds (distance) P-C4' energy: -147.203 flat angles C4'-P-C4' energy: -132.616 flat angles P-C4'-P energy: -88.544 tors. eta vs tors. theta energy: -55.365 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: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -968.019847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.019847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.019847 (E_RNA) where: Base-Base interactions energy: -468.395 where: short stacking energy: -268.065 Base-Backbone interact. energy: -5.520 local terms energy: -494.104792 where: bonds (distance) C4'-P energy: -135.391 bonds (distance) P-C4' energy: -157.568 flat angles C4'-P-C4' energy: -130.461 flat angles P-C4'-P energy: -60.034 tors. eta vs tors. theta energy: -10.652 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: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -724.939935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.939935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.939935 (E_RNA) where: Base-Base interactions energy: -289.656 where: short stacking energy: -205.041 Base-Backbone interact. energy: 4.638 local terms energy: -439.921734 where: bonds (distance) C4'-P energy: -143.286 bonds (distance) P-C4' energy: -152.711 flat angles C4'-P-C4' energy: -96.147 flat angles P-C4'-P energy: -68.464 tors. eta vs tors. theta energy: 20.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2901.481644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.481644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.481644 (E_RNA) where: Base-Base interactions energy: -1972.493 where: short stacking energy: -818.882 Base-Backbone interact. energy: -2.275 local terms energy: -926.713465 where: bonds (distance) C4'-P energy: -176.289 bonds (distance) P-C4' energy: -160.963 flat angles C4'-P-C4' energy: -202.757 flat angles P-C4'-P energy: -129.812 tors. eta vs tors. theta energy: -256.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2806.802604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.802604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.802604 (E_RNA) where: Base-Base interactions energy: -1931.946 where: short stacking energy: -809.797 Base-Backbone interact. energy: -2.859 local terms energy: -871.998322 where: bonds (distance) C4'-P energy: -170.219 bonds (distance) P-C4' energy: -159.744 flat angles C4'-P-C4' energy: -185.476 flat angles P-C4'-P energy: -115.517 tors. eta vs tors. theta energy: -241.043 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: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2605.770501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.770501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.770501 (E_RNA) where: Base-Base interactions energy: -1772.594 where: short stacking energy: -774.009 Base-Backbone interact. energy: -2.622 local terms energy: -830.554555 where: bonds (distance) C4'-P energy: -137.039 bonds (distance) P-C4' energy: -162.411 flat angles C4'-P-C4' energy: -181.821 flat angles P-C4'-P energy: -124.588 tors. eta vs tors. theta energy: -224.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2544.197482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.197482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.197482 (E_RNA) where: Base-Base interactions energy: -1729.546 where: short stacking energy: -706.942 Base-Backbone interact. energy: -1.544 local terms energy: -813.107542 where: bonds (distance) C4'-P energy: -144.506 bonds (distance) P-C4' energy: -164.136 flat angles C4'-P-C4' energy: -171.523 flat angles P-C4'-P energy: -108.723 tors. eta vs tors. theta energy: -224.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2362.641918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.641918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.641918 (E_RNA) where: Base-Base interactions energy: -1580.882 where: short stacking energy: -703.542 Base-Backbone interact. energy: -2.952 local terms energy: -778.807838 where: bonds (distance) C4'-P energy: -142.952 bonds (distance) P-C4' energy: -172.856 flat angles C4'-P-C4' energy: -149.253 flat angles P-C4'-P energy: -104.201 tors. eta vs tors. theta energy: -209.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2071.447429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.447429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.447429 (E_RNA) where: Base-Base interactions energy: -1382.158 where: short stacking energy: -589.253 Base-Backbone interact. energy: -6.202 local terms energy: -683.086788 where: bonds (distance) C4'-P energy: -124.379 bonds (distance) P-C4' energy: -145.017 flat angles C4'-P-C4' energy: -163.921 flat angles P-C4'-P energy: -100.666 tors. eta vs tors. theta energy: -149.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1775.626720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.626720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.626720 (E_RNA) where: Base-Base interactions energy: -1125.694 where: short stacking energy: -493.856 Base-Backbone interact. energy: 1.437 local terms energy: -651.369494 where: bonds (distance) C4'-P energy: -128.698 bonds (distance) P-C4' energy: -150.992 flat angles C4'-P-C4' energy: -144.723 flat angles P-C4'-P energy: -104.773 tors. eta vs tors. theta energy: -122.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1312.870352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.870352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.870352 (E_RNA) where: Base-Base interactions energy: -771.272 where: short stacking energy: -385.661 Base-Backbone interact. energy: 11.949 local terms energy: -553.547266 where: bonds (distance) C4'-P energy: -131.415 bonds (distance) P-C4' energy: -143.644 flat angles C4'-P-C4' energy: -135.418 flat angles P-C4'-P energy: -103.847 tors. eta vs tors. theta energy: -39.223 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: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -939.657596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.657596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.657596 (E_RNA) where: Base-Base interactions energy: -483.658 where: short stacking energy: -268.025 Base-Backbone interact. energy: -2.299 local terms energy: -453.701249 where: bonds (distance) C4'-P energy: -140.723 bonds (distance) P-C4' energy: -131.055 flat angles C4'-P-C4' energy: -130.520 flat angles P-C4'-P energy: -64.666 tors. eta vs tors. theta energy: 13.262 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: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -646.202586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.202586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.202586 (E_RNA) where: Base-Base interactions energy: -248.603 where: short stacking energy: -173.272 Base-Backbone interact. energy: 4.803 local terms energy: -402.402873 where: bonds (distance) C4'-P energy: -125.087 bonds (distance) P-C4' energy: -140.411 flat angles C4'-P-C4' energy: -106.520 flat angles P-C4'-P energy: -64.892 tors. eta vs tors. theta energy: 34.507 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: 4 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2894.364820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.364820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.364820 (E_RNA) where: Base-Base interactions energy: -2002.308 where: short stacking energy: -842.617 Base-Backbone interact. energy: 0.929 local terms energy: -892.985676 where: bonds (distance) C4'-P energy: -148.295 bonds (distance) P-C4' energy: -168.962 flat angles C4'-P-C4' energy: -188.662 flat angles P-C4'-P energy: -137.371 tors. eta vs tors. theta energy: -249.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2772.542086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.542086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.542086 (E_RNA) where: Base-Base interactions energy: -1909.709 where: short stacking energy: -816.580 Base-Backbone interact. energy: -2.365 local terms energy: -860.468061 where: bonds (distance) C4'-P energy: -167.583 bonds (distance) P-C4' energy: -172.313 flat angles C4'-P-C4' energy: -183.394 flat angles P-C4'-P energy: -107.167 tors. eta vs tors. theta energy: -230.011 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: 306 Temperature: 1.000000 Total energy: -2639.669477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.669477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.669477 (E_RNA) where: Base-Base interactions energy: -1813.116 where: short stacking energy: -766.593 Base-Backbone interact. energy: -5.969 local terms energy: -820.584728 where: bonds (distance) C4'-P energy: -150.687 bonds (distance) P-C4' energy: -154.747 flat angles C4'-P-C4' energy: -182.235 flat angles P-C4'-P energy: -121.345 tors. eta vs tors. theta energy: -211.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2540.183553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.183553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.183553 (E_RNA) where: Base-Base interactions energy: -1737.026 where: short stacking energy: -700.169 Base-Backbone interact. energy: -1.156 local terms energy: -802.001964 where: bonds (distance) C4'-P energy: -156.416 bonds (distance) P-C4' energy: -167.020 flat angles C4'-P-C4' energy: -155.081 flat angles P-C4'-P energy: -114.884 tors. eta vs tors. theta energy: -208.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2322.910335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.910335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.910335 (E_RNA) where: Base-Base interactions energy: -1543.948 where: short stacking energy: -674.839 Base-Backbone interact. energy: -3.502 local terms energy: -775.460141 where: bonds (distance) C4'-P energy: -155.769 bonds (distance) P-C4' energy: -141.769 flat angles C4'-P-C4' energy: -162.955 flat angles P-C4'-P energy: -111.315 tors. eta vs tors. theta energy: -203.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2074.660214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.660214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.660214 (E_RNA) where: Base-Base interactions energy: -1361.054 where: short stacking energy: -595.174 Base-Backbone interact. energy: -0.144 local terms energy: -713.462275 where: bonds (distance) C4'-P energy: -137.391 bonds (distance) P-C4' energy: -149.480 flat angles C4'-P-C4' energy: -164.926 flat angles P-C4'-P energy: -104.169 tors. eta vs tors. theta energy: -157.497 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: 7 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1782.369285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.369285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.369285 (E_RNA) where: Base-Base interactions energy: -1152.378 where: short stacking energy: -502.346 Base-Backbone interact. energy: 4.314 local terms energy: -634.305394 where: bonds (distance) C4'-P energy: -120.644 bonds (distance) P-C4' energy: -152.468 flat angles C4'-P-C4' energy: -154.252 flat angles P-C4'-P energy: -72.369 tors. eta vs tors. theta energy: -134.572 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: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1357.634288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.634288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.634288 (E_RNA) where: Base-Base interactions energy: -805.191 where: short stacking energy: -368.782 Base-Backbone interact. energy: -1.904 local terms energy: -550.538998 where: bonds (distance) C4'-P energy: -152.018 bonds (distance) P-C4' energy: -145.453 flat angles C4'-P-C4' energy: -139.583 flat angles P-C4'-P energy: -55.129 tors. eta vs tors. theta energy: -58.356 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: 9, replica: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -935.394130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.394130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.394130 (E_RNA) where: Base-Base interactions energy: -466.262 where: short stacking energy: -249.086 Base-Backbone interact. energy: -1.411 local terms energy: -467.721535 where: bonds (distance) C4'-P energy: -118.003 bonds (distance) P-C4' energy: -150.923 flat angles C4'-P-C4' energy: -122.221 flat angles P-C4'-P energy: -78.749 tors. eta vs tors. theta energy: 2.174 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: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -615.222318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.222318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.222318 (E_RNA) where: Base-Base interactions energy: -201.103 where: short stacking energy: -160.828 Base-Backbone interact. energy: 1.895 local terms energy: -416.014313 where: bonds (distance) C4'-P energy: -132.281 bonds (distance) P-C4' energy: -136.057 flat angles C4'-P-C4' energy: -116.991 flat angles P-C4'-P energy: -58.884 tors. eta vs tors. theta energy: 28.200 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: 4 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2907.716498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.716498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.716498 (E_RNA) where: Base-Base interactions energy: -2022.967 where: short stacking energy: -848.555 Base-Backbone interact. energy: -4.495 local terms energy: -880.254682 where: bonds (distance) C4'-P energy: -155.807 bonds (distance) P-C4' energy: -161.978 flat angles C4'-P-C4' energy: -181.843 flat angles P-C4'-P energy: -128.217 tors. eta vs tors. theta energy: -252.409 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: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2778.841743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.841743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.841743 (E_RNA) where: Base-Base interactions energy: -1915.100 where: short stacking energy: -797.808 Base-Backbone interact. energy: -3.228 local terms energy: -860.513410 where: bonds (distance) C4'-P energy: -167.323 bonds (distance) P-C4' energy: -162.802 flat angles C4'-P-C4' energy: -184.993 flat angles P-C4'-P energy: -116.259 tors. eta vs tors. theta energy: -229.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2591.565372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.565372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.565372 (E_RNA) where: Base-Base interactions energy: -1783.150 where: short stacking energy: -770.047 Base-Backbone interact. energy: 4.015 local terms energy: -812.430066 where: bonds (distance) C4'-P energy: -152.202 bonds (distance) P-C4' energy: -153.207 flat angles C4'-P-C4' energy: -171.914 flat angles P-C4'-P energy: -122.371 tors. eta vs tors. theta energy: -212.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2590.849628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.849628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.849628 (E_RNA) where: Base-Base interactions energy: -1780.429 where: short stacking energy: -729.647 Base-Backbone interact. energy: 0.227 local terms energy: -810.647772 where: bonds (distance) C4'-P energy: -145.725 bonds (distance) P-C4' energy: -139.987 flat angles C4'-P-C4' energy: -181.115 flat angles P-C4'-P energy: -120.020 tors. eta vs tors. theta energy: -223.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2276.100511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.100511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.100511 (E_RNA) where: Base-Base interactions energy: -1507.293 where: short stacking energy: -656.675 Base-Backbone interact. energy: 1.550 local terms energy: -770.357607 where: bonds (distance) C4'-P energy: -137.273 bonds (distance) P-C4' energy: -163.202 flat angles C4'-P-C4' energy: -174.038 flat angles P-C4'-P energy: -105.405 tors. eta vs tors. theta energy: -190.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2033.808147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.808147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.808147 (E_RNA) where: Base-Base interactions energy: -1384.078 where: short stacking energy: -586.561 Base-Backbone interact. energy: -0.189 local terms energy: -649.541224 where: bonds (distance) C4'-P energy: -130.760 bonds (distance) P-C4' energy: -135.066 flat angles C4'-P-C4' energy: -153.205 flat angles P-C4'-P energy: -95.143 tors. eta vs tors. theta energy: -135.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1890.144362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.144362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.144362 (E_RNA) where: Base-Base interactions energy: -1250.618 where: short stacking energy: -566.779 Base-Backbone interact. energy: -1.888 local terms energy: -637.638638 where: bonds (distance) C4'-P energy: -126.268 bonds (distance) P-C4' energy: -140.135 flat angles C4'-P-C4' energy: -150.579 flat angles P-C4'-P energy: -82.781 tors. eta vs tors. theta energy: -137.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1338.831841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.831841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.831841 (E_RNA) where: Base-Base interactions energy: -824.820 where: short stacking energy: -358.816 Base-Backbone interact. energy: 1.612 local terms energy: -515.622995 where: bonds (distance) C4'-P energy: -127.950 bonds (distance) P-C4' energy: -143.390 flat angles C4'-P-C4' energy: -114.220 flat angles P-C4'-P energy: -88.623 tors. eta vs tors. theta energy: -41.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -919.757618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.757618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.757618 (E_RNA) where: Base-Base interactions energy: -433.480 where: short stacking energy: -243.267 Base-Backbone interact. energy: 2.970 local terms energy: -489.247823 where: bonds (distance) C4'-P energy: -147.220 bonds (distance) P-C4' energy: -138.523 flat angles C4'-P-C4' energy: -127.513 flat angles P-C4'-P energy: -79.124 tors. eta vs tors. theta energy: 3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -588.029999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.029999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.029999 (E_RNA) where: Base-Base interactions energy: -190.394 where: short stacking energy: -159.543 Base-Backbone interact. energy: -0.397 local terms energy: -397.239206 where: bonds (distance) C4'-P energy: -114.268 bonds (distance) P-C4' energy: -134.702 flat angles C4'-P-C4' energy: -107.089 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: 26.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2927.756206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.756206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.756206 (E_RNA) where: Base-Base interactions energy: -2010.702 where: short stacking energy: -855.168 Base-Backbone interact. energy: -6.427 local terms energy: -910.626881 where: bonds (distance) C4'-P energy: -167.696 bonds (distance) P-C4' energy: -153.409 flat angles C4'-P-C4' energy: -198.603 flat angles P-C4'-P energy: -139.108 tors. eta vs tors. theta energy: -251.811 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: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2796.509170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.509170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.509170 (E_RNA) where: Base-Base interactions energy: -1938.281 where: short stacking energy: -823.243 Base-Backbone interact. energy: -0.653 local terms energy: -857.575219 where: bonds (distance) C4'-P energy: -161.901 bonds (distance) P-C4' energy: -167.056 flat angles C4'-P-C4' energy: -182.332 flat angles P-C4'-P energy: -111.580 tors. eta vs tors. theta energy: -234.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2664.797356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.797356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.797356 (E_RNA) where: Base-Base interactions energy: -1789.068 where: short stacking energy: -751.421 Base-Backbone interact. energy: -0.302 local terms energy: -875.426570 where: bonds (distance) C4'-P energy: -154.796 bonds (distance) P-C4' energy: -170.698 flat angles C4'-P-C4' energy: -187.806 flat angles P-C4'-P energy: -134.360 tors. eta vs tors. theta energy: -227.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2519.996376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.996376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.996376 (E_RNA) where: Base-Base interactions energy: -1759.560 where: short stacking energy: -715.272 Base-Backbone interact. energy: 0.764 local terms energy: -761.200877 where: bonds (distance) C4'-P energy: -148.057 bonds (distance) P-C4' energy: -144.374 flat angles C4'-P-C4' energy: -177.826 flat angles P-C4'-P energy: -108.013 tors. eta vs tors. theta energy: -182.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2349.324152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.324152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.324152 (E_RNA) where: Base-Base interactions energy: -1590.207 where: short stacking energy: -731.687 Base-Backbone interact. energy: -4.140 local terms energy: -754.976285 where: bonds (distance) C4'-P energy: -140.690 bonds (distance) P-C4' energy: -141.483 flat angles C4'-P-C4' energy: -159.260 flat angles P-C4'-P energy: -112.104 tors. eta vs tors. theta energy: -201.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2025.515648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.515648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.515648 (E_RNA) where: Base-Base interactions energy: -1333.030 where: short stacking energy: -603.158 Base-Backbone interact. energy: 0.815 local terms energy: -693.300846 where: bonds (distance) C4'-P energy: -145.236 bonds (distance) P-C4' energy: -147.706 flat angles C4'-P-C4' energy: -144.736 flat angles P-C4'-P energy: -111.426 tors. eta vs tors. theta energy: -144.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1808.093774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.093774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.093774 (E_RNA) where: Base-Base interactions energy: -1132.745 where: short stacking energy: -528.555 Base-Backbone interact. energy: 2.419 local terms energy: -677.767534 where: bonds (distance) C4'-P energy: -122.103 bonds (distance) P-C4' energy: -160.377 flat angles C4'-P-C4' energy: -146.334 flat angles P-C4'-P energy: -99.708 tors. eta vs tors. theta energy: -149.245 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: 8, replica: 1 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1373.728037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.728037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.728037 (E_RNA) where: Base-Base interactions energy: -833.041 where: short stacking energy: -393.166 Base-Backbone interact. energy: 1.473 local terms energy: -542.159522 where: bonds (distance) C4'-P energy: -123.102 bonds (distance) P-C4' energy: -159.543 flat angles C4'-P-C4' energy: -134.620 flat angles P-C4'-P energy: -75.802 tors. eta vs tors. theta energy: -49.094 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: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -918.776302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.776302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.776302 (E_RNA) where: Base-Base interactions energy: -506.161 where: short stacking energy: -308.199 Base-Backbone interact. energy: 7.196 local terms energy: -419.811639 where: bonds (distance) C4'-P energy: -119.171 bonds (distance) P-C4' energy: -126.031 flat angles C4'-P-C4' energy: -92.399 flat angles P-C4'-P energy: -70.283 tors. eta vs tors. theta energy: -11.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -632.639631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.639631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.639631 (E_RNA) where: Base-Base interactions energy: -207.620 where: short stacking energy: -185.336 Base-Backbone interact. energy: 1.635 local terms energy: -426.654447 where: bonds (distance) C4'-P energy: -136.046 bonds (distance) P-C4' energy: -143.716 flat angles C4'-P-C4' energy: -101.739 flat angles P-C4'-P energy: -80.944 tors. eta vs tors. theta energy: 35.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2945.225202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.225202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.225202 (E_RNA) where: Base-Base interactions energy: -2083.922 where: short stacking energy: -876.516 Base-Backbone interact. energy: -5.412 local terms energy: -855.891128 where: bonds (distance) C4'-P energy: -152.442 bonds (distance) P-C4' energy: -158.150 flat angles C4'-P-C4' energy: -167.113 flat angles P-C4'-P energy: -124.546 tors. eta vs tors. theta energy: -253.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2788.597544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.597544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.597544 (E_RNA) where: Base-Base interactions energy: -1916.437 where: short stacking energy: -816.043 Base-Backbone interact. energy: -3.188 local terms energy: -868.972643 where: bonds (distance) C4'-P energy: -171.282 bonds (distance) P-C4' energy: -151.203 flat angles C4'-P-C4' energy: -185.513 flat angles P-C4'-P energy: -125.470 tors. eta vs tors. theta energy: -235.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2672.770534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.770534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.770534 (E_RNA) where: Base-Base interactions energy: -1834.591 where: short stacking energy: -766.589 Base-Backbone interact. energy: -3.604 local terms energy: -834.575237 where: bonds (distance) C4'-P energy: -168.724 bonds (distance) P-C4' energy: -148.082 flat angles C4'-P-C4' energy: -175.462 flat angles P-C4'-P energy: -116.160 tors. eta vs tors. theta energy: -226.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2485.214213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.214213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.214213 (E_RNA) where: Base-Base interactions energy: -1718.896 where: short stacking energy: -738.406 Base-Backbone interact. energy: 2.117 local terms energy: -768.435171 where: bonds (distance) C4'-P energy: -135.240 bonds (distance) P-C4' energy: -156.632 flat angles C4'-P-C4' energy: -166.267 flat angles P-C4'-P energy: -107.442 tors. eta vs tors. theta energy: -202.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2265.955206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.955206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.955206 (E_RNA) where: Base-Base interactions energy: -1509.612 where: short stacking energy: -674.550 Base-Backbone interact. energy: 1.186 local terms energy: -757.529316 where: bonds (distance) C4'-P energy: -151.127 bonds (distance) P-C4' energy: -145.336 flat angles C4'-P-C4' energy: -164.802 flat angles P-C4'-P energy: -110.791 tors. eta vs tors. theta energy: -185.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2076.245370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.245370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.245370 (E_RNA) where: Base-Base interactions energy: -1413.617 where: short stacking energy: -611.033 Base-Backbone interact. energy: 3.471 local terms energy: -666.099677 where: bonds (distance) C4'-P energy: -145.297 bonds (distance) P-C4' energy: -126.688 flat angles C4'-P-C4' energy: -135.690 flat angles P-C4'-P energy: -106.678 tors. eta vs tors. theta energy: -151.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1711.779713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.779713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.779713 (E_RNA) where: Base-Base interactions energy: -1059.775 where: short stacking energy: -461.569 Base-Backbone interact. energy: -1.258 local terms energy: -650.746830 where: bonds (distance) C4'-P energy: -133.073 bonds (distance) P-C4' energy: -150.126 flat angles C4'-P-C4' energy: -151.320 flat angles P-C4'-P energy: -101.817 tors. eta vs tors. theta energy: -114.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1401.339116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.339116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.339116 (E_RNA) where: Base-Base interactions energy: -865.323 where: short stacking energy: -395.839 Base-Backbone interact. energy: 0.974 local terms energy: -536.989588 where: bonds (distance) C4'-P energy: -136.770 bonds (distance) P-C4' energy: -141.611 flat angles C4'-P-C4' energy: -126.939 flat angles P-C4'-P energy: -72.449 tors. eta vs tors. theta energy: -59.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -913.777108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.777108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.777108 (E_RNA) where: Base-Base interactions energy: -452.297 where: short stacking energy: -271.996 Base-Backbone interact. energy: -0.173 local terms energy: -461.306240 where: bonds (distance) C4'-P energy: -130.062 bonds (distance) P-C4' energy: -130.667 flat angles C4'-P-C4' energy: -130.049 flat angles P-C4'-P energy: -66.311 tors. eta vs tors. theta energy: -4.216 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: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -615.385970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.385970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.385970 (E_RNA) where: Base-Base interactions energy: -191.297 where: short stacking energy: -162.419 Base-Backbone interact. energy: 4.528 local terms energy: -428.617173 where: bonds (distance) C4'-P energy: -140.175 bonds (distance) P-C4' energy: -144.660 flat angles C4'-P-C4' energy: -115.965 flat angles P-C4'-P energy: -61.310 tors. eta vs tors. theta energy: 33.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2928.645827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.645827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.645827 (E_RNA) where: Base-Base interactions energy: -2033.980 where: short stacking energy: -845.558 Base-Backbone interact. energy: -6.748 local terms energy: -887.917739 where: bonds (distance) C4'-P energy: -168.031 bonds (distance) P-C4' energy: -149.793 flat angles C4'-P-C4' energy: -185.696 flat angles P-C4'-P energy: -132.034 tors. eta vs tors. theta energy: -252.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2784.366681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.366681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.366681 (E_RNA) where: Base-Base interactions energy: -1914.083 where: short stacking energy: -813.917 Base-Backbone interact. energy: -2.754 local terms energy: -867.529370 where: bonds (distance) C4'-P energy: -163.249 bonds (distance) P-C4' energy: -161.380 flat angles C4'-P-C4' energy: -189.901 flat angles P-C4'-P energy: -122.027 tors. eta vs tors. theta energy: -230.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2679.260142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.260142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.260142 (E_RNA) where: Base-Base interactions energy: -1807.127 where: short stacking energy: -761.357 Base-Backbone interact. energy: -0.598 local terms energy: -871.535758 where: bonds (distance) C4'-P energy: -175.420 bonds (distance) P-C4' energy: -174.128 flat angles C4'-P-C4' energy: -182.603 flat angles P-C4'-P energy: -122.561 tors. eta vs tors. theta energy: -216.823 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: 6 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2496.945558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.945558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.945558 (E_RNA) where: Base-Base interactions energy: -1721.832 where: short stacking energy: -718.435 Base-Backbone interact. energy: -1.226 local terms energy: -773.887712 where: bonds (distance) C4'-P energy: -147.624 bonds (distance) P-C4' energy: -158.246 flat angles C4'-P-C4' energy: -167.824 flat angles P-C4'-P energy: -112.517 tors. eta vs tors. theta energy: -187.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2279.353526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.353526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.353526 (E_RNA) where: Base-Base interactions energy: -1511.976 where: short stacking energy: -677.132 Base-Backbone interact. energy: -4.168 local terms energy: -763.208963 where: bonds (distance) C4'-P energy: -157.849 bonds (distance) P-C4' energy: -152.814 flat angles C4'-P-C4' energy: -154.946 flat angles P-C4'-P energy: -116.968 tors. eta vs tors. theta energy: -180.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2061.511421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.511421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.511421 (E_RNA) where: Base-Base interactions energy: -1369.674 where: short stacking energy: -590.909 Base-Backbone interact. energy: 2.764 local terms energy: -694.601842 where: bonds (distance) C4'-P energy: -142.099 bonds (distance) P-C4' energy: -142.944 flat angles C4'-P-C4' energy: -166.550 flat angles P-C4'-P energy: -89.174 tors. eta vs tors. theta energy: -153.835 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: 7 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1766.172520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.172520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.172520 (E_RNA) where: Base-Base interactions energy: -1138.264 where: short stacking energy: -488.480 Base-Backbone interact. energy: -3.102 local terms energy: -624.807325 where: bonds (distance) C4'-P energy: -127.443 bonds (distance) P-C4' energy: -139.172 flat angles C4'-P-C4' energy: -146.465 flat angles P-C4'-P energy: -97.588 tors. eta vs tors. theta energy: -114.140 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: 1 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1300.876746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.876746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.876746 (E_RNA) where: Base-Base interactions energy: -770.616 where: short stacking energy: -341.204 Base-Backbone interact. energy: -1.633 local terms energy: -528.627838 where: bonds (distance) C4'-P energy: -143.962 bonds (distance) P-C4' energy: -142.101 flat angles C4'-P-C4' energy: -121.005 flat angles P-C4'-P energy: -76.360 tors. eta vs tors. theta energy: -45.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -878.764624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.764624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.764624 (E_RNA) where: Base-Base interactions energy: -410.109 where: short stacking energy: -239.821 Base-Backbone interact. energy: 2.534 local terms energy: -471.189415 where: bonds (distance) C4'-P energy: -128.839 bonds (distance) P-C4' energy: -142.320 flat angles C4'-P-C4' energy: -126.794 flat angles P-C4'-P energy: -62.942 tors. eta vs tors. theta energy: -10.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -614.898898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.898898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.898898 (E_RNA) where: Base-Base interactions energy: -192.429 where: short stacking energy: -160.292 Base-Backbone interact. energy: 6.192 local terms energy: -428.661888 where: bonds (distance) C4'-P energy: -131.856 bonds (distance) P-C4' energy: -142.158 flat angles C4'-P-C4' energy: -106.969 flat angles P-C4'-P energy: -80.433 tors. eta vs tors. theta energy: 32.753 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: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2928.439350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.439350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.439350 (E_RNA) where: Base-Base interactions energy: -2023.575 where: short stacking energy: -841.487 Base-Backbone interact. energy: -3.196 local terms energy: -901.668760 where: bonds (distance) C4'-P energy: -155.420 bonds (distance) P-C4' energy: -172.308 flat angles C4'-P-C4' energy: -183.272 flat angles P-C4'-P energy: -136.712 tors. eta vs tors. theta energy: -253.957 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: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2767.656362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.656362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.656362 (E_RNA) where: Base-Base interactions energy: -1908.991 where: short stacking energy: -772.965 Base-Backbone interact. energy: -3.326 local terms energy: -855.339011 where: bonds (distance) C4'-P energy: -161.286 bonds (distance) P-C4' energy: -165.172 flat angles C4'-P-C4' energy: -180.049 flat angles P-C4'-P energy: -124.532 tors. eta vs tors. theta energy: -224.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2661.463373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.463373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.463373 (E_RNA) where: Base-Base interactions energy: -1813.712 where: short stacking energy: -762.025 Base-Backbone interact. energy: -5.317 local terms energy: -842.434834 where: bonds (distance) C4'-P energy: -153.560 bonds (distance) P-C4' energy: -164.798 flat angles C4'-P-C4' energy: -169.793 flat angles P-C4'-P energy: -130.716 tors. eta vs tors. theta energy: -223.568 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: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2463.530901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.530901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.530901 (E_RNA) where: Base-Base interactions energy: -1684.387 where: short stacking energy: -721.422 Base-Backbone interact. energy: -3.752 local terms energy: -775.392258 where: bonds (distance) C4'-P energy: -134.485 bonds (distance) P-C4' energy: -160.576 flat angles C4'-P-C4' energy: -158.776 flat angles P-C4'-P energy: -123.956 tors. eta vs tors. theta energy: -197.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2241.768511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.768511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.768511 (E_RNA) where: Base-Base interactions energy: -1503.380 where: short stacking energy: -680.868 Base-Backbone interact. energy: 0.391 local terms energy: -738.778626 where: bonds (distance) C4'-P energy: -136.334 bonds (distance) P-C4' energy: -149.063 flat angles C4'-P-C4' energy: -162.169 flat angles P-C4'-P energy: -105.524 tors. eta vs tors. theta energy: -185.689 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: 8 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2032.627148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.627148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.627148 (E_RNA) where: Base-Base interactions energy: -1386.038 where: short stacking energy: -603.004 Base-Backbone interact. energy: -0.106 local terms energy: -646.483197 where: bonds (distance) C4'-P energy: -139.610 bonds (distance) P-C4' energy: -144.995 flat angles C4'-P-C4' energy: -138.694 flat angles P-C4'-P energy: -88.995 tors. eta vs tors. theta energy: -134.188 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: 7 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1805.649416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.649416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.649416 (E_RNA) where: Base-Base interactions energy: -1138.395 where: short stacking energy: -492.030 Base-Backbone interact. energy: -0.980 local terms energy: -666.273778 where: bonds (distance) C4'-P energy: -123.016 bonds (distance) P-C4' energy: -156.443 flat angles C4'-P-C4' energy: -145.724 flat angles P-C4'-P energy: -109.484 tors. eta vs tors. theta energy: -131.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1334.338422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.338422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.338422 (E_RNA) where: Base-Base interactions energy: -790.650 where: short stacking energy: -372.591 Base-Backbone interact. energy: 0.415 local terms energy: -544.102914 where: bonds (distance) C4'-P energy: -132.759 bonds (distance) P-C4' energy: -138.649 flat angles C4'-P-C4' energy: -146.035 flat angles P-C4'-P energy: -82.151 tors. eta vs tors. theta energy: -44.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -864.329806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.329806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.329806 (E_RNA) where: Base-Base interactions energy: -383.273 where: short stacking energy: -242.430 Base-Backbone interact. energy: 2.463 local terms energy: -483.519616 where: bonds (distance) C4'-P energy: -143.679 bonds (distance) P-C4' energy: -152.907 flat angles C4'-P-C4' energy: -102.816 flat angles P-C4'-P energy: -77.301 tors. eta vs tors. theta energy: -6.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -637.027630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.027630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.027630 (E_RNA) where: Base-Base interactions energy: -201.894 where: short stacking energy: -182.395 Base-Backbone interact. energy: -3.390 local terms energy: -431.742960 where: bonds (distance) C4'-P energy: -120.922 bonds (distance) P-C4' energy: -145.870 flat angles C4'-P-C4' energy: -107.989 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: 20.720 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: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2911.628540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.628540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.628540 (E_RNA) where: Base-Base interactions energy: -2013.488 where: short stacking energy: -831.478 Base-Backbone interact. energy: -4.695 local terms energy: -893.445496 where: bonds (distance) C4'-P energy: -157.768 bonds (distance) P-C4' energy: -156.132 flat angles C4'-P-C4' energy: -189.007 flat angles P-C4'-P energy: -131.417 tors. eta vs tors. theta energy: -259.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2765.323491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.323491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.323491 (E_RNA) where: Base-Base interactions energy: -1941.668 where: short stacking energy: -811.364 Base-Backbone interact. energy: -3.685 local terms energy: -819.970223 where: bonds (distance) C4'-P energy: -155.532 bonds (distance) P-C4' energy: -152.374 flat angles C4'-P-C4' energy: -179.282 flat angles P-C4'-P energy: -106.575 tors. eta vs tors. theta energy: -226.207 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: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2659.959069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.959069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.959069 (E_RNA) where: Base-Base interactions energy: -1840.900 where: short stacking energy: -772.228 Base-Backbone interact. energy: -4.594 local terms energy: -814.465068 where: bonds (distance) C4'-P energy: -144.998 bonds (distance) P-C4' energy: -164.701 flat angles C4'-P-C4' energy: -165.500 flat angles P-C4'-P energy: -107.115 tors. eta vs tors. theta energy: -232.151 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: 6 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2507.482250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.482250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.482250 (E_RNA) where: Base-Base interactions energy: -1715.905 where: short stacking energy: -705.942 Base-Backbone interact. energy: -3.105 local terms energy: -788.472563 where: bonds (distance) C4'-P energy: -150.898 bonds (distance) P-C4' energy: -147.361 flat angles C4'-P-C4' energy: -166.303 flat angles P-C4'-P energy: -109.128 tors. eta vs tors. theta energy: -214.784 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: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2239.854445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.854445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.854445 (E_RNA) where: Base-Base interactions energy: -1487.053 where: short stacking energy: -644.927 Base-Backbone interact. energy: -0.060 local terms energy: -752.741414 where: bonds (distance) C4'-P energy: -177.061 bonds (distance) P-C4' energy: -138.995 flat angles C4'-P-C4' energy: -152.191 flat angles P-C4'-P energy: -100.480 tors. eta vs tors. theta energy: -184.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2082.552015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.552015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.552015 (E_RNA) where: Base-Base interactions energy: -1392.688 where: short stacking energy: -616.331 Base-Backbone interact. energy: -0.960 local terms energy: -688.903998 where: bonds (distance) C4'-P energy: -144.979 bonds (distance) P-C4' energy: -135.226 flat angles C4'-P-C4' energy: -152.073 flat angles P-C4'-P energy: -105.855 tors. eta vs tors. theta energy: -150.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1826.274587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.274587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.274587 (E_RNA) where: Base-Base interactions energy: -1185.862 where: short stacking energy: -520.606 Base-Backbone interact. energy: -2.958 local terms energy: -637.454251 where: bonds (distance) C4'-P energy: -122.941 bonds (distance) P-C4' energy: -137.671 flat angles C4'-P-C4' energy: -156.726 flat angles P-C4'-P energy: -90.276 tors. eta vs tors. theta energy: -129.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1304.507083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.507083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.507083 (E_RNA) where: Base-Base interactions energy: -745.651 where: short stacking energy: -368.469 Base-Backbone interact. energy: -1.804 local terms energy: -557.051871 where: bonds (distance) C4'-P energy: -135.110 bonds (distance) P-C4' energy: -154.198 flat angles C4'-P-C4' energy: -136.624 flat angles P-C4'-P energy: -88.684 tors. eta vs tors. theta energy: -42.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -943.737319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.737319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.737319 (E_RNA) where: Base-Base interactions energy: -470.541 where: short stacking energy: -264.191 Base-Backbone interact. energy: 2.015 local terms energy: -475.211483 where: bonds (distance) C4'-P energy: -129.475 bonds (distance) P-C4' energy: -120.657 flat angles C4'-P-C4' energy: -125.713 flat angles P-C4'-P energy: -69.004 tors. eta vs tors. theta energy: -30.363 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: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -652.158159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.158159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.158159 (E_RNA) where: Base-Base interactions energy: -210.845 where: short stacking energy: -178.426 Base-Backbone interact. energy: -0.473 local terms energy: -440.839758 where: bonds (distance) C4'-P energy: -140.078 bonds (distance) P-C4' energy: -136.542 flat angles C4'-P-C4' energy: -122.917 flat angles P-C4'-P energy: -63.127 tors. eta vs tors. theta energy: 21.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2929.817104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.817104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.817104 (E_RNA) where: Base-Base interactions energy: -2034.058 where: short stacking energy: -865.654 Base-Backbone interact. energy: -5.363 local terms energy: -890.395998 where: bonds (distance) C4'-P energy: -160.144 bonds (distance) P-C4' energy: -163.042 flat angles C4'-P-C4' energy: -187.174 flat angles P-C4'-P energy: -131.426 tors. eta vs tors. theta energy: -248.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2744.317677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.317677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.317677 (E_RNA) where: Base-Base interactions energy: -1895.762 where: short stacking energy: -811.268 Base-Backbone interact. energy: -2.879 local terms energy: -845.676534 where: bonds (distance) C4'-P energy: -148.010 bonds (distance) P-C4' energy: -149.709 flat angles C4'-P-C4' energy: -192.440 flat angles P-C4'-P energy: -115.822 tors. eta vs tors. theta energy: -239.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2675.351376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.351376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.351376 (E_RNA) where: Base-Base interactions energy: -1839.120 where: short stacking energy: -759.687 Base-Backbone interact. energy: -2.695 local terms energy: -833.535523 where: bonds (distance) C4'-P energy: -141.510 bonds (distance) P-C4' energy: -158.741 flat angles C4'-P-C4' energy: -181.172 flat angles P-C4'-P energy: -121.527 tors. eta vs tors. theta energy: -230.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2479.116560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.116560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.116560 (E_RNA) where: Base-Base interactions energy: -1702.592 where: short stacking energy: -720.066 Base-Backbone interact. energy: -0.880 local terms energy: -775.644425 where: bonds (distance) C4'-P energy: -151.046 bonds (distance) P-C4' energy: -151.975 flat angles C4'-P-C4' energy: -175.797 flat angles P-C4'-P energy: -103.470 tors. eta vs tors. theta energy: -193.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2285.432722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.432722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.432722 (E_RNA) where: Base-Base interactions energy: -1518.926 where: short stacking energy: -684.225 Base-Backbone interact. energy: 0.872 local terms energy: -767.378042 where: bonds (distance) C4'-P energy: -152.737 bonds (distance) P-C4' energy: -140.721 flat angles C4'-P-C4' energy: -148.841 flat angles P-C4'-P energy: -139.396 tors. eta vs tors. theta energy: -185.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2079.678654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.678654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.678654 (E_RNA) where: Base-Base interactions energy: -1375.266 where: short stacking energy: -604.393 Base-Backbone interact. energy: -2.326 local terms energy: -702.086085 where: bonds (distance) C4'-P energy: -129.821 bonds (distance) P-C4' energy: -147.244 flat angles C4'-P-C4' energy: -182.651 flat angles P-C4'-P energy: -102.625 tors. eta vs tors. theta energy: -139.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1787.801404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.801404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.801404 (E_RNA) where: Base-Base interactions energy: -1119.642 where: short stacking energy: -498.770 Base-Backbone interact. energy: 1.931 local terms energy: -670.090680 where: bonds (distance) C4'-P energy: -146.939 bonds (distance) P-C4' energy: -169.550 flat angles C4'-P-C4' energy: -147.859 flat angles P-C4'-P energy: -76.868 tors. eta vs tors. theta energy: -128.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1292.947343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.947343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.947343 (E_RNA) where: Base-Base interactions energy: -788.391 where: short stacking energy: -367.058 Base-Backbone interact. energy: -3.421 local terms energy: -501.134839 where: bonds (distance) C4'-P energy: -121.862 bonds (distance) P-C4' energy: -141.188 flat angles C4'-P-C4' energy: -139.228 flat angles P-C4'-P energy: -63.808 tors. eta vs tors. theta energy: -35.048 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: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -838.220562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.220562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.220562 (E_RNA) where: Base-Base interactions energy: -387.221 where: short stacking energy: -249.187 Base-Backbone interact. energy: 1.010 local terms energy: -452.009514 where: bonds (distance) C4'-P energy: -136.985 bonds (distance) P-C4' energy: -149.039 flat angles C4'-P-C4' energy: -118.710 flat angles P-C4'-P energy: -50.018 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: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -668.423515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.423515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.423515 (E_RNA) where: Base-Base interactions energy: -246.612 where: short stacking energy: -172.071 Base-Backbone interact. energy: 1.812 local terms energy: -423.623966 where: bonds (distance) C4'-P energy: -120.170 bonds (distance) P-C4' energy: -140.832 flat angles C4'-P-C4' energy: -119.065 flat angles P-C4'-P energy: -65.453 tors. eta vs tors. theta energy: 21.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2915.575130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.575130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.575130 (E_RNA) where: Base-Base interactions energy: -2037.437 where: short stacking energy: -874.792 Base-Backbone interact. energy: -2.279 local terms energy: -875.858618 where: bonds (distance) C4'-P energy: -157.835 bonds (distance) P-C4' energy: -151.205 flat angles C4'-P-C4' energy: -193.708 flat angles P-C4'-P energy: -122.025 tors. eta vs tors. theta energy: -251.085 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: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2741.501656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.501656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.501656 (E_RNA) where: Base-Base interactions energy: -1883.173 where: short stacking energy: -802.037 Base-Backbone interact. energy: -3.360 local terms energy: -854.968425 where: bonds (distance) C4'-P energy: -152.667 bonds (distance) P-C4' energy: -158.593 flat angles C4'-P-C4' energy: -186.371 flat angles P-C4'-P energy: -130.616 tors. eta vs tors. theta energy: -226.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2691.520226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.520226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.520226 (E_RNA) where: Base-Base interactions energy: -1877.040 where: short stacking energy: -784.562 Base-Backbone interact. energy: -1.279 local terms energy: -813.200551 where: bonds (distance) C4'-P energy: -155.571 bonds (distance) P-C4' energy: -148.501 flat angles C4'-P-C4' energy: -180.722 flat angles P-C4'-P energy: -100.434 tors. eta vs tors. theta energy: -227.972 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: 314 Temperature: 1.050000 Total energy: -2455.292069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.292069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.292069 (E_RNA) where: Base-Base interactions energy: -1688.160 where: short stacking energy: -704.835 Base-Backbone interact. energy: -3.360 local terms energy: -763.771789 where: bonds (distance) C4'-P energy: -162.271 bonds (distance) P-C4' energy: -140.125 flat angles C4'-P-C4' energy: -167.163 flat angles P-C4'-P energy: -103.890 tors. eta vs tors. theta energy: -190.322 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: 9 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2234.576314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.576314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.576314 (E_RNA) where: Base-Base interactions energy: -1457.271 where: short stacking energy: -635.734 Base-Backbone interact. energy: -0.708 local terms energy: -776.597032 where: bonds (distance) C4'-P energy: -146.815 bonds (distance) P-C4' energy: -157.696 flat angles C4'-P-C4' energy: -168.650 flat angles P-C4'-P energy: -127.421 tors. eta vs tors. theta energy: -176.015 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: 6, replica: 8 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2089.717927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.717927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.717927 (E_RNA) where: Base-Base interactions energy: -1402.647 where: short stacking energy: -594.507 Base-Backbone interact. energy: 3.356 local terms energy: -690.427331 where: bonds (distance) C4'-P energy: -131.179 bonds (distance) P-C4' energy: -157.596 flat angles C4'-P-C4' energy: -167.068 flat angles P-C4'-P energy: -83.466 tors. eta vs tors. theta energy: -151.119 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: 7 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1801.522226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.522226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.522226 (E_RNA) where: Base-Base interactions energy: -1180.879 where: short stacking energy: -499.137 Base-Backbone interact. energy: -2.103 local terms energy: -618.539777 where: bonds (distance) C4'-P energy: -111.654 bonds (distance) P-C4' energy: -154.143 flat angles C4'-P-C4' energy: -141.547 flat angles P-C4'-P energy: -85.254 tors. eta vs tors. theta energy: -125.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1443.877620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.877620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.877620 (E_RNA) where: Base-Base interactions energy: -900.144 where: short stacking energy: -413.642 Base-Backbone interact. energy: 0.994 local terms energy: -544.727658 where: bonds (distance) C4'-P energy: -126.494 bonds (distance) P-C4' energy: -130.438 flat angles C4'-P-C4' energy: -119.021 flat angles P-C4'-P energy: -87.084 tors. eta vs tors. theta energy: -81.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -853.916232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.916232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.916232 (E_RNA) where: Base-Base interactions energy: -388.302 where: short stacking energy: -238.446 Base-Backbone interact. energy: -1.407 local terms energy: -464.207098 where: bonds (distance) C4'-P energy: -127.982 bonds (distance) P-C4' energy: -123.108 flat angles C4'-P-C4' energy: -120.678 flat angles P-C4'-P energy: -78.151 tors. eta vs tors. theta energy: -14.288 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: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -723.479520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.479520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.479520 (E_RNA) where: Base-Base interactions energy: -292.195 where: short stacking energy: -190.637 Base-Backbone interact. energy: 0.193 local terms energy: -431.477396 where: bonds (distance) C4'-P energy: -144.678 bonds (distance) P-C4' energy: -137.472 flat angles C4'-P-C4' energy: -108.294 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: 8.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2904.714257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.714257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.714257 (E_RNA) where: Base-Base interactions energy: -1986.384 where: short stacking energy: -845.293 Base-Backbone interact. energy: -4.184 local terms energy: -914.146108 where: bonds (distance) C4'-P energy: -170.517 bonds (distance) P-C4' energy: -172.810 flat angles C4'-P-C4' energy: -192.141 flat angles P-C4'-P energy: -124.211 tors. eta vs tors. theta energy: -254.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2749.442499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.442499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.442499 (E_RNA) where: Base-Base interactions energy: -1892.383 where: short stacking energy: -786.920 Base-Backbone interact. energy: -1.122 local terms energy: -855.936932 where: bonds (distance) C4'-P energy: -147.391 bonds (distance) P-C4' energy: -167.043 flat angles C4'-P-C4' energy: -185.721 flat angles P-C4'-P energy: -127.558 tors. eta vs tors. theta energy: -228.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2710.378735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.378735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.378735 (E_RNA) where: Base-Base interactions energy: -1877.826 where: short stacking energy: -795.137 Base-Backbone interact. energy: -1.920 local terms energy: -830.633236 where: bonds (distance) C4'-P energy: -145.142 bonds (distance) P-C4' energy: -141.909 flat angles C4'-P-C4' energy: -183.374 flat angles P-C4'-P energy: -111.407 tors. eta vs tors. theta energy: -248.801 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: 6 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2455.523672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.523672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.523672 (E_RNA) where: Base-Base interactions energy: -1675.784 where: short stacking energy: -689.411 Base-Backbone interact. energy: -4.815 local terms energy: -774.924839 where: bonds (distance) C4'-P energy: -150.685 bonds (distance) P-C4' energy: -154.670 flat angles C4'-P-C4' energy: -169.075 flat angles P-C4'-P energy: -114.299 tors. eta vs tors. theta energy: -186.196 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: 9 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2255.510573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.510573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.510573 (E_RNA) where: Base-Base interactions energy: -1487.879 where: short stacking energy: -659.018 Base-Backbone interact. energy: -1.875 local terms energy: -765.757214 where: bonds (distance) C4'-P energy: -125.548 bonds (distance) P-C4' energy: -152.622 flat angles C4'-P-C4' energy: -173.868 flat angles P-C4'-P energy: -120.710 tors. eta vs tors. theta energy: -193.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2078.483896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.483896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.483896 (E_RNA) where: Base-Base interactions energy: -1415.834 where: short stacking energy: -588.569 Base-Backbone interact. energy: -1.179 local terms energy: -661.471195 where: bonds (distance) C4'-P energy: -136.404 bonds (distance) P-C4' energy: -121.605 flat angles C4'-P-C4' energy: -155.765 flat angles P-C4'-P energy: -90.171 tors. eta vs tors. theta energy: -157.526 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: 7, replica: 7 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1851.860391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.860391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.860391 (E_RNA) where: Base-Base interactions energy: -1190.912 where: short stacking energy: -491.526 Base-Backbone interact. energy: 2.173 local terms energy: -663.122121 where: bonds (distance) C4'-P energy: -152.679 bonds (distance) P-C4' energy: -158.263 flat angles C4'-P-C4' energy: -130.351 flat angles P-C4'-P energy: -85.563 tors. eta vs tors. theta energy: -136.267 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: 1 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1342.405631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.405631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.405631 (E_RNA) where: Base-Base interactions energy: -784.901 where: short stacking energy: -398.016 Base-Backbone interact. energy: 0.488 local terms energy: -557.992794 where: bonds (distance) C4'-P energy: -133.674 bonds (distance) P-C4' energy: -154.581 flat angles C4'-P-C4' energy: -135.216 flat angles P-C4'-P energy: -74.792 tors. eta vs tors. theta energy: -59.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -835.496209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.496209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.496209 (E_RNA) where: Base-Base interactions energy: -400.465 where: short stacking energy: -262.720 Base-Backbone interact. energy: 1.894 local terms energy: -436.925289 where: bonds (distance) C4'-P energy: -126.396 bonds (distance) P-C4' energy: -125.488 flat angles C4'-P-C4' energy: -113.623 flat angles P-C4'-P energy: -68.286 tors. eta vs tors. theta energy: -3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -749.679729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.679729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.679729 (E_RNA) where: Base-Base interactions energy: -341.030 where: short stacking energy: -199.972 Base-Backbone interact. energy: 4.684 local terms energy: -413.333785 where: bonds (distance) C4'-P energy: -119.435 bonds (distance) P-C4' energy: -131.320 flat angles C4'-P-C4' energy: -133.436 flat angles P-C4'-P energy: -45.121 tors. eta vs tors. theta energy: 15.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2895.281228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.281228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.281228 (E_RNA) where: Base-Base interactions energy: -2024.530 where: short stacking energy: -852.968 Base-Backbone interact. energy: -3.568 local terms energy: -867.182483 where: bonds (distance) C4'-P energy: -146.128 bonds (distance) P-C4' energy: -181.406 flat angles C4'-P-C4' energy: -181.951 flat angles P-C4'-P energy: -107.748 tors. eta vs tors. theta energy: -249.949 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: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2775.004607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.004607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.004607 (E_RNA) where: Base-Base interactions energy: -1913.667 where: short stacking energy: -802.864 Base-Backbone interact. energy: -2.422 local terms energy: -858.916122 where: bonds (distance) C4'-P energy: -156.093 bonds (distance) P-C4' energy: -166.014 flat angles C4'-P-C4' energy: -176.048 flat angles P-C4'-P energy: -123.171 tors. eta vs tors. theta energy: -237.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2689.166397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.166397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.166397 (E_RNA) where: Base-Base interactions energy: -1866.440 where: short stacking energy: -775.715 Base-Backbone interact. energy: 2.528 local terms energy: -825.254665 where: bonds (distance) C4'-P energy: -160.202 bonds (distance) P-C4' energy: -145.332 flat angles C4'-P-C4' energy: -169.432 flat angles P-C4'-P energy: -113.498 tors. eta vs tors. theta energy: -236.791 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: 6 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2494.342635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.342635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.342635 (E_RNA) where: Base-Base interactions energy: -1686.824 where: short stacking energy: -717.607 Base-Backbone interact. energy: -5.784 local terms energy: -801.734967 where: bonds (distance) C4'-P energy: -140.844 bonds (distance) P-C4' energy: -156.724 flat angles C4'-P-C4' energy: -178.940 flat angles P-C4'-P energy: -117.393 tors. eta vs tors. theta energy: -207.834 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: 5, replica: 9 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2370.916777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.916777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.916777 (E_RNA) where: Base-Base interactions energy: -1597.885 where: short stacking energy: -677.273 Base-Backbone interact. energy: 1.846 local terms energy: -774.878096 where: bonds (distance) C4'-P energy: -130.380 bonds (distance) P-C4' energy: -142.625 flat angles C4'-P-C4' energy: -175.012 flat angles P-C4'-P energy: -111.554 tors. eta vs tors. theta energy: -215.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2164.624640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.624640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.624640 (E_RNA) where: Base-Base interactions energy: -1468.951 where: short stacking energy: -608.506 Base-Backbone interact. energy: -7.224 local terms energy: -688.449598 where: bonds (distance) C4'-P energy: -136.494 bonds (distance) P-C4' energy: -156.028 flat angles C4'-P-C4' energy: -150.227 flat angles P-C4'-P energy: -102.955 tors. eta vs tors. theta energy: -142.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1833.708322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.708322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.708322 (E_RNA) where: Base-Base interactions energy: -1179.721 where: short stacking energy: -530.044 Base-Backbone interact. energy: -2.859 local terms energy: -651.128618 where: bonds (distance) C4'-P energy: -132.165 bonds (distance) P-C4' energy: -150.473 flat angles C4'-P-C4' energy: -145.357 flat angles P-C4'-P energy: -87.067 tors. eta vs tors. theta energy: -136.066 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: 1 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1304.549951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.549951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.549951 (E_RNA) where: Base-Base interactions energy: -752.884 where: short stacking energy: -343.595 Base-Backbone interact. energy: -3.033 local terms energy: -548.632386 where: bonds (distance) C4'-P energy: -142.848 bonds (distance) P-C4' energy: -150.376 flat angles C4'-P-C4' energy: -128.903 flat angles P-C4'-P energy: -79.896 tors. eta vs tors. theta energy: -46.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -873.465308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.465308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.465308 (E_RNA) where: Base-Base interactions energy: -404.765 where: short stacking energy: -265.247 Base-Backbone interact. energy: -2.083 local terms energy: -466.617274 where: bonds (distance) C4'-P energy: -133.848 bonds (distance) P-C4' energy: -132.057 flat angles C4'-P-C4' energy: -118.858 flat angles P-C4'-P energy: -74.329 tors. eta vs tors. theta energy: -7.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -825.243476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.243476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.243476 (E_RNA) where: Base-Base interactions energy: -363.983 where: short stacking energy: -222.160 Base-Backbone interact. energy: 4.065 local terms energy: -465.325877 where: bonds (distance) C4'-P energy: -149.759 bonds (distance) P-C4' energy: -136.713 flat angles C4'-P-C4' energy: -129.127 flat angles P-C4'-P energy: -53.781 tors. eta vs tors. theta energy: 4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2917.195789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.195789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.195789 (E_RNA) where: Base-Base interactions energy: -2021.963 where: short stacking energy: -848.265 Base-Backbone interact. energy: -4.074 local terms energy: -891.159099 where: bonds (distance) C4'-P energy: -172.623 bonds (distance) P-C4' energy: -160.574 flat angles C4'-P-C4' energy: -175.872 flat angles P-C4'-P energy: -129.197 tors. eta vs tors. theta energy: -252.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2824.668709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.668709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.668709 (E_RNA) where: Base-Base interactions energy: -1936.439 where: short stacking energy: -819.031 Base-Backbone interact. energy: -3.364 local terms energy: -884.866162 where: bonds (distance) C4'-P energy: -159.156 bonds (distance) P-C4' energy: -167.404 flat angles C4'-P-C4' energy: -190.474 flat angles P-C4'-P energy: -126.298 tors. eta vs tors. theta energy: -241.535 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: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2720.392356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.392356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.392356 (E_RNA) where: Base-Base interactions energy: -1885.383 where: short stacking energy: -791.970 Base-Backbone interact. energy: -3.471 local terms energy: -831.538116 where: bonds (distance) C4'-P energy: -166.621 bonds (distance) P-C4' energy: -155.709 flat angles C4'-P-C4' energy: -174.144 flat angles P-C4'-P energy: -102.684 tors. eta vs tors. theta energy: -232.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2513.088168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.088168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.088168 (E_RNA) where: Base-Base interactions energy: -1720.415 where: short stacking energy: -720.099 Base-Backbone interact. energy: -4.338 local terms energy: -788.334843 where: bonds (distance) C4'-P energy: -160.958 bonds (distance) P-C4' energy: -141.966 flat angles C4'-P-C4' energy: -168.466 flat angles P-C4'-P energy: -111.407 tors. eta vs tors. theta energy: -205.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2362.327517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.327517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.327517 (E_RNA) where: Base-Base interactions energy: -1587.323 where: short stacking energy: -705.105 Base-Backbone interact. energy: 1.272 local terms energy: -776.276376 where: bonds (distance) C4'-P energy: -142.460 bonds (distance) P-C4' energy: -153.430 flat angles C4'-P-C4' energy: -165.793 flat angles P-C4'-P energy: -110.819 tors. eta vs tors. theta energy: -203.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2099.951728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.951728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.951728 (E_RNA) where: Base-Base interactions energy: -1376.109 where: short stacking energy: -600.558 Base-Backbone interact. energy: 1.210 local terms energy: -725.052607 where: bonds (distance) C4'-P energy: -150.007 bonds (distance) P-C4' energy: -150.570 flat angles C4'-P-C4' energy: -166.979 flat angles P-C4'-P energy: -105.643 tors. eta vs tors. theta energy: -151.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1885.556682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.556682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.556682 (E_RNA) where: Base-Base interactions energy: -1226.068 where: short stacking energy: -534.141 Base-Backbone interact. energy: 0.368 local terms energy: -659.856351 where: bonds (distance) C4'-P energy: -152.954 bonds (distance) P-C4' energy: -164.035 flat angles C4'-P-C4' energy: -142.998 flat angles P-C4'-P energy: -73.971 tors. eta vs tors. theta energy: -125.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1315.993020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.993020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.993020 (E_RNA) where: Base-Base interactions energy: -772.603 where: short stacking energy: -368.192 Base-Backbone interact. energy: 2.348 local terms energy: -545.738136 where: bonds (distance) C4'-P energy: -118.112 bonds (distance) P-C4' energy: -137.438 flat angles C4'-P-C4' energy: -160.036 flat angles P-C4'-P energy: -74.867 tors. eta vs tors. theta energy: -55.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -892.686148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.686148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.686148 (E_RNA) where: Base-Base interactions energy: -432.248 where: short stacking energy: -264.475 Base-Backbone interact. energy: -0.745 local terms energy: -459.693051 where: bonds (distance) C4'-P energy: -137.430 bonds (distance) P-C4' energy: -141.564 flat angles C4'-P-C4' energy: -118.724 flat angles P-C4'-P energy: -69.546 tors. eta vs tors. theta energy: 7.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -852.493255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.493255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.493255 (E_RNA) where: Base-Base interactions energy: -385.682 where: short stacking energy: -230.914 Base-Backbone interact. energy: 12.385 local terms energy: -479.196692 where: bonds (distance) C4'-P energy: -127.618 bonds (distance) P-C4' energy: -141.504 flat angles C4'-P-C4' energy: -126.606 flat angles P-C4'-P energy: -83.273 tors. eta vs tors. theta energy: -0.196 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: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2891.341913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.341913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.341913 (E_RNA) where: Base-Base interactions energy: -1996.526 where: short stacking energy: -853.668 Base-Backbone interact. energy: -3.012 local terms energy: -891.803760 where: bonds (distance) C4'-P energy: -157.201 bonds (distance) P-C4' energy: -182.092 flat angles C4'-P-C4' energy: -177.925 flat angles P-C4'-P energy: -128.252 tors. eta vs tors. theta energy: -246.335 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: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2789.104009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.104009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.104009 (E_RNA) where: Base-Base interactions energy: -1919.389 where: short stacking energy: -805.205 Base-Backbone interact. energy: -3.473 local terms energy: -866.241847 where: bonds (distance) C4'-P energy: -169.833 bonds (distance) P-C4' energy: -150.050 flat angles C4'-P-C4' energy: -178.426 flat angles P-C4'-P energy: -126.722 tors. eta vs tors. theta energy: -241.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2771.125383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.125383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.125383 (E_RNA) where: Base-Base interactions energy: -1939.876 where: short stacking energy: -801.493 Base-Backbone interact. energy: -3.559 local terms energy: -827.690958 where: bonds (distance) C4'-P energy: -146.758 bonds (distance) P-C4' energy: -143.745 flat angles C4'-P-C4' energy: -182.228 flat angles P-C4'-P energy: -109.567 tors. eta vs tors. theta energy: -245.393 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: 6 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2537.799501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.799501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.799501 (E_RNA) where: Base-Base interactions energy: -1752.678 where: short stacking energy: -729.947 Base-Backbone interact. energy: -4.940 local terms energy: -780.181143 where: bonds (distance) C4'-P energy: -141.097 bonds (distance) P-C4' energy: -151.237 flat angles C4'-P-C4' energy: -175.691 flat angles P-C4'-P energy: -120.858 tors. eta vs tors. theta energy: -191.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2342.937134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.937134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.937134 (E_RNA) where: Base-Base interactions energy: -1549.685 where: short stacking energy: -689.739 Base-Backbone interact. energy: -0.817 local terms energy: -792.434824 where: bonds (distance) C4'-P energy: -162.919 bonds (distance) P-C4' energy: -141.473 flat angles C4'-P-C4' energy: -172.237 flat angles P-C4'-P energy: -108.213 tors. eta vs tors. theta energy: -207.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2078.828470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.828470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.828470 (E_RNA) where: Base-Base interactions energy: -1397.863 where: short stacking energy: -590.030 Base-Backbone interact. energy: -3.372 local terms energy: -677.592937 where: bonds (distance) C4'-P energy: -135.344 bonds (distance) P-C4' energy: -145.196 flat angles C4'-P-C4' energy: -142.721 flat angles P-C4'-P energy: -105.974 tors. eta vs tors. theta energy: -148.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1865.689042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.689042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.689042 (E_RNA) where: Base-Base interactions energy: -1218.939 where: short stacking energy: -535.254 Base-Backbone interact. energy: -3.078 local terms energy: -643.672228 where: bonds (distance) C4'-P energy: -114.972 bonds (distance) P-C4' energy: -135.164 flat angles C4'-P-C4' energy: -160.295 flat angles P-C4'-P energy: -101.330 tors. eta vs tors. theta energy: -131.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1358.709122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.709122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.709122 (E_RNA) where: Base-Base interactions energy: -819.620 where: short stacking energy: -402.316 Base-Backbone interact. energy: 4.300 local terms energy: -543.389842 where: bonds (distance) C4'-P energy: -126.393 bonds (distance) P-C4' energy: -137.601 flat angles C4'-P-C4' energy: -131.843 flat angles P-C4'-P energy: -89.452 tors. eta vs tors. theta energy: -58.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -882.756316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.756316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.756316 (E_RNA) where: Base-Base interactions energy: -395.124 where: short stacking energy: -249.898 Base-Backbone interact. energy: 0.548 local terms energy: -488.180693 where: bonds (distance) C4'-P energy: -126.525 bonds (distance) P-C4' energy: -165.909 flat angles C4'-P-C4' energy: -112.185 flat angles P-C4'-P energy: -79.460 tors. eta vs tors. theta energy: -4.102 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: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -829.884619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.884619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.884619 (E_RNA) where: Base-Base interactions energy: -385.448 where: short stacking energy: -250.495 Base-Backbone interact. energy: -7.532 local terms energy: -436.904570 where: bonds (distance) C4'-P energy: -133.136 bonds (distance) P-C4' energy: -151.747 flat angles C4'-P-C4' energy: -114.914 flat angles P-C4'-P energy: -56.784 tors. eta vs tors. theta energy: 19.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2859.422342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.422342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.422342 (E_RNA) where: Base-Base interactions energy: -1969.578 where: short stacking energy: -802.102 Base-Backbone interact. energy: -5.798 local terms energy: -884.046830 where: bonds (distance) C4'-P energy: -162.429 bonds (distance) P-C4' energy: -179.449 flat angles C4'-P-C4' energy: -196.939 flat angles P-C4'-P energy: -120.654 tors. eta vs tors. theta energy: -224.576 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: 2, replica: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2779.718864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.718864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.718864 (E_RNA) where: Base-Base interactions energy: -1891.873 where: short stacking energy: -792.688 Base-Backbone interact. energy: -3.655 local terms energy: -884.190631 where: bonds (distance) C4'-P energy: -166.346 bonds (distance) P-C4' energy: -163.532 flat angles C4'-P-C4' energy: -189.388 flat angles P-C4'-P energy: -135.352 tors. eta vs tors. theta energy: -229.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2732.240685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.240685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.240685 (E_RNA) where: Base-Base interactions energy: -1892.618 where: short stacking energy: -774.562 Base-Backbone interact. energy: -3.452 local terms energy: -836.170736 where: bonds (distance) C4'-P energy: -150.155 bonds (distance) P-C4' energy: -147.445 flat angles C4'-P-C4' energy: -182.634 flat angles P-C4'-P energy: -119.994 tors. eta vs tors. theta energy: -235.943 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: 6 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2523.264836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.264836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.264836 (E_RNA) where: Base-Base interactions energy: -1747.260 where: short stacking energy: -721.092 Base-Backbone interact. energy: -4.193 local terms energy: -771.811756 where: bonds (distance) C4'-P energy: -153.731 bonds (distance) P-C4' energy: -150.256 flat angles C4'-P-C4' energy: -166.901 flat angles P-C4'-P energy: -103.109 tors. eta vs tors. theta energy: -197.814 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: 5, replica: 9 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2383.873403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.873403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.873403 (E_RNA) where: Base-Base interactions energy: -1601.367 where: short stacking energy: -702.292 Base-Backbone interact. energy: -0.510 local terms energy: -781.996100 where: bonds (distance) C4'-P energy: -145.675 bonds (distance) P-C4' energy: -149.026 flat angles C4'-P-C4' energy: -176.526 flat angles P-C4'-P energy: -95.840 tors. eta vs tors. theta energy: -214.929 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: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2040.937780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.937780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.937780 (E_RNA) where: Base-Base interactions energy: -1354.481 where: short stacking energy: -547.629 Base-Backbone interact. energy: -4.299 local terms energy: -682.156921 where: bonds (distance) C4'-P energy: -133.854 bonds (distance) P-C4' energy: -156.786 flat angles C4'-P-C4' energy: -164.700 flat angles P-C4'-P energy: -95.053 tors. eta vs tors. theta energy: -131.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1906.046864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.046864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.046864 (E_RNA) where: Base-Base interactions energy: -1226.210 where: short stacking energy: -532.921 Base-Backbone interact. energy: 1.725 local terms energy: -681.561994 where: bonds (distance) C4'-P energy: -134.267 bonds (distance) P-C4' energy: -144.277 flat angles C4'-P-C4' energy: -145.670 flat angles P-C4'-P energy: -110.842 tors. eta vs tors. theta energy: -146.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1346.798991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.798991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.798991 (E_RNA) where: Base-Base interactions energy: -800.038 where: short stacking energy: -378.751 Base-Backbone interact. energy: 0.481 local terms energy: -547.242726 where: bonds (distance) C4'-P energy: -149.468 bonds (distance) P-C4' energy: -129.020 flat angles C4'-P-C4' energy: -129.479 flat angles P-C4'-P energy: -85.258 tors. eta vs tors. theta energy: -54.018 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: 319 Temperature: 1.300000 Total energy: -864.428454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.428454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.428454 (E_RNA) where: Base-Base interactions energy: -397.410 where: short stacking energy: -238.383 Base-Backbone interact. energy: 2.452 local terms energy: -469.470374 where: bonds (distance) C4'-P energy: -123.904 bonds (distance) P-C4' energy: -145.317 flat angles C4'-P-C4' energy: -140.370 flat angles P-C4'-P energy: -69.953 tors. eta vs tors. theta energy: 10.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -827.224914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.224914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.224914 (E_RNA) where: Base-Base interactions energy: -381.121 where: short stacking energy: -203.567 Base-Backbone interact. energy: 8.838 local terms energy: -454.941793 where: bonds (distance) C4'-P energy: -127.859 bonds (distance) P-C4' energy: -145.862 flat angles C4'-P-C4' energy: -136.943 flat angles P-C4'-P energy: -67.513 tors. eta vs tors. theta energy: 23.236 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: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2873.691730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.691730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.691730 (E_RNA) where: Base-Base interactions energy: -1992.122 where: short stacking energy: -819.708 Base-Backbone interact. energy: -4.121 local terms energy: -877.448786 where: bonds (distance) C4'-P energy: -168.422 bonds (distance) P-C4' energy: -160.725 flat angles C4'-P-C4' energy: -187.598 flat angles P-C4'-P energy: -129.469 tors. eta vs tors. theta energy: -231.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2781.675844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.675844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.675844 (E_RNA) where: Base-Base interactions energy: -1921.621 where: short stacking energy: -790.258 Base-Backbone interact. energy: -8.175 local terms energy: -851.879655 where: bonds (distance) C4'-P energy: -143.506 bonds (distance) P-C4' energy: -163.954 flat angles C4'-P-C4' energy: -192.443 flat angles P-C4'-P energy: -120.729 tors. eta vs tors. theta energy: -231.247 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: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2713.698707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.698707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.698707 (E_RNA) where: Base-Base interactions energy: -1872.165 where: short stacking energy: -774.307 Base-Backbone interact. energy: 2.614 local terms energy: -844.148554 where: bonds (distance) C4'-P energy: -164.902 bonds (distance) P-C4' energy: -153.748 flat angles C4'-P-C4' energy: -170.140 flat angles P-C4'-P energy: -121.894 tors. eta vs tors. theta energy: -233.464 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: 4, replica: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2530.653504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.653504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.653504 (E_RNA) where: Base-Base interactions energy: -1761.056 where: short stacking energy: -715.604 Base-Backbone interact. energy: -3.065 local terms energy: -766.532474 where: bonds (distance) C4'-P energy: -139.955 bonds (distance) P-C4' energy: -158.009 flat angles C4'-P-C4' energy: -165.155 flat angles P-C4'-P energy: -98.162 tors. eta vs tors. theta energy: -205.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2381.968825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.968825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.968825 (E_RNA) where: Base-Base interactions energy: -1610.019 where: short stacking energy: -696.060 Base-Backbone interact. energy: -4.638 local terms energy: -767.312122 where: bonds (distance) C4'-P energy: -142.673 bonds (distance) P-C4' energy: -157.829 flat angles C4'-P-C4' energy: -170.693 flat angles P-C4'-P energy: -106.617 tors. eta vs tors. theta energy: -189.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2085.328993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.328993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.328993 (E_RNA) where: Base-Base interactions energy: -1375.102 where: short stacking energy: -575.600 Base-Backbone interact. energy: 2.093 local terms energy: -712.320052 where: bonds (distance) C4'-P energy: -130.321 bonds (distance) P-C4' energy: -165.054 flat angles C4'-P-C4' energy: -161.463 flat angles P-C4'-P energy: -105.379 tors. eta vs tors. theta energy: -150.104 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: 320 Temperature: 1.200000 Total energy: -1917.495615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.495615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.495615 (E_RNA) where: Base-Base interactions energy: -1276.281 where: short stacking energy: -539.672 Base-Backbone interact. energy: 0.073 local terms energy: -641.287149 where: bonds (distance) C4'-P energy: -143.228 bonds (distance) P-C4' energy: -129.990 flat angles C4'-P-C4' energy: -147.486 flat angles P-C4'-P energy: -91.695 tors. eta vs tors. theta energy: -128.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1340.212128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.212128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.212128 (E_RNA) where: Base-Base interactions energy: -798.337 where: short stacking energy: -385.480 Base-Backbone interact. energy: 9.096 local terms energy: -550.970734 where: bonds (distance) C4'-P energy: -131.256 bonds (distance) P-C4' energy: -150.354 flat angles C4'-P-C4' energy: -126.208 flat angles P-C4'-P energy: -81.708 tors. eta vs tors. theta energy: -61.444 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: 10 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -887.221820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.221820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.221820 (E_RNA) where: Base-Base interactions energy: -448.531 where: short stacking energy: -260.240 Base-Backbone interact. energy: 5.589 local terms energy: -444.280156 where: bonds (distance) C4'-P energy: -126.486 bonds (distance) P-C4' energy: -140.311 flat angles C4'-P-C4' energy: -124.926 flat angles P-C4'-P energy: -71.159 tors. eta vs tors. theta energy: 18.602 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: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -788.376891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.376891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.376891 (E_RNA) where: Base-Base interactions energy: -379.061 where: short stacking energy: -236.726 Base-Backbone interact. energy: 3.415 local terms energy: -412.730711 where: bonds (distance) C4'-P energy: -125.994 bonds (distance) P-C4' energy: -129.896 flat angles C4'-P-C4' energy: -107.523 flat angles P-C4'-P energy: -67.125 tors. eta vs tors. theta energy: 17.808 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: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2883.561100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.561100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.561100 (E_RNA) where: Base-Base interactions energy: -1997.401 where: short stacking energy: -853.512 Base-Backbone interact. energy: -4.233 local terms energy: -881.927256 where: bonds (distance) C4'-P energy: -160.693 bonds (distance) P-C4' energy: -156.698 flat angles C4'-P-C4' energy: -177.351 flat angles P-C4'-P energy: -142.693 tors. eta vs tors. theta energy: -244.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2785.528811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.528811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.528811 (E_RNA) where: Base-Base interactions energy: -1925.534 where: short stacking energy: -779.972 Base-Backbone interact. energy: -1.389 local terms energy: -858.605997 where: bonds (distance) C4'-P energy: -161.364 bonds (distance) P-C4' energy: -176.081 flat angles C4'-P-C4' energy: -175.396 flat angles P-C4'-P energy: -120.557 tors. eta vs tors. theta energy: -225.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2733.095085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.095085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.095085 (E_RNA) where: Base-Base interactions energy: -1895.521 where: short stacking energy: -786.120 Base-Backbone interact. energy: -2.758 local terms energy: -834.815883 where: bonds (distance) C4'-P energy: -143.637 bonds (distance) P-C4' energy: -162.504 flat angles C4'-P-C4' energy: -181.756 flat angles P-C4'-P energy: -119.187 tors. eta vs tors. theta energy: -227.732 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: 6 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2485.851559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.851559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.851559 (E_RNA) where: Base-Base interactions energy: -1722.888 where: short stacking energy: -716.661 Base-Backbone interact. energy: 1.520 local terms energy: -764.484131 where: bonds (distance) C4'-P energy: -144.002 bonds (distance) P-C4' energy: -149.050 flat angles C4'-P-C4' energy: -170.966 flat angles P-C4'-P energy: -98.722 tors. eta vs tors. theta energy: -201.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2382.854045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.854045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.854045 (E_RNA) where: Base-Base interactions energy: -1598.749 where: short stacking energy: -700.384 Base-Backbone interact. energy: -3.109 local terms energy: -780.995804 where: bonds (distance) C4'-P energy: -148.214 bonds (distance) P-C4' energy: -140.392 flat angles C4'-P-C4' energy: -170.207 flat angles P-C4'-P energy: -126.315 tors. eta vs tors. theta energy: -195.868 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: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2107.336895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.336895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.336895 (E_RNA) where: Base-Base interactions energy: -1395.554 where: short stacking energy: -569.468 Base-Backbone interact. energy: -3.048 local terms energy: -708.734476 where: bonds (distance) C4'-P energy: -144.753 bonds (distance) P-C4' energy: -151.484 flat angles C4'-P-C4' energy: -150.422 flat angles P-C4'-P energy: -115.516 tors. eta vs tors. theta energy: -146.559 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: 321 Temperature: 1.200000 Total energy: -1839.416262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.416262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.416262 (E_RNA) where: Base-Base interactions energy: -1188.838 where: short stacking energy: -496.204 Base-Backbone interact. energy: -3.307 local terms energy: -647.271674 where: bonds (distance) C4'-P energy: -122.088 bonds (distance) P-C4' energy: -155.952 flat angles C4'-P-C4' energy: -135.681 flat angles P-C4'-P energy: -104.680 tors. eta vs tors. theta energy: -128.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1359.586037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.586037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.586037 (E_RNA) where: Base-Base interactions energy: -815.614 where: short stacking energy: -372.706 Base-Backbone interact. energy: 2.677 local terms energy: -546.648882 where: bonds (distance) C4'-P energy: -108.885 bonds (distance) P-C4' energy: -134.283 flat angles C4'-P-C4' energy: -154.955 flat angles P-C4'-P energy: -82.935 tors. eta vs tors. theta energy: -65.591 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: 10 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -884.693767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.693767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.693767 (E_RNA) where: Base-Base interactions energy: -443.373 where: short stacking energy: -244.641 Base-Backbone interact. energy: -0.583 local terms energy: -440.738132 where: bonds (distance) C4'-P energy: -139.729 bonds (distance) P-C4' energy: -117.341 flat angles C4'-P-C4' energy: -120.802 flat angles P-C4'-P energy: -62.160 tors. eta vs tors. theta energy: -0.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -701.455348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.455348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.455348 (E_RNA) where: Base-Base interactions energy: -286.492 where: short stacking energy: -184.062 Base-Backbone interact. energy: 4.213 local terms energy: -419.176162 where: bonds (distance) C4'-P energy: -115.051 bonds (distance) P-C4' energy: -129.308 flat angles C4'-P-C4' energy: -118.893 flat angles P-C4'-P energy: -70.536 tors. eta vs tors. theta energy: 14.611 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: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2901.698678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.698678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.698678 (E_RNA) where: Base-Base interactions energy: -1999.879 where: short stacking energy: -839.848 Base-Backbone interact. energy: 3.442 local terms energy: -905.261141 where: bonds (distance) C4'-P energy: -176.871 bonds (distance) P-C4' energy: -169.127 flat angles C4'-P-C4' energy: -176.373 flat angles P-C4'-P energy: -137.317 tors. eta vs tors. theta energy: -245.574 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: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2830.783809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.783809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.783809 (E_RNA) where: Base-Base interactions energy: -1955.853 where: short stacking energy: -828.272 Base-Backbone interact. energy: -3.952 local terms energy: -870.979100 where: bonds (distance) C4'-P energy: -163.133 bonds (distance) P-C4' energy: -162.338 flat angles C4'-P-C4' energy: -180.694 flat angles P-C4'-P energy: -125.049 tors. eta vs tors. theta energy: -239.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2690.679267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.679267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.679267 (E_RNA) where: Base-Base interactions energy: -1812.121 where: short stacking energy: -768.751 Base-Backbone interact. energy: -1.460 local terms energy: -877.098428 where: bonds (distance) C4'-P energy: -168.533 bonds (distance) P-C4' energy: -177.953 flat angles C4'-P-C4' energy: -177.525 flat angles P-C4'-P energy: -129.313 tors. eta vs tors. theta energy: -223.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2502.073131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.073131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.073131 (E_RNA) where: Base-Base interactions energy: -1713.177 where: short stacking energy: -735.032 Base-Backbone interact. energy: 1.924 local terms energy: -790.819391 where: bonds (distance) C4'-P energy: -149.979 bonds (distance) P-C4' energy: -172.482 flat angles C4'-P-C4' energy: -169.243 flat angles P-C4'-P energy: -95.575 tors. eta vs tors. theta energy: -203.540 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: 9 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2332.953680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.953680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.953680 (E_RNA) where: Base-Base interactions energy: -1557.743 where: short stacking energy: -680.390 Base-Backbone interact. energy: -2.561 local terms energy: -772.649123 where: bonds (distance) C4'-P energy: -140.450 bonds (distance) P-C4' energy: -161.621 flat angles C4'-P-C4' energy: -169.123 flat angles P-C4'-P energy: -105.332 tors. eta vs tors. theta energy: -196.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2137.999522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.999522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.999522 (E_RNA) where: Base-Base interactions energy: -1450.950 where: short stacking energy: -628.451 Base-Backbone interact. energy: -5.244 local terms energy: -681.805009 where: bonds (distance) C4'-P energy: -137.336 bonds (distance) P-C4' energy: -146.122 flat angles C4'-P-C4' energy: -160.405 flat angles P-C4'-P energy: -84.534 tors. eta vs tors. theta energy: -153.408 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: 7 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1818.023254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.023254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.023254 (E_RNA) where: Base-Base interactions energy: -1192.750 where: short stacking energy: -494.205 Base-Backbone interact. energy: 2.485 local terms energy: -627.757976 where: bonds (distance) C4'-P energy: -131.271 bonds (distance) P-C4' energy: -126.632 flat angles C4'-P-C4' energy: -144.590 flat angles P-C4'-P energy: -86.375 tors. eta vs tors. theta energy: -138.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1422.529976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.529976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.529976 (E_RNA) where: Base-Base interactions energy: -878.180 where: short stacking energy: -425.928 Base-Backbone interact. energy: -1.008 local terms energy: -543.341659 where: bonds (distance) C4'-P energy: -139.322 bonds (distance) P-C4' energy: -119.129 flat angles C4'-P-C4' energy: -136.162 flat angles P-C4'-P energy: -72.039 tors. eta vs tors. theta energy: -76.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -884.214423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.214423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.214423 (E_RNA) where: Base-Base interactions energy: -402.092 where: short stacking energy: -267.806 Base-Backbone interact. energy: -3.177 local terms energy: -478.945765 where: bonds (distance) C4'-P energy: -144.423 bonds (distance) P-C4' energy: -155.948 flat angles C4'-P-C4' energy: -122.531 flat angles P-C4'-P energy: -56.603 tors. eta vs tors. theta energy: 0.559 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: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -717.906488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.906488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.906488 (E_RNA) where: Base-Base interactions energy: -323.751 where: short stacking energy: -227.493 Base-Backbone interact. energy: 3.326 local terms energy: -397.482076 where: bonds (distance) C4'-P energy: -120.652 bonds (distance) P-C4' energy: -138.960 flat angles C4'-P-C4' energy: -117.496 flat angles P-C4'-P energy: -42.357 tors. eta vs tors. theta energy: 21.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2873.782524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.782524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.782524 (E_RNA) where: Base-Base interactions energy: -2008.929 where: short stacking energy: -842.955 Base-Backbone interact. energy: -3.802 local terms energy: -861.051355 where: bonds (distance) C4'-P energy: -147.172 bonds (distance) P-C4' energy: -166.714 flat angles C4'-P-C4' energy: -190.208 flat angles P-C4'-P energy: -117.478 tors. eta vs tors. theta energy: -239.479 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: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2789.209661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.209661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.209661 (E_RNA) where: Base-Base interactions energy: -1907.589 where: short stacking energy: -796.835 Base-Backbone interact. energy: -0.845 local terms energy: -880.775734 where: bonds (distance) C4'-P energy: -165.671 bonds (distance) P-C4' energy: -165.252 flat angles C4'-P-C4' energy: -192.830 flat angles P-C4'-P energy: -125.780 tors. eta vs tors. theta energy: -231.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2718.524582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.524582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.524582 (E_RNA) where: Base-Base interactions energy: -1867.040 where: short stacking energy: -758.793 Base-Backbone interact. energy: 0.164 local terms energy: -851.648538 where: bonds (distance) C4'-P energy: -168.247 bonds (distance) P-C4' energy: -161.957 flat angles C4'-P-C4' energy: -174.823 flat angles P-C4'-P energy: -122.222 tors. eta vs tors. theta energy: -224.399 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: 4, replica: 6 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2530.532937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.532937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.532937 (E_RNA) where: Base-Base interactions energy: -1762.078 where: short stacking energy: -729.681 Base-Backbone interact. energy: -3.490 local terms energy: -764.965087 where: bonds (distance) C4'-P energy: -147.990 bonds (distance) P-C4' energy: -143.210 flat angles C4'-P-C4' energy: -166.306 flat angles P-C4'-P energy: -99.185 tors. eta vs tors. theta energy: -208.275 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: 5, replica: 9 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2270.906990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.906990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.906990 (E_RNA) where: Base-Base interactions energy: -1516.539 where: short stacking energy: -663.549 Base-Backbone interact. energy: -2.508 local terms energy: -751.860685 where: bonds (distance) C4'-P energy: -139.168 bonds (distance) P-C4' energy: -147.043 flat angles C4'-P-C4' energy: -165.086 flat angles P-C4'-P energy: -120.307 tors. eta vs tors. theta energy: -180.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2061.037058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.037058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.037058 (E_RNA) where: Base-Base interactions energy: -1399.399 where: short stacking energy: -584.538 Base-Backbone interact. energy: -5.503 local terms energy: -656.135491 where: bonds (distance) C4'-P energy: -130.310 bonds (distance) P-C4' energy: -125.948 flat angles C4'-P-C4' energy: -153.407 flat angles P-C4'-P energy: -96.099 tors. eta vs tors. theta energy: -150.371 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: 7 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1806.982700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.982700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.982700 (E_RNA) where: Base-Base interactions energy: -1177.420 where: short stacking energy: -527.592 Base-Backbone interact. energy: 3.428 local terms energy: -632.990744 where: bonds (distance) C4'-P energy: -127.275 bonds (distance) P-C4' energy: -151.161 flat angles C4'-P-C4' energy: -136.103 flat angles P-C4'-P energy: -91.879 tors. eta vs tors. theta energy: -126.574 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: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1479.178389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.178389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.178389 (E_RNA) where: Base-Base interactions energy: -918.718 where: short stacking energy: -419.308 Base-Backbone interact. energy: -3.129 local terms energy: -557.330937 where: bonds (distance) C4'-P energy: -134.383 bonds (distance) P-C4' energy: -146.993 flat angles C4'-P-C4' energy: -141.383 flat angles P-C4'-P energy: -74.966 tors. eta vs tors. theta energy: -59.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -880.271811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.271811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.271811 (E_RNA) where: Base-Base interactions energy: -427.320 where: short stacking energy: -231.377 Base-Backbone interact. energy: -2.762 local terms energy: -450.190299 where: bonds (distance) C4'-P energy: -125.252 bonds (distance) P-C4' energy: -144.694 flat angles C4'-P-C4' energy: -109.021 flat angles P-C4'-P energy: -81.991 tors. eta vs tors. theta energy: 10.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -731.836280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.836280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.836280 (E_RNA) where: Base-Base interactions energy: -326.533 where: short stacking energy: -245.092 Base-Backbone interact. energy: -0.044 local terms energy: -405.258611 where: bonds (distance) C4'-P energy: -127.682 bonds (distance) P-C4' energy: -129.468 flat angles C4'-P-C4' energy: -114.478 flat angles P-C4'-P energy: -42.778 tors. eta vs tors. theta energy: 9.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2861.422510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.422510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.422510 (E_RNA) where: Base-Base interactions energy: -1966.348 where: short stacking energy: -817.757 Base-Backbone interact. energy: -1.716 local terms energy: -893.358508 where: bonds (distance) C4'-P energy: -163.744 bonds (distance) P-C4' energy: -176.141 flat angles C4'-P-C4' energy: -186.093 flat angles P-C4'-P energy: -139.321 tors. eta vs tors. theta energy: -228.060 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: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2748.692942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.692942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.692942 (E_RNA) where: Base-Base interactions energy: -1921.004 where: short stacking energy: -780.113 Base-Backbone interact. energy: 1.447 local terms energy: -829.135366 where: bonds (distance) C4'-P energy: -146.236 bonds (distance) P-C4' energy: -168.907 flat angles C4'-P-C4' energy: -178.649 flat angles P-C4'-P energy: -120.413 tors. eta vs tors. theta energy: -214.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2705.310995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.310995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.310995 (E_RNA) where: Base-Base interactions energy: -1871.381 where: short stacking energy: -737.132 Base-Backbone interact. energy: -2.778 local terms energy: -831.151623 where: bonds (distance) C4'-P energy: -159.128 bonds (distance) P-C4' energy: -165.195 flat angles C4'-P-C4' energy: -179.105 flat angles P-C4'-P energy: -114.113 tors. eta vs tors. theta energy: -213.610 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: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2489.544662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.544662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.544662 (E_RNA) where: Base-Base interactions energy: -1678.163 where: short stacking energy: -688.996 Base-Backbone interact. energy: -1.486 local terms energy: -809.895588 where: bonds (distance) C4'-P energy: -150.097 bonds (distance) P-C4' energy: -155.974 flat angles C4'-P-C4' energy: -178.061 flat angles P-C4'-P energy: -119.050 tors. eta vs tors. theta energy: -206.714 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: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2320.631078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.631078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.631078 (E_RNA) where: Base-Base interactions energy: -1542.589 where: short stacking energy: -688.230 Base-Backbone interact. energy: -5.315 local terms energy: -772.727841 where: bonds (distance) C4'-P energy: -132.994 bonds (distance) P-C4' energy: -148.581 flat angles C4'-P-C4' energy: -173.989 flat angles P-C4'-P energy: -111.387 tors. eta vs tors. theta energy: -205.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2077.305460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.305460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.305460 (E_RNA) where: Base-Base interactions energy: -1391.498 where: short stacking energy: -592.144 Base-Backbone interact. energy: 2.278 local terms energy: -688.085355 where: bonds (distance) C4'-P energy: -129.215 bonds (distance) P-C4' energy: -154.549 flat angles C4'-P-C4' energy: -167.492 flat angles P-C4'-P energy: -99.955 tors. eta vs tors. theta energy: -136.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1852.205028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.205028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.205028 (E_RNA) where: Base-Base interactions energy: -1195.534 where: short stacking energy: -525.421 Base-Backbone interact. energy: -3.942 local terms energy: -652.728383 where: bonds (distance) C4'-P energy: -145.386 bonds (distance) P-C4' energy: -126.154 flat angles C4'-P-C4' energy: -161.493 flat angles P-C4'-P energy: -92.926 tors. eta vs tors. theta energy: -126.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1396.051384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.051384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.051384 (E_RNA) where: Base-Base interactions energy: -841.228 where: short stacking energy: -386.712 Base-Backbone interact. energy: 0.488 local terms energy: -555.311057 where: bonds (distance) C4'-P energy: -126.062 bonds (distance) P-C4' energy: -153.120 flat angles C4'-P-C4' energy: -120.582 flat angles P-C4'-P energy: -102.243 tors. eta vs tors. theta energy: -53.304 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: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -972.504978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.504978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.504978 (E_RNA) where: Base-Base interactions energy: -510.872 where: short stacking energy: -282.014 Base-Backbone interact. energy: 0.507 local terms energy: -462.140374 where: bonds (distance) C4'-P energy: -129.407 bonds (distance) P-C4' energy: -132.373 flat angles C4'-P-C4' energy: -106.932 flat angles P-C4'-P energy: -74.577 tors. eta vs tors. theta energy: -18.851 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: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -713.321428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.321428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.321428 (E_RNA) where: Base-Base interactions energy: -291.707 where: short stacking energy: -209.973 Base-Backbone interact. energy: 3.390 local terms energy: -425.004726 where: bonds (distance) C4'-P energy: -127.660 bonds (distance) P-C4' energy: -141.805 flat angles C4'-P-C4' energy: -123.659 flat angles P-C4'-P energy: -65.207 tors. eta vs tors. theta energy: 33.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2898.297334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.297334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.297334 (E_RNA) where: Base-Base interactions energy: -2027.348 where: short stacking energy: -835.215 Base-Backbone interact. energy: -2.881 local terms energy: -868.068489 where: bonds (distance) C4'-P energy: -174.325 bonds (distance) P-C4' energy: -154.250 flat angles C4'-P-C4' energy: -170.944 flat angles P-C4'-P energy: -129.147 tors. eta vs tors. theta energy: -239.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2757.773517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.773517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.773517 (E_RNA) where: Base-Base interactions energy: -1907.376 where: short stacking energy: -782.959 Base-Backbone interact. energy: -2.725 local terms energy: -847.672793 where: bonds (distance) C4'-P energy: -150.811 bonds (distance) P-C4' energy: -169.081 flat angles C4'-P-C4' energy: -184.150 flat angles P-C4'-P energy: -122.220 tors. eta vs tors. theta energy: -221.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2700.484616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.484616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.484616 (E_RNA) where: Base-Base interactions energy: -1878.592 where: short stacking energy: -760.074 Base-Backbone interact. energy: 0.587 local terms energy: -822.479105 where: bonds (distance) C4'-P energy: -146.162 bonds (distance) P-C4' energy: -151.484 flat angles C4'-P-C4' energy: -192.545 flat angles P-C4'-P energy: -108.854 tors. eta vs tors. theta energy: -223.434 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: 6 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2458.596680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.596680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.596680 (E_RNA) where: Base-Base interactions energy: -1663.300 where: short stacking energy: -713.205 Base-Backbone interact. energy: 1.942 local terms energy: -797.238324 where: bonds (distance) C4'-P energy: -156.044 bonds (distance) P-C4' energy: -151.945 flat angles C4'-P-C4' energy: -162.786 flat angles P-C4'-P energy: -123.497 tors. eta vs tors. theta energy: -202.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2313.888412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.888412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.888412 (E_RNA) where: Base-Base interactions energy: -1571.540 where: short stacking energy: -678.623 Base-Backbone interact. energy: -0.169 local terms energy: -742.179924 where: bonds (distance) C4'-P energy: -142.020 bonds (distance) P-C4' energy: -148.155 flat angles C4'-P-C4' energy: -154.720 flat angles P-C4'-P energy: -104.923 tors. eta vs tors. theta energy: -192.362 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: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2118.283482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.283482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.283482 (E_RNA) where: Base-Base interactions energy: -1434.627 where: short stacking energy: -608.605 Base-Backbone interact. energy: -0.523 local terms energy: -683.133547 where: bonds (distance) C4'-P energy: -143.939 bonds (distance) P-C4' energy: -135.346 flat angles C4'-P-C4' energy: -174.600 flat angles P-C4'-P energy: -78.563 tors. eta vs tors. theta energy: -150.686 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: 7, replica: 7 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1844.618717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.618717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.618717 (E_RNA) where: Base-Base interactions energy: -1190.970 where: short stacking energy: -531.538 Base-Backbone interact. energy: -1.221 local terms energy: -652.427042 where: bonds (distance) C4'-P energy: -133.493 bonds (distance) P-C4' energy: -150.778 flat angles C4'-P-C4' energy: -147.181 flat angles P-C4'-P energy: -96.852 tors. eta vs tors. theta energy: -124.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1374.842849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.842849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.842849 (E_RNA) where: Base-Base interactions energy: -827.886 where: short stacking energy: -397.855 Base-Backbone interact. energy: -2.959 local terms energy: -543.997968 where: bonds (distance) C4'-P energy: -121.957 bonds (distance) P-C4' energy: -147.297 flat angles C4'-P-C4' energy: -133.392 flat angles P-C4'-P energy: -80.651 tors. eta vs tors. theta energy: -60.701 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: 9, replica: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -900.201694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.201694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.201694 (E_RNA) where: Base-Base interactions energy: -452.212 where: short stacking energy: -252.259 Base-Backbone interact. energy: 0.786 local terms energy: -448.775890 where: bonds (distance) C4'-P energy: -123.318 bonds (distance) P-C4' energy: -149.789 flat angles C4'-P-C4' energy: -104.173 flat angles P-C4'-P energy: -75.508 tors. eta vs tors. theta energy: 4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -717.773344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.773344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.773344 (E_RNA) where: Base-Base interactions energy: -317.196 where: short stacking energy: -208.897 Base-Backbone interact. energy: 7.592 local terms energy: -408.168892 where: bonds (distance) C4'-P energy: -136.277 bonds (distance) P-C4' energy: -124.147 flat angles C4'-P-C4' energy: -136.748 flat angles P-C4'-P energy: -35.635 tors. eta vs tors. theta energy: 24.639 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: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2882.576436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.576436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.576436 (E_RNA) where: Base-Base interactions energy: -1990.677 where: short stacking energy: -831.133 Base-Backbone interact. energy: -1.870 local terms energy: -890.029801 where: bonds (distance) C4'-P energy: -165.843 bonds (distance) P-C4' energy: -165.721 flat angles C4'-P-C4' energy: -184.528 flat angles P-C4'-P energy: -130.497 tors. eta vs tors. theta energy: -243.442 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: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2773.183951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.183951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.183951 (E_RNA) where: Base-Base interactions energy: -1915.231 where: short stacking energy: -800.453 Base-Backbone interact. energy: -3.919 local terms energy: -854.034060 where: bonds (distance) C4'-P energy: -164.539 bonds (distance) P-C4' energy: -147.107 flat angles C4'-P-C4' energy: -192.139 flat angles P-C4'-P energy: -132.472 tors. eta vs tors. theta energy: -217.777 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: 326 Temperature: 1.000000 Total energy: -2701.399021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.399021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.399021 (E_RNA) where: Base-Base interactions energy: -1883.963 where: short stacking energy: -792.480 Base-Backbone interact. energy: -3.531 local terms energy: -813.905031 where: bonds (distance) C4'-P energy: -152.578 bonds (distance) P-C4' energy: -159.711 flat angles C4'-P-C4' energy: -185.740 flat angles P-C4'-P energy: -113.754 tors. eta vs tors. theta energy: -202.123 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: 6 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2492.623420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.623420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.623420 (E_RNA) where: Base-Base interactions energy: -1709.258 where: short stacking energy: -713.705 Base-Backbone interact. energy: -3.992 local terms energy: -779.373906 where: bonds (distance) C4'-P energy: -160.785 bonds (distance) P-C4' energy: -168.820 flat angles C4'-P-C4' energy: -157.947 flat angles P-C4'-P energy: -98.085 tors. eta vs tors. theta energy: -193.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2302.509376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.509376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.509376 (E_RNA) where: Base-Base interactions energy: -1543.928 where: short stacking energy: -702.587 Base-Backbone interact. energy: -3.008 local terms energy: -755.573228 where: bonds (distance) C4'-P energy: -140.107 bonds (distance) P-C4' energy: -149.698 flat angles C4'-P-C4' energy: -169.584 flat angles P-C4'-P energy: -104.009 tors. eta vs tors. theta energy: -192.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2105.631096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.631096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.631096 (E_RNA) where: Base-Base interactions energy: -1443.511 where: short stacking energy: -605.524 Base-Backbone interact. energy: -2.302 local terms energy: -659.817615 where: bonds (distance) C4'-P energy: -127.550 bonds (distance) P-C4' energy: -123.925 flat angles C4'-P-C4' energy: -171.402 flat angles P-C4'-P energy: -91.557 tors. eta vs tors. theta energy: -145.383 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: 7 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1845.079905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.079905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.079905 (E_RNA) where: Base-Base interactions energy: -1191.742 where: short stacking energy: -529.668 Base-Backbone interact. energy: -2.545 local terms energy: -650.792762 where: bonds (distance) C4'-P energy: -116.363 bonds (distance) P-C4' energy: -152.277 flat angles C4'-P-C4' energy: -148.705 flat angles P-C4'-P energy: -98.907 tors. eta vs tors. theta energy: -134.541 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: 8, replica: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1436.354568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.354568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.354568 (E_RNA) where: Base-Base interactions energy: -870.280 where: short stacking energy: -402.256 Base-Backbone interact. energy: -2.387 local terms energy: -563.688294 where: bonds (distance) C4'-P energy: -145.435 bonds (distance) P-C4' energy: -133.377 flat angles C4'-P-C4' energy: -138.323 flat angles P-C4'-P energy: -96.134 tors. eta vs tors. theta energy: -50.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -903.878772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.878772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.878772 (E_RNA) where: Base-Base interactions energy: -416.463 where: short stacking energy: -234.900 Base-Backbone interact. energy: 2.945 local terms energy: -490.361066 where: bonds (distance) C4'-P energy: -135.604 bonds (distance) P-C4' energy: -154.098 flat angles C4'-P-C4' energy: -130.553 flat angles P-C4'-P energy: -60.747 tors. eta vs tors. theta energy: -9.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -719.665448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.665448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.665448 (E_RNA) where: Base-Base interactions energy: -300.350 where: short stacking energy: -203.403 Base-Backbone interact. energy: 3.848 local terms energy: -423.162961 where: bonds (distance) C4'-P energy: -119.057 bonds (distance) P-C4' energy: -136.590 flat angles C4'-P-C4' energy: -127.018 flat angles P-C4'-P energy: -55.063 tors. eta vs tors. theta energy: 14.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2873.404953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.404953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.404953 (E_RNA) where: Base-Base interactions energy: -1980.116 where: short stacking energy: -841.893 Base-Backbone interact. energy: -1.640 local terms energy: -891.649576 where: bonds (distance) C4'-P energy: -176.392 bonds (distance) P-C4' energy: -166.489 flat angles C4'-P-C4' energy: -187.144 flat angles P-C4'-P energy: -122.496 tors. eta vs tors. theta energy: -239.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2812.764180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.764180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.764180 (E_RNA) where: Base-Base interactions energy: -1934.215 where: short stacking energy: -808.181 Base-Backbone interact. energy: -4.170 local terms energy: -874.378359 where: bonds (distance) C4'-P energy: -151.731 bonds (distance) P-C4' energy: -168.799 flat angles C4'-P-C4' energy: -187.953 flat angles P-C4'-P energy: -136.526 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: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2696.766667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.766667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.766667 (E_RNA) where: Base-Base interactions energy: -1866.631 where: short stacking energy: -748.295 Base-Backbone interact. energy: -5.985 local terms energy: -824.150903 where: bonds (distance) C4'-P energy: -163.350 bonds (distance) P-C4' energy: -155.235 flat angles C4'-P-C4' energy: -174.949 flat angles P-C4'-P energy: -118.445 tors. eta vs tors. theta energy: -212.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2483.573730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.573730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.573730 (E_RNA) where: Base-Base interactions energy: -1704.999 where: short stacking energy: -717.508 Base-Backbone interact. energy: 0.184 local terms energy: -778.758498 where: bonds (distance) C4'-P energy: -139.754 bonds (distance) P-C4' energy: -164.295 flat angles C4'-P-C4' energy: -173.428 flat angles P-C4'-P energy: -106.459 tors. eta vs tors. theta energy: -194.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2319.263856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.263856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.263856 (E_RNA) where: Base-Base interactions energy: -1568.834 where: short stacking energy: -683.246 Base-Backbone interact. energy: -0.013 local terms energy: -750.416794 where: bonds (distance) C4'-P energy: -118.637 bonds (distance) P-C4' energy: -132.279 flat angles C4'-P-C4' energy: -179.909 flat angles P-C4'-P energy: -106.908 tors. eta vs tors. theta energy: -212.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2121.148414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.148414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.148414 (E_RNA) where: Base-Base interactions energy: -1469.930 where: short stacking energy: -613.309 Base-Backbone interact. energy: 2.861 local terms energy: -654.079619 where: bonds (distance) C4'-P energy: -134.651 bonds (distance) P-C4' energy: -139.248 flat angles C4'-P-C4' energy: -152.680 flat angles P-C4'-P energy: -77.843 tors. eta vs tors. theta energy: -149.657 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: 7 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1868.358506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.358506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.358506 (E_RNA) where: Base-Base interactions energy: -1201.073 where: short stacking energy: -514.363 Base-Backbone interact. energy: 1.162 local terms energy: -668.448257 where: bonds (distance) C4'-P energy: -142.262 bonds (distance) P-C4' energy: -141.967 flat angles C4'-P-C4' energy: -152.662 flat angles P-C4'-P energy: -97.540 tors. eta vs tors. theta energy: -134.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1442.588987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.588987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.588987 (E_RNA) where: Base-Base interactions energy: -903.298 where: short stacking energy: -444.867 Base-Backbone interact. energy: -2.118 local terms energy: -537.173034 where: bonds (distance) C4'-P energy: -143.509 bonds (distance) P-C4' energy: -122.588 flat angles C4'-P-C4' energy: -137.075 flat angles P-C4'-P energy: -67.865 tors. eta vs tors. theta energy: -66.137 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: 9, replica: 10 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -899.993516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.993516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.993516 (E_RNA) where: Base-Base interactions energy: -432.787 where: short stacking energy: -267.326 Base-Backbone interact. energy: -2.428 local terms energy: -464.778795 where: bonds (distance) C4'-P energy: -122.331 bonds (distance) P-C4' energy: -145.536 flat angles C4'-P-C4' energy: -127.471 flat angles P-C4'-P energy: -62.287 tors. eta vs tors. theta energy: -7.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -758.416175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.416175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.416175 (E_RNA) where: Base-Base interactions energy: -360.868 where: short stacking energy: -210.243 Base-Backbone interact. energy: 0.305 local terms energy: -397.853408 where: bonds (distance) C4'-P energy: -115.777 bonds (distance) P-C4' energy: -114.262 flat angles C4'-P-C4' energy: -116.921 flat angles P-C4'-P energy: -66.684 tors. eta vs tors. theta energy: 15.791 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: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2887.354691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.354691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.354691 (E_RNA) where: Base-Base interactions energy: -1991.983 where: short stacking energy: -838.339 Base-Backbone interact. energy: -6.710 local terms energy: -888.662053 where: bonds (distance) C4'-P energy: -158.998 bonds (distance) P-C4' energy: -173.108 flat angles C4'-P-C4' energy: -186.842 flat angles P-C4'-P energy: -114.581 tors. eta vs tors. theta energy: -255.133 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: 2 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2829.093377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.093377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.093377 (E_RNA) where: Base-Base interactions energy: -1948.723 where: short stacking energy: -782.042 Base-Backbone interact. energy: -2.785 local terms energy: -877.585501 where: bonds (distance) C4'-P energy: -179.578 bonds (distance) P-C4' energy: -148.483 flat angles C4'-P-C4' energy: -194.134 flat angles P-C4'-P energy: -120.225 tors. eta vs tors. theta energy: -235.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2686.534402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.534402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.534402 (E_RNA) where: Base-Base interactions energy: -1868.416 where: short stacking energy: -750.559 Base-Backbone interact. energy: 0.533 local terms energy: -818.652086 where: bonds (distance) C4'-P energy: -155.363 bonds (distance) P-C4' energy: -139.337 flat angles C4'-P-C4' energy: -177.756 flat angles P-C4'-P energy: -125.314 tors. eta vs tors. theta energy: -220.882 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: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2508.503091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.503091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.503091 (E_RNA) where: Base-Base interactions energy: -1731.232 where: short stacking energy: -737.345 Base-Backbone interact. energy: -1.634 local terms energy: -775.637309 where: bonds (distance) C4'-P energy: -132.304 bonds (distance) P-C4' energy: -156.756 flat angles C4'-P-C4' energy: -165.938 flat angles P-C4'-P energy: -112.212 tors. eta vs tors. theta energy: -208.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2327.362626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.362626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.362626 (E_RNA) where: Base-Base interactions energy: -1565.435 where: short stacking energy: -670.421 Base-Backbone interact. energy: -3.022 local terms energy: -758.905579 where: bonds (distance) C4'-P energy: -138.086 bonds (distance) P-C4' energy: -152.663 flat angles C4'-P-C4' energy: -169.059 flat angles P-C4'-P energy: -97.236 tors. eta vs tors. theta energy: -201.861 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: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2125.746673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.746673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.746673 (E_RNA) where: Base-Base interactions energy: -1449.386 where: short stacking energy: -577.779 Base-Backbone interact. energy: -4.731 local terms energy: -671.630199 where: bonds (distance) C4'-P energy: -120.688 bonds (distance) P-C4' energy: -140.745 flat angles C4'-P-C4' energy: -153.136 flat angles P-C4'-P energy: -95.177 tors. eta vs tors. theta energy: -161.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1927.004141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.004141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.004141 (E_RNA) where: Base-Base interactions energy: -1270.409 where: short stacking energy: -529.533 Base-Backbone interact. energy: -3.816 local terms energy: -652.779480 where: bonds (distance) C4'-P energy: -139.481 bonds (distance) P-C4' energy: -124.966 flat angles C4'-P-C4' energy: -146.146 flat angles P-C4'-P energy: -101.874 tors. eta vs tors. theta energy: -140.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1409.576935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.576935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.576935 (E_RNA) where: Base-Base interactions energy: -833.258 where: short stacking energy: -385.474 Base-Backbone interact. energy: 0.763 local terms energy: -577.082238 where: bonds (distance) C4'-P energy: -122.241 bonds (distance) P-C4' energy: -151.162 flat angles C4'-P-C4' energy: -155.979 flat angles P-C4'-P energy: -79.548 tors. eta vs tors. theta energy: -68.153 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: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -856.656243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.656243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.656243 (E_RNA) where: Base-Base interactions energy: -398.758 where: short stacking energy: -240.065 Base-Backbone interact. energy: 9.227 local terms energy: -467.124662 where: bonds (distance) C4'-P energy: -145.762 bonds (distance) P-C4' energy: -153.323 flat angles C4'-P-C4' energy: -124.593 flat angles P-C4'-P energy: -60.844 tors. eta vs tors. theta energy: 17.398 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: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -736.672469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.672469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.672469 (E_RNA) where: Base-Base interactions energy: -300.763 where: short stacking energy: -181.505 Base-Backbone interact. energy: 4.308 local terms energy: -440.218014 where: bonds (distance) C4'-P energy: -131.200 bonds (distance) P-C4' energy: -154.517 flat angles C4'-P-C4' energy: -116.796 flat angles P-C4'-P energy: -52.900 tors. eta vs tors. theta energy: 15.196 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: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2858.582961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.582961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.582961 (E_RNA) where: Base-Base interactions energy: -1973.905 where: short stacking energy: -835.915 Base-Backbone interact. energy: -5.574 local terms energy: -879.104254 where: bonds (distance) C4'-P energy: -147.840 bonds (distance) P-C4' energy: -168.382 flat angles C4'-P-C4' energy: -189.511 flat angles P-C4'-P energy: -118.883 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: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2781.924582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.924582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.924582 (E_RNA) where: Base-Base interactions energy: -1957.766 where: short stacking energy: -794.609 Base-Backbone interact. energy: 3.431 local terms energy: -827.589120 where: bonds (distance) C4'-P energy: -147.354 bonds (distance) P-C4' energy: -147.420 flat angles C4'-P-C4' energy: -182.611 flat angles P-C4'-P energy: -114.503 tors. eta vs tors. theta energy: -235.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2725.103761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.103761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.103761 (E_RNA) where: Base-Base interactions energy: -1886.644 where: short stacking energy: -768.469 Base-Backbone interact. energy: -0.638 local terms energy: -837.821135 where: bonds (distance) C4'-P energy: -144.733 bonds (distance) P-C4' energy: -155.542 flat angles C4'-P-C4' energy: -188.845 flat angles P-C4'-P energy: -114.209 tors. eta vs tors. theta energy: -234.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2524.737377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.737377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.737377 (E_RNA) where: Base-Base interactions energy: -1751.765 where: short stacking energy: -717.524 Base-Backbone interact. energy: -3.960 local terms energy: -769.013106 where: bonds (distance) C4'-P energy: -168.717 bonds (distance) P-C4' energy: -147.119 flat angles C4'-P-C4' energy: -160.525 flat angles P-C4'-P energy: -91.299 tors. eta vs tors. theta energy: -201.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2400.612801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.612801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.612801 (E_RNA) where: Base-Base interactions energy: -1599.230 where: short stacking energy: -709.945 Base-Backbone interact. energy: -1.936 local terms energy: -799.447259 where: bonds (distance) C4'-P energy: -145.705 bonds (distance) P-C4' energy: -155.394 flat angles C4'-P-C4' energy: -170.112 flat angles P-C4'-P energy: -115.008 tors. eta vs tors. theta energy: -213.228 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: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2092.711867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.711867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.711867 (E_RNA) where: Base-Base interactions energy: -1379.018 where: short stacking energy: -568.241 Base-Backbone interact. energy: 0.928 local terms energy: -714.622100 where: bonds (distance) C4'-P energy: -146.168 bonds (distance) P-C4' energy: -141.476 flat angles C4'-P-C4' energy: -161.461 flat angles P-C4'-P energy: -100.965 tors. eta vs tors. theta energy: -164.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1890.974244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.974244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.974244 (E_RNA) where: Base-Base interactions energy: -1262.874 where: short stacking energy: -530.177 Base-Backbone interact. energy: -1.242 local terms energy: -626.858354 where: bonds (distance) C4'-P energy: -128.162 bonds (distance) P-C4' energy: -143.294 flat angles C4'-P-C4' energy: -142.198 flat angles P-C4'-P energy: -94.846 tors. eta vs tors. theta energy: -118.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1399.647532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.647532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.647532 (E_RNA) where: Base-Base interactions energy: -824.569 where: short stacking energy: -414.932 Base-Backbone interact. energy: -0.815 local terms energy: -574.262907 where: bonds (distance) C4'-P energy: -124.559 bonds (distance) P-C4' energy: -144.482 flat angles C4'-P-C4' energy: -148.467 flat angles P-C4'-P energy: -95.200 tors. eta vs tors. theta energy: -61.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -889.064553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.064553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.064553 (E_RNA) where: Base-Base interactions energy: -434.928 where: short stacking energy: -230.513 Base-Backbone interact. energy: 1.604 local terms energy: -455.740512 where: bonds (distance) C4'-P energy: -117.201 bonds (distance) P-C4' energy: -139.896 flat angles C4'-P-C4' energy: -119.829 flat angles P-C4'-P energy: -69.514 tors. eta vs tors. theta energy: -9.300 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: 10, replica: 3 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -742.073671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.073671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.073671 (E_RNA) where: Base-Base interactions energy: -314.469 where: short stacking energy: -198.391 Base-Backbone interact. energy: -1.311 local terms energy: -426.293608 where: bonds (distance) C4'-P energy: -138.097 bonds (distance) P-C4' energy: -136.991 flat angles C4'-P-C4' energy: -111.831 flat angles P-C4'-P energy: -71.275 tors. eta vs tors. theta energy: 31.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2887.134936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.134936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.134936 (E_RNA) where: Base-Base interactions energy: -1979.601 where: short stacking energy: -850.346 Base-Backbone interact. energy: -4.987 local terms energy: -902.546619 where: bonds (distance) C4'-P energy: -163.863 bonds (distance) P-C4' energy: -163.059 flat angles C4'-P-C4' energy: -186.146 flat angles P-C4'-P energy: -130.958 tors. eta vs tors. theta energy: -258.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2780.860417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.860417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.860417 (E_RNA) where: Base-Base interactions energy: -1909.084 where: short stacking energy: -799.205 Base-Backbone interact. energy: -0.775 local terms energy: -871.001185 where: bonds (distance) C4'-P energy: -183.241 bonds (distance) P-C4' energy: -153.697 flat angles C4'-P-C4' energy: -172.501 flat angles P-C4'-P energy: -129.380 tors. eta vs tors. theta energy: -232.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2724.559521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.559521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.559521 (E_RNA) where: Base-Base interactions energy: -1890.993 where: short stacking energy: -756.477 Base-Backbone interact. energy: 2.311 local terms energy: -835.876907 where: bonds (distance) C4'-P energy: -157.060 bonds (distance) P-C4' energy: -152.718 flat angles C4'-P-C4' energy: -176.458 flat angles P-C4'-P energy: -109.067 tors. eta vs tors. theta energy: -240.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2583.608394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.608394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.608394 (E_RNA) where: Base-Base interactions energy: -1769.460 where: short stacking energy: -735.547 Base-Backbone interact. energy: -5.137 local terms energy: -809.011274 where: bonds (distance) C4'-P energy: -155.631 bonds (distance) P-C4' energy: -165.139 flat angles C4'-P-C4' energy: -164.704 flat angles P-C4'-P energy: -123.582 tors. eta vs tors. theta energy: -199.956 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: 5, replica: 9 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2342.683025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.683025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.683025 (E_RNA) where: Base-Base interactions energy: -1602.712 where: short stacking energy: -691.599 Base-Backbone interact. energy: -4.279 local terms energy: -735.691208 where: bonds (distance) C4'-P energy: -140.713 bonds (distance) P-C4' energy: -116.279 flat angles C4'-P-C4' energy: -175.674 flat angles P-C4'-P energy: -106.962 tors. eta vs tors. theta energy: -196.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2085.244964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.244964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.244964 (E_RNA) where: Base-Base interactions energy: -1437.187 where: short stacking energy: -645.624 Base-Backbone interact. energy: -1.358 local terms energy: -646.699548 where: bonds (distance) C4'-P energy: -128.643 bonds (distance) P-C4' energy: -134.712 flat angles C4'-P-C4' energy: -134.545 flat angles P-C4'-P energy: -98.164 tors. eta vs tors. theta energy: -150.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1982.722320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.722320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.722320 (E_RNA) where: Base-Base interactions energy: -1312.398 where: short stacking energy: -582.469 Base-Backbone interact. energy: -0.377 local terms energy: -669.947871 where: bonds (distance) C4'-P energy: -125.612 bonds (distance) P-C4' energy: -139.973 flat angles C4'-P-C4' energy: -154.225 flat angles P-C4'-P energy: -105.536 tors. eta vs tors. theta energy: -144.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1355.111661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.111661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.111661 (E_RNA) where: Base-Base interactions energy: -804.592 where: short stacking energy: -341.239 Base-Backbone interact. energy: 2.210 local terms energy: -552.729705 where: bonds (distance) C4'-P energy: -140.150 bonds (distance) P-C4' energy: -130.724 flat angles C4'-P-C4' energy: -137.453 flat angles P-C4'-P energy: -80.358 tors. eta vs tors. theta energy: -64.044 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: 10 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -957.574581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.574581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.574581 (E_RNA) where: Base-Base interactions energy: -468.628 where: short stacking energy: -282.243 Base-Backbone interact. energy: 3.851 local terms energy: -492.798207 where: bonds (distance) C4'-P energy: -140.683 bonds (distance) P-C4' energy: -160.347 flat angles C4'-P-C4' energy: -119.772 flat angles P-C4'-P energy: -60.899 tors. eta vs tors. theta energy: -11.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -761.624811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.624811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.624811 (E_RNA) where: Base-Base interactions energy: -337.711 where: short stacking energy: -229.214 Base-Backbone interact. energy: 1.151 local terms energy: -425.065125 where: bonds (distance) C4'-P energy: -106.796 bonds (distance) P-C4' energy: -144.406 flat angles C4'-P-C4' energy: -115.679 flat angles P-C4'-P energy: -67.677 tors. eta vs tors. theta energy: 9.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2879.512697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.512697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.512697 (E_RNA) where: Base-Base interactions energy: -1977.476 where: short stacking energy: -840.999 Base-Backbone interact. energy: -4.773 local terms energy: -897.263552 where: bonds (distance) C4'-P energy: -169.164 bonds (distance) P-C4' energy: -173.358 flat angles C4'-P-C4' energy: -177.160 flat angles P-C4'-P energy: -128.734 tors. eta vs tors. theta energy: -248.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2790.747472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.747472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.747472 (E_RNA) where: Base-Base interactions energy: -1944.863 where: short stacking energy: -794.568 Base-Backbone interact. energy: -0.688 local terms energy: -845.196384 where: bonds (distance) C4'-P energy: -160.291 bonds (distance) P-C4' energy: -160.841 flat angles C4'-P-C4' energy: -174.721 flat angles P-C4'-P energy: -121.513 tors. eta vs tors. theta energy: -227.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2695.365572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.365572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.365572 (E_RNA) where: Base-Base interactions energy: -1880.332 where: short stacking energy: -764.080 Base-Backbone interact. energy: -0.552 local terms energy: -814.482221 where: bonds (distance) C4'-P energy: -169.779 bonds (distance) P-C4' energy: -143.881 flat angles C4'-P-C4' energy: -164.267 flat angles P-C4'-P energy: -116.328 tors. eta vs tors. theta energy: -220.226 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: 331 Temperature: 1.050000 Total energy: -2489.557351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.557351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.557351 (E_RNA) where: Base-Base interactions energy: -1689.154 where: short stacking energy: -697.075 Base-Backbone interact. energy: -4.095 local terms energy: -796.307771 where: bonds (distance) C4'-P energy: -172.924 bonds (distance) P-C4' energy: -144.960 flat angles C4'-P-C4' energy: -165.658 flat angles P-C4'-P energy: -124.613 tors. eta vs tors. theta energy: -188.153 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: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2322.718818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.718818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.718818 (E_RNA) where: Base-Base interactions energy: -1567.917 where: short stacking energy: -679.515 Base-Backbone interact. energy: -2.194 local terms energy: -752.606965 where: bonds (distance) C4'-P energy: -132.606 bonds (distance) P-C4' energy: -136.756 flat angles C4'-P-C4' energy: -177.089 flat angles P-C4'-P energy: -113.942 tors. eta vs tors. theta energy: -192.214 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: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2122.690930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.690930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.690930 (E_RNA) where: Base-Base interactions energy: -1408.436 where: short stacking energy: -631.399 Base-Backbone interact. energy: -1.124 local terms energy: -713.131177 where: bonds (distance) C4'-P energy: -126.962 bonds (distance) P-C4' energy: -127.288 flat angles C4'-P-C4' energy: -171.970 flat angles P-C4'-P energy: -119.331 tors. eta vs tors. theta energy: -167.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1930.427768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.427768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.427768 (E_RNA) where: Base-Base interactions energy: -1280.640 where: short stacking energy: -542.094 Base-Backbone interact. energy: -3.762 local terms energy: -646.025678 where: bonds (distance) C4'-P energy: -122.232 bonds (distance) P-C4' energy: -158.609 flat angles C4'-P-C4' energy: -141.919 flat angles P-C4'-P energy: -89.758 tors. eta vs tors. theta energy: -133.507 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: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1343.069602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.069602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.069602 (E_RNA) where: Base-Base interactions energy: -820.052 where: short stacking energy: -388.068 Base-Backbone interact. energy: -1.522 local terms energy: -521.495153 where: bonds (distance) C4'-P energy: -142.813 bonds (distance) P-C4' energy: -113.821 flat angles C4'-P-C4' energy: -116.388 flat angles P-C4'-P energy: -85.538 tors. eta vs tors. theta energy: -62.936 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: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -956.130201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.130201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.130201 (E_RNA) where: Base-Base interactions energy: -466.587 where: short stacking energy: -260.550 Base-Backbone interact. energy: -1.960 local terms energy: -487.583127 where: bonds (distance) C4'-P energy: -126.008 bonds (distance) P-C4' energy: -155.786 flat angles C4'-P-C4' energy: -106.597 flat angles P-C4'-P energy: -65.100 tors. eta vs tors. theta energy: -34.093 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: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -817.721969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.721969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.721969 (E_RNA) where: Base-Base interactions energy: -370.455 where: short stacking energy: -223.086 Base-Backbone interact. energy: -1.515 local terms energy: -445.752033 where: bonds (distance) C4'-P energy: -142.290 bonds (distance) P-C4' energy: -124.198 flat angles C4'-P-C4' energy: -114.473 flat angles P-C4'-P energy: -69.783 tors. eta vs tors. theta energy: 4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2901.872884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.872884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.872884 (E_RNA) where: Base-Base interactions energy: -2014.009 where: short stacking energy: -854.642 Base-Backbone interact. energy: -3.287 local terms energy: -884.576711 where: bonds (distance) C4'-P energy: -157.601 bonds (distance) P-C4' energy: -153.665 flat angles C4'-P-C4' energy: -190.968 flat angles P-C4'-P energy: -123.388 tors. eta vs tors. theta energy: -258.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2827.467076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.467076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.467076 (E_RNA) where: Base-Base interactions energy: -1948.956 where: short stacking energy: -807.874 Base-Backbone interact. energy: -1.953 local terms energy: -876.558283 where: bonds (distance) C4'-P energy: -159.267 bonds (distance) P-C4' energy: -165.073 flat angles C4'-P-C4' energy: -188.339 flat angles P-C4'-P energy: -118.415 tors. eta vs tors. theta energy: -245.465 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: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2681.460775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.460775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.460775 (E_RNA) where: Base-Base interactions energy: -1829.307 where: short stacking energy: -761.761 Base-Backbone interact. energy: -2.878 local terms energy: -849.275954 where: bonds (distance) C4'-P energy: -163.300 bonds (distance) P-C4' energy: -155.812 flat angles C4'-P-C4' energy: -177.110 flat angles P-C4'-P energy: -124.481 tors. eta vs tors. theta energy: -228.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2477.909264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.909264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.909264 (E_RNA) where: Base-Base interactions energy: -1708.997 where: short stacking energy: -714.129 Base-Backbone interact. energy: 5.026 local terms energy: -773.938356 where: bonds (distance) C4'-P energy: -136.239 bonds (distance) P-C4' energy: -169.873 flat angles C4'-P-C4' energy: -171.845 flat angles P-C4'-P energy: -103.879 tors. eta vs tors. theta energy: -192.103 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: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2350.939482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.939482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.939482 (E_RNA) where: Base-Base interactions energy: -1577.685 where: short stacking energy: -668.986 Base-Backbone interact. energy: -0.167 local terms energy: -773.087750 where: bonds (distance) C4'-P energy: -134.175 bonds (distance) P-C4' energy: -155.414 flat angles C4'-P-C4' energy: -183.584 flat angles P-C4'-P energy: -100.294 tors. eta vs tors. theta energy: -199.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2115.535474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.535474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.535474 (E_RNA) where: Base-Base interactions energy: -1397.710 where: short stacking energy: -592.943 Base-Backbone interact. energy: 2.511 local terms energy: -720.336946 where: bonds (distance) C4'-P energy: -152.920 bonds (distance) P-C4' energy: -146.406 flat angles C4'-P-C4' energy: -166.581 flat angles P-C4'-P energy: -101.332 tors. eta vs tors. theta energy: -153.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1900.462603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.462603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.462603 (E_RNA) where: Base-Base interactions energy: -1288.027 where: short stacking energy: -527.636 Base-Backbone interact. energy: -1.895 local terms energy: -610.540200 where: bonds (distance) C4'-P energy: -106.897 bonds (distance) P-C4' energy: -146.920 flat angles C4'-P-C4' energy: -149.190 flat angles P-C4'-P energy: -96.992 tors. eta vs tors. theta energy: -110.542 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: 1 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1361.449717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.449717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.449717 (E_RNA) where: Base-Base interactions energy: -824.857 where: short stacking energy: -354.421 Base-Backbone interact. energy: -2.809 local terms energy: -533.784159 where: bonds (distance) C4'-P energy: -131.243 bonds (distance) P-C4' energy: -152.896 flat angles C4'-P-C4' energy: -125.442 flat angles P-C4'-P energy: -83.768 tors. eta vs tors. theta energy: -40.434 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: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -888.162078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.162078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.162078 (E_RNA) where: Base-Base interactions energy: -419.292 where: short stacking energy: -244.746 Base-Backbone interact. energy: 0.078 local terms energy: -468.948615 where: bonds (distance) C4'-P energy: -131.074 bonds (distance) P-C4' energy: -149.125 flat angles C4'-P-C4' energy: -122.164 flat angles P-C4'-P energy: -57.288 tors. eta vs tors. theta energy: -9.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -781.990118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.990118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.990118 (E_RNA) where: Base-Base interactions energy: -393.425 where: short stacking energy: -231.868 Base-Backbone interact. energy: 4.518 local terms energy: -393.083055 where: bonds (distance) C4'-P energy: -109.957 bonds (distance) P-C4' energy: -119.429 flat angles C4'-P-C4' energy: -105.315 flat angles P-C4'-P energy: -60.080 tors. eta vs tors. theta energy: 1.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2915.595283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.595283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.595283 (E_RNA) where: Base-Base interactions energy: -1990.630 where: short stacking energy: -838.311 Base-Backbone interact. energy: -8.459 local terms energy: -916.506194 where: bonds (distance) C4'-P energy: -172.378 bonds (distance) P-C4' energy: -162.424 flat angles C4'-P-C4' energy: -192.765 flat angles P-C4'-P energy: -139.625 tors. eta vs tors. theta energy: -249.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2799.033946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.033946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.033946 (E_RNA) where: Base-Base interactions energy: -1917.943 where: short stacking energy: -812.074 Base-Backbone interact. energy: -4.097 local terms energy: -876.994082 where: bonds (distance) C4'-P energy: -166.502 bonds (distance) P-C4' energy: -162.230 flat angles C4'-P-C4' energy: -190.889 flat angles P-C4'-P energy: -126.795 tors. eta vs tors. theta energy: -230.579 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: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2735.369496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.369496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.369496 (E_RNA) where: Base-Base interactions energy: -1899.643 where: short stacking energy: -793.892 Base-Backbone interact. energy: -1.222 local terms energy: -834.503920 where: bonds (distance) C4'-P energy: -152.564 bonds (distance) P-C4' energy: -175.177 flat angles C4'-P-C4' energy: -160.389 flat angles P-C4'-P energy: -115.368 tors. eta vs tors. theta energy: -231.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2526.458695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.458695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.458695 (E_RNA) where: Base-Base interactions energy: -1755.787 where: short stacking energy: -724.452 Base-Backbone interact. energy: -4.048 local terms energy: -766.623579 where: bonds (distance) C4'-P energy: -159.148 bonds (distance) P-C4' energy: -141.507 flat angles C4'-P-C4' energy: -168.578 flat angles P-C4'-P energy: -99.141 tors. eta vs tors. theta energy: -198.250 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: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2367.040481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.040481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.040481 (E_RNA) where: Base-Base interactions energy: -1593.189 where: short stacking energy: -695.459 Base-Backbone interact. energy: -1.317 local terms energy: -772.535213 where: bonds (distance) C4'-P energy: -122.239 bonds (distance) P-C4' energy: -162.269 flat angles C4'-P-C4' energy: -176.885 flat angles P-C4'-P energy: -119.615 tors. eta vs tors. theta energy: -191.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2172.583292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.583292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.583292 (E_RNA) where: Base-Base interactions energy: -1447.721 where: short stacking energy: -626.002 Base-Backbone interact. energy: 2.223 local terms energy: -727.084910 where: bonds (distance) C4'-P energy: -137.655 bonds (distance) P-C4' energy: -144.852 flat angles C4'-P-C4' energy: -163.483 flat angles P-C4'-P energy: -99.203 tors. eta vs tors. theta energy: -181.892 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: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1905.425672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.425672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.425672 (E_RNA) where: Base-Base interactions energy: -1289.590 where: short stacking energy: -534.676 Base-Backbone interact. energy: -0.449 local terms energy: -615.386689 where: bonds (distance) C4'-P energy: -146.660 bonds (distance) P-C4' energy: -137.956 flat angles C4'-P-C4' energy: -129.058 flat angles P-C4'-P energy: -83.304 tors. eta vs tors. theta energy: -118.409 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: 1 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1369.032920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.032920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.032920 (E_RNA) where: Base-Base interactions energy: -838.061 where: short stacking energy: -391.574 Base-Backbone interact. energy: -4.460 local terms energy: -526.512151 where: bonds (distance) C4'-P energy: -124.933 bonds (distance) P-C4' energy: -153.575 flat angles C4'-P-C4' energy: -125.936 flat angles P-C4'-P energy: -74.311 tors. eta vs tors. theta energy: -47.757 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: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -896.566613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.566613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.566613 (E_RNA) where: Base-Base interactions energy: -427.959 where: short stacking energy: -237.617 Base-Backbone interact. energy: 0.154 local terms energy: -468.761532 where: bonds (distance) C4'-P energy: -147.576 bonds (distance) P-C4' energy: -129.178 flat angles C4'-P-C4' energy: -110.339 flat angles P-C4'-P energy: -84.687 tors. eta vs tors. theta energy: 3.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -725.219921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.219921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.219921 (E_RNA) where: Base-Base interactions energy: -313.994 where: short stacking energy: -206.571 Base-Backbone interact. energy: 0.040 local terms energy: -411.265258 where: bonds (distance) C4'-P energy: -128.281 bonds (distance) P-C4' energy: -124.955 flat angles C4'-P-C4' energy: -103.063 flat angles P-C4'-P energy: -75.576 tors. eta vs tors. theta energy: 20.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2914.878295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.878295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.878295 (E_RNA) where: Base-Base interactions energy: -1992.054 where: short stacking energy: -842.727 Base-Backbone interact. energy: -6.776 local terms energy: -916.047906 where: bonds (distance) C4'-P energy: -172.490 bonds (distance) P-C4' energy: -176.420 flat angles C4'-P-C4' energy: -197.259 flat angles P-C4'-P energy: -117.663 tors. eta vs tors. theta energy: -252.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2793.617776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.617776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.617776 (E_RNA) where: Base-Base interactions energy: -1911.211 where: short stacking energy: -795.202 Base-Backbone interact. energy: 1.236 local terms energy: -883.642354 where: bonds (distance) C4'-P energy: -166.542 bonds (distance) P-C4' energy: -167.864 flat angles C4'-P-C4' energy: -181.061 flat angles P-C4'-P energy: -129.099 tors. eta vs tors. theta energy: -239.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2750.598988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.598988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.598988 (E_RNA) where: Base-Base interactions energy: -1918.047 where: short stacking energy: -789.371 Base-Backbone interact. energy: -3.296 local terms energy: -829.255802 where: bonds (distance) C4'-P energy: -154.177 bonds (distance) P-C4' energy: -144.425 flat angles C4'-P-C4' energy: -182.543 flat angles P-C4'-P energy: -112.463 tors. eta vs tors. theta energy: -235.648 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: 6 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2530.457748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.457748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.457748 (E_RNA) where: Base-Base interactions energy: -1742.796 where: short stacking energy: -723.703 Base-Backbone interact. energy: -4.221 local terms energy: -783.441003 where: bonds (distance) C4'-P energy: -153.539 bonds (distance) P-C4' energy: -145.627 flat angles C4'-P-C4' energy: -175.684 flat angles P-C4'-P energy: -110.337 tors. eta vs tors. theta energy: -198.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2255.182819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.182819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.182819 (E_RNA) where: Base-Base interactions energy: -1523.925 where: short stacking energy: -667.339 Base-Backbone interact. energy: 9.299 local terms energy: -740.557250 where: bonds (distance) C4'-P energy: -160.282 bonds (distance) P-C4' energy: -132.612 flat angles C4'-P-C4' energy: -178.258 flat angles P-C4'-P energy: -94.764 tors. eta vs tors. theta energy: -174.642 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: 9 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2284.969739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.969739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.969739 (E_RNA) where: Base-Base interactions energy: -1525.636 where: short stacking energy: -650.730 Base-Backbone interact. energy: -1.610 local terms energy: -757.723673 where: bonds (distance) C4'-P energy: -131.504 bonds (distance) P-C4' energy: -151.995 flat angles C4'-P-C4' energy: -171.678 flat angles P-C4'-P energy: -109.541 tors. eta vs tors. theta energy: -193.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1875.786446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.786446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.786446 (E_RNA) where: Base-Base interactions energy: -1263.400 where: short stacking energy: -512.242 Base-Backbone interact. energy: 5.654 local terms energy: -618.040877 where: bonds (distance) C4'-P energy: -124.528 bonds (distance) P-C4' energy: -147.725 flat angles C4'-P-C4' energy: -143.728 flat angles P-C4'-P energy: -87.721 tors. eta vs tors. theta energy: -114.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1338.434449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.434449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.434449 (E_RNA) where: Base-Base interactions energy: -786.691 where: short stacking energy: -386.315 Base-Backbone interact. energy: 8.560 local terms energy: -560.303054 where: bonds (distance) C4'-P energy: -144.922 bonds (distance) P-C4' energy: -156.519 flat angles C4'-P-C4' energy: -131.284 flat angles P-C4'-P energy: -76.005 tors. eta vs tors. theta energy: -51.573 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: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -881.652557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.652557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.652557 (E_RNA) where: Base-Base interactions energy: -414.016 where: short stacking energy: -234.163 Base-Backbone interact. energy: -1.795 local terms energy: -465.841311 where: bonds (distance) C4'-P energy: -117.196 bonds (distance) P-C4' energy: -159.477 flat angles C4'-P-C4' energy: -133.148 flat angles P-C4'-P energy: -49.661 tors. eta vs tors. theta energy: -6.360 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: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -732.394827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.394827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.394827 (E_RNA) where: Base-Base interactions energy: -320.455 where: short stacking energy: -177.755 Base-Backbone interact. energy: -1.194 local terms energy: -410.745741 where: bonds (distance) C4'-P energy: -142.025 bonds (distance) P-C4' energy: -116.563 flat angles C4'-P-C4' energy: -90.081 flat angles P-C4'-P energy: -79.862 tors. eta vs tors. theta energy: 17.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2907.902230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.902230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.902230 (E_RNA) where: Base-Base interactions energy: -2002.703 where: short stacking energy: -840.915 Base-Backbone interact. energy: -4.263 local terms energy: -900.937090 where: bonds (distance) C4'-P energy: -158.179 bonds (distance) P-C4' energy: -166.491 flat angles C4'-P-C4' energy: -191.252 flat angles P-C4'-P energy: -136.869 tors. eta vs tors. theta energy: -248.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2817.595786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.595786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.595786 (E_RNA) where: Base-Base interactions energy: -1929.416 where: short stacking energy: -826.212 Base-Backbone interact. energy: 3.005 local terms energy: -891.184580 where: bonds (distance) C4'-P energy: -176.011 bonds (distance) P-C4' energy: -156.836 flat angles C4'-P-C4' energy: -193.832 flat angles P-C4'-P energy: -131.245 tors. eta vs tors. theta energy: -233.261 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: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2710.361757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.361757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.361757 (E_RNA) where: Base-Base interactions energy: -1889.849 where: short stacking energy: -754.198 Base-Backbone interact. energy: -3.844 local terms energy: -816.668388 where: bonds (distance) C4'-P energy: -144.794 bonds (distance) P-C4' energy: -143.355 flat angles C4'-P-C4' energy: -198.154 flat angles P-C4'-P energy: -113.015 tors. eta vs tors. theta energy: -217.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2514.211124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.211124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.211124 (E_RNA) where: Base-Base interactions energy: -1719.807 where: short stacking energy: -719.153 Base-Backbone interact. energy: -0.423 local terms energy: -793.980826 where: bonds (distance) C4'-P energy: -137.705 bonds (distance) P-C4' energy: -162.873 flat angles C4'-P-C4' energy: -188.249 flat angles P-C4'-P energy: -108.632 tors. eta vs tors. theta energy: -196.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2211.365331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.365331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.365331 (E_RNA) where: Base-Base interactions energy: -1453.351 where: short stacking energy: -640.006 Base-Backbone interact. energy: 4.848 local terms energy: -762.861828 where: bonds (distance) C4'-P energy: -151.158 bonds (distance) P-C4' energy: -138.050 flat angles C4'-P-C4' energy: -168.859 flat angles P-C4'-P energy: -125.733 tors. eta vs tors. theta energy: -179.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2243.462637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.462637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.462637 (E_RNA) where: Base-Base interactions energy: -1517.855 where: short stacking energy: -674.418 Base-Backbone interact. energy: -0.949 local terms energy: -724.658352 where: bonds (distance) C4'-P energy: -137.329 bonds (distance) P-C4' energy: -127.939 flat angles C4'-P-C4' energy: -169.661 flat angles P-C4'-P energy: -102.189 tors. eta vs tors. theta energy: -187.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1807.798647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.798647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.798647 (E_RNA) where: Base-Base interactions energy: -1171.924 where: short stacking energy: -493.448 Base-Backbone interact. energy: -0.293 local terms energy: -635.581899 where: bonds (distance) C4'-P energy: -147.739 bonds (distance) P-C4' energy: -151.842 flat angles C4'-P-C4' energy: -140.388 flat angles P-C4'-P energy: -91.185 tors. eta vs tors. theta energy: -104.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1338.476352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.476352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.476352 (E_RNA) where: Base-Base interactions energy: -800.095 where: short stacking energy: -363.516 Base-Backbone interact. energy: -1.670 local terms energy: -536.711795 where: bonds (distance) C4'-P energy: -140.120 bonds (distance) P-C4' energy: -131.401 flat angles C4'-P-C4' energy: -130.112 flat angles P-C4'-P energy: -88.265 tors. eta vs tors. theta energy: -46.814 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: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -880.884282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.884282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.884282 (E_RNA) where: Base-Base interactions energy: -409.228 where: short stacking energy: -233.630 Base-Backbone interact. energy: 3.052 local terms energy: -474.707809 where: bonds (distance) C4'-P energy: -142.121 bonds (distance) P-C4' energy: -141.717 flat angles C4'-P-C4' energy: -132.349 flat angles P-C4'-P energy: -68.806 tors. eta vs tors. theta energy: 10.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -714.526808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.526808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.526808 (E_RNA) where: Base-Base interactions energy: -323.109 where: short stacking energy: -221.190 Base-Backbone interact. energy: 6.719 local terms energy: -398.136355 where: bonds (distance) C4'-P energy: -133.802 bonds (distance) P-C4' energy: -113.615 flat angles C4'-P-C4' energy: -126.710 flat angles P-C4'-P energy: -51.189 tors. eta vs tors. theta energy: 27.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2850.076884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.076884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.076884 (E_RNA) where: Base-Base interactions energy: -1948.470 where: short stacking energy: -826.099 Base-Backbone interact. energy: -1.308 local terms energy: -900.298923 where: bonds (distance) C4'-P energy: -164.130 bonds (distance) P-C4' energy: -168.062 flat angles C4'-P-C4' energy: -187.859 flat angles P-C4'-P energy: -140.097 tors. eta vs tors. theta energy: -240.150 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: 4 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2880.801805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.801805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.801805 (E_RNA) where: Base-Base interactions energy: -1995.158 where: short stacking energy: -864.213 Base-Backbone interact. energy: -4.150 local terms energy: -881.493822 where: bonds (distance) C4'-P energy: -160.266 bonds (distance) P-C4' energy: -154.982 flat angles C4'-P-C4' energy: -177.244 flat angles P-C4'-P energy: -139.117 tors. eta vs tors. theta energy: -249.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2688.220925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.220925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.220925 (E_RNA) where: Base-Base interactions energy: -1854.380 where: short stacking energy: -780.105 Base-Backbone interact. energy: -1.686 local terms energy: -832.154441 where: bonds (distance) C4'-P energy: -158.658 bonds (distance) P-C4' energy: -155.286 flat angles C4'-P-C4' energy: -174.092 flat angles P-C4'-P energy: -124.014 tors. eta vs tors. theta energy: -220.104 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: 336 Temperature: 1.050000 Total energy: -2472.092617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.092617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.092617 (E_RNA) where: Base-Base interactions energy: -1708.931 where: short stacking energy: -749.950 Base-Backbone interact. energy: -4.502 local terms energy: -758.659084 where: bonds (distance) C4'-P energy: -137.613 bonds (distance) P-C4' energy: -148.045 flat angles C4'-P-C4' energy: -176.579 flat angles P-C4'-P energy: -101.109 tors. eta vs tors. theta energy: -195.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2397.653640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.653640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.653640 (E_RNA) where: Base-Base interactions energy: -1625.508 where: short stacking energy: -722.243 Base-Backbone interact. energy: -7.261 local terms energy: -764.884750 where: bonds (distance) C4'-P energy: -133.531 bonds (distance) P-C4' energy: -140.792 flat angles C4'-P-C4' energy: -147.381 flat angles P-C4'-P energy: -119.006 tors. eta vs tors. theta energy: -224.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2155.090050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.090050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.090050 (E_RNA) where: Base-Base interactions energy: -1420.236 where: short stacking energy: -595.489 Base-Backbone interact. energy: -2.455 local terms energy: -732.399047 where: bonds (distance) C4'-P energy: -150.555 bonds (distance) P-C4' energy: -131.728 flat angles C4'-P-C4' energy: -155.572 flat angles P-C4'-P energy: -121.288 tors. eta vs tors. theta energy: -173.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1835.765983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.765983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.765983 (E_RNA) where: Base-Base interactions energy: -1213.074 where: short stacking energy: -502.847 Base-Backbone interact. energy: -2.026 local terms energy: -620.665841 where: bonds (distance) C4'-P energy: -126.383 bonds (distance) P-C4' energy: -128.136 flat angles C4'-P-C4' energy: -155.828 flat angles P-C4'-P energy: -89.862 tors. eta vs tors. theta energy: -120.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1296.424500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.424500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.424500 (E_RNA) where: Base-Base interactions energy: -781.639 where: short stacking energy: -367.279 Base-Backbone interact. energy: -1.622 local terms energy: -513.163306 where: bonds (distance) C4'-P energy: -137.657 bonds (distance) P-C4' energy: -122.835 flat angles C4'-P-C4' energy: -123.350 flat angles P-C4'-P energy: -92.127 tors. eta vs tors. theta energy: -37.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -814.231186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.231186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.231186 (E_RNA) where: Base-Base interactions energy: -383.261 where: short stacking energy: -241.449 Base-Backbone interact. energy: -2.036 local terms energy: -428.934155 where: bonds (distance) C4'-P energy: -128.332 bonds (distance) P-C4' energy: -129.315 flat angles C4'-P-C4' energy: -108.726 flat angles P-C4'-P energy: -71.919 tors. eta vs tors. theta energy: 9.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -759.891684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.891684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.891684 (E_RNA) where: Base-Base interactions energy: -308.549 where: short stacking energy: -187.557 Base-Backbone interact. energy: -4.404 local terms energy: -446.938283 where: bonds (distance) C4'-P energy: -128.600 bonds (distance) P-C4' energy: -139.295 flat angles C4'-P-C4' energy: -132.101 flat angles P-C4'-P energy: -67.353 tors. eta vs tors. theta energy: 20.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2854.557066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.557066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.557066 (E_RNA) where: Base-Base interactions energy: -1955.698 where: short stacking energy: -845.106 Base-Backbone interact. energy: -2.940 local terms energy: -895.919660 where: bonds (distance) C4'-P energy: -163.811 bonds (distance) P-C4' energy: -177.726 flat angles C4'-P-C4' energy: -186.092 flat angles P-C4'-P energy: -128.596 tors. eta vs tors. theta energy: -239.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2888.828408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.828408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.828408 (E_RNA) where: Base-Base interactions energy: -1983.812 where: short stacking energy: -808.227 Base-Backbone interact. energy: -5.509 local terms energy: -899.507464 where: bonds (distance) C4'-P energy: -165.846 bonds (distance) P-C4' energy: -170.792 flat angles C4'-P-C4' energy: -188.621 flat angles P-C4'-P energy: -127.856 tors. eta vs tors. theta energy: -246.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2678.981600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.981600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.981600 (E_RNA) where: Base-Base interactions energy: -1899.425 where: short stacking energy: -782.166 Base-Backbone interact. energy: -2.333 local terms energy: -777.223370 where: bonds (distance) C4'-P energy: -138.226 bonds (distance) P-C4' energy: -149.681 flat angles C4'-P-C4' energy: -163.339 flat angles P-C4'-P energy: -99.839 tors. eta vs tors. theta energy: -226.138 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: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2470.836756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.836756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.836756 (E_RNA) where: Base-Base interactions energy: -1684.187 where: short stacking energy: -758.061 Base-Backbone interact. energy: -2.071 local terms energy: -784.578543 where: bonds (distance) C4'-P energy: -149.221 bonds (distance) P-C4' energy: -131.393 flat angles C4'-P-C4' energy: -175.521 flat angles P-C4'-P energy: -110.562 tors. eta vs tors. theta energy: -217.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2390.853681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.853681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.853681 (E_RNA) where: Base-Base interactions energy: -1612.742 where: short stacking energy: -683.877 Base-Backbone interact. energy: -3.407 local terms energy: -774.704707 where: bonds (distance) C4'-P energy: -136.730 bonds (distance) P-C4' energy: -151.697 flat angles C4'-P-C4' energy: -176.391 flat angles P-C4'-P energy: -115.103 tors. eta vs tors. theta energy: -194.783 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: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2125.523355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.523355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.523355 (E_RNA) where: Base-Base interactions energy: -1369.610 where: short stacking energy: -624.998 Base-Backbone interact. energy: -0.311 local terms energy: -755.602645 where: bonds (distance) C4'-P energy: -152.385 bonds (distance) P-C4' energy: -153.386 flat angles C4'-P-C4' energy: -147.937 flat angles P-C4'-P energy: -109.322 tors. eta vs tors. theta energy: -192.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1901.471306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.471306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.471306 (E_RNA) where: Base-Base interactions energy: -1294.719 where: short stacking energy: -540.020 Base-Backbone interact. energy: -1.443 local terms energy: -605.309271 where: bonds (distance) C4'-P energy: -109.633 bonds (distance) P-C4' energy: -142.224 flat angles C4'-P-C4' energy: -146.155 flat angles P-C4'-P energy: -84.915 tors. eta vs tors. theta energy: -122.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1263.251336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.251336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.251336 (E_RNA) where: Base-Base interactions energy: -731.998 where: short stacking energy: -370.320 Base-Backbone interact. energy: -0.996 local terms energy: -530.256999 where: bonds (distance) C4'-P energy: -137.327 bonds (distance) P-C4' energy: -153.967 flat angles C4'-P-C4' energy: -138.752 flat angles P-C4'-P energy: -70.437 tors. eta vs tors. theta energy: -29.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -920.783203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.783203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.783203 (E_RNA) where: Base-Base interactions energy: -475.857 where: short stacking energy: -294.293 Base-Backbone interact. energy: 3.788 local terms energy: -448.713595 where: bonds (distance) C4'-P energy: -95.259 bonds (distance) P-C4' energy: -135.453 flat angles C4'-P-C4' energy: -131.104 flat angles P-C4'-P energy: -75.792 tors. eta vs tors. theta energy: -11.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -768.704489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.704489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.704489 (E_RNA) where: Base-Base interactions energy: -339.729 where: short stacking energy: -217.004 Base-Backbone interact. energy: 4.664 local terms energy: -433.640062 where: bonds (distance) C4'-P energy: -147.359 bonds (distance) P-C4' energy: -141.589 flat angles C4'-P-C4' energy: -100.460 flat angles P-C4'-P energy: -63.136 tors. eta vs tors. theta energy: 18.903 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: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2914.917157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.917157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.917157 (E_RNA) where: Base-Base interactions energy: -2001.471 where: short stacking energy: -838.508 Base-Backbone interact. energy: -4.416 local terms energy: -909.030511 where: bonds (distance) C4'-P energy: -161.884 bonds (distance) P-C4' energy: -172.146 flat angles C4'-P-C4' energy: -194.653 flat angles P-C4'-P energy: -123.427 tors. eta vs tors. theta energy: -256.921 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: 2 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2789.195343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.195343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.195343 (E_RNA) where: Base-Base interactions energy: -1940.885 where: short stacking energy: -808.787 Base-Backbone interact. energy: -1.939 local terms energy: -846.371472 where: bonds (distance) C4'-P energy: -153.276 bonds (distance) P-C4' energy: -160.865 flat angles C4'-P-C4' energy: -183.653 flat angles P-C4'-P energy: -111.675 tors. eta vs tors. theta energy: -236.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2722.466797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.466797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.466797 (E_RNA) where: Base-Base interactions energy: -1909.770 where: short stacking energy: -792.950 Base-Backbone interact. energy: -3.827 local terms energy: -808.869190 where: bonds (distance) C4'-P energy: -155.102 bonds (distance) P-C4' energy: -135.799 flat angles C4'-P-C4' energy: -168.770 flat angles P-C4'-P energy: -114.921 tors. eta vs tors. theta energy: -234.277 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: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2465.487556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.487556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.487556 (E_RNA) where: Base-Base interactions energy: -1646.368 where: short stacking energy: -739.812 Base-Backbone interact. energy: -3.274 local terms energy: -815.845996 where: bonds (distance) C4'-P energy: -153.244 bonds (distance) P-C4' energy: -138.095 flat angles C4'-P-C4' energy: -182.340 flat angles P-C4'-P energy: -123.020 tors. eta vs tors. theta energy: -219.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2361.664530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.664530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.664530 (E_RNA) where: Base-Base interactions energy: -1605.697 where: short stacking energy: -673.062 Base-Backbone interact. energy: -7.304 local terms energy: -748.663570 where: bonds (distance) C4'-P energy: -142.025 bonds (distance) P-C4' energy: -164.121 flat angles C4'-P-C4' energy: -160.686 flat angles P-C4'-P energy: -95.222 tors. eta vs tors. theta energy: -186.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2129.748043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.748043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.748043 (E_RNA) where: Base-Base interactions energy: -1411.903 where: short stacking energy: -609.726 Base-Backbone interact. energy: 2.026 local terms energy: -719.871264 where: bonds (distance) C4'-P energy: -156.236 bonds (distance) P-C4' energy: -141.544 flat angles C4'-P-C4' energy: -167.316 flat angles P-C4'-P energy: -92.531 tors. eta vs tors. theta energy: -162.244 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: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1988.577210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.577210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.577210 (E_RNA) where: Base-Base interactions energy: -1356.924 where: short stacking energy: -567.583 Base-Backbone interact. energy: -3.731 local terms energy: -627.921591 where: bonds (distance) C4'-P energy: -137.765 bonds (distance) P-C4' energy: -121.937 flat angles C4'-P-C4' energy: -144.518 flat angles P-C4'-P energy: -84.290 tors. eta vs tors. theta energy: -139.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1351.396978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.396978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.396978 (E_RNA) where: Base-Base interactions energy: -807.028 where: short stacking energy: -353.033 Base-Backbone interact. energy: 3.347 local terms energy: -547.716317 where: bonds (distance) C4'-P energy: -129.837 bonds (distance) P-C4' energy: -139.606 flat angles C4'-P-C4' energy: -153.132 flat angles P-C4'-P energy: -82.703 tors. eta vs tors. theta energy: -42.438 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: 3 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -854.876494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.876494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.876494 (E_RNA) where: Base-Base interactions energy: -387.544 where: short stacking energy: -224.311 Base-Backbone interact. energy: 0.722 local terms energy: -468.054206 where: bonds (distance) C4'-P energy: -130.632 bonds (distance) P-C4' energy: -148.564 flat angles C4'-P-C4' energy: -123.168 flat angles P-C4'-P energy: -60.724 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -765.444362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.444362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.444362 (E_RNA) where: Base-Base interactions energy: -339.724 where: short stacking energy: -171.979 Base-Backbone interact. energy: 3.513 local terms energy: -429.233272 where: bonds (distance) C4'-P energy: -147.326 bonds (distance) P-C4' energy: -136.013 flat angles C4'-P-C4' energy: -112.041 flat angles P-C4'-P energy: -63.657 tors. eta vs tors. theta energy: 29.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2913.006971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.006971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.006971 (E_RNA) where: Base-Base interactions energy: -2029.251 where: short stacking energy: -867.832 Base-Backbone interact. energy: -1.113 local terms energy: -882.643398 where: bonds (distance) C4'-P energy: -163.403 bonds (distance) P-C4' energy: -158.851 flat angles C4'-P-C4' energy: -185.054 flat angles P-C4'-P energy: -117.083 tors. eta vs tors. theta energy: -258.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2771.932830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.932830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.932830 (E_RNA) where: Base-Base interactions energy: -1919.336 where: short stacking energy: -827.788 Base-Backbone interact. energy: -2.152 local terms energy: -850.444402 where: bonds (distance) C4'-P energy: -162.558 bonds (distance) P-C4' energy: -156.146 flat angles C4'-P-C4' energy: -173.348 flat angles P-C4'-P energy: -116.139 tors. eta vs tors. theta energy: -242.254 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: 5 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2698.231444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.231444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.231444 (E_RNA) where: Base-Base interactions energy: -1886.550 where: short stacking energy: -768.280 Base-Backbone interact. energy: -6.281 local terms energy: -805.401245 where: bonds (distance) C4'-P energy: -137.952 bonds (distance) P-C4' energy: -157.299 flat angles C4'-P-C4' energy: -169.821 flat angles P-C4'-P energy: -130.210 tors. eta vs tors. theta energy: -210.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2525.348564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.348564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.348564 (E_RNA) where: Base-Base interactions energy: -1713.918 where: short stacking energy: -725.693 Base-Backbone interact. energy: -2.362 local terms energy: -809.069462 where: bonds (distance) C4'-P energy: -149.682 bonds (distance) P-C4' energy: -160.071 flat angles C4'-P-C4' energy: -179.475 flat angles P-C4'-P energy: -96.290 tors. eta vs tors. theta energy: -223.551 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: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2355.152607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.152607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.152607 (E_RNA) where: Base-Base interactions energy: -1615.077 where: short stacking energy: -676.947 Base-Backbone interact. energy: 2.519 local terms energy: -742.594807 where: bonds (distance) C4'-P energy: -129.955 bonds (distance) P-C4' energy: -156.919 flat angles C4'-P-C4' energy: -165.208 flat angles P-C4'-P energy: -109.082 tors. eta vs tors. theta energy: -181.430 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: 7 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2144.239693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.239693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.239693 (E_RNA) where: Base-Base interactions energy: -1427.293 where: short stacking energy: -604.966 Base-Backbone interact. energy: -1.756 local terms energy: -715.191056 where: bonds (distance) C4'-P energy: -155.109 bonds (distance) P-C4' energy: -145.667 flat angles C4'-P-C4' energy: -147.827 flat angles P-C4'-P energy: -98.502 tors. eta vs tors. theta energy: -168.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1987.435908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.435908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.435908 (E_RNA) where: Base-Base interactions energy: -1341.208 where: short stacking energy: -572.855 Base-Backbone interact. energy: 1.638 local terms energy: -647.865897 where: bonds (distance) C4'-P energy: -132.139 bonds (distance) P-C4' energy: -144.843 flat angles C4'-P-C4' energy: -148.252 flat angles P-C4'-P energy: -75.479 tors. eta vs tors. theta energy: -147.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1337.397148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.397148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.397148 (E_RNA) where: Base-Base interactions energy: -776.050 where: short stacking energy: -369.811 Base-Backbone interact. energy: -2.009 local terms energy: -559.338492 where: bonds (distance) C4'-P energy: -126.457 bonds (distance) P-C4' energy: -160.443 flat angles C4'-P-C4' energy: -134.179 flat angles P-C4'-P energy: -89.436 tors. eta vs tors. theta energy: -48.824 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: 9, replica: 3 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -847.665822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.665822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.665822 (E_RNA) where: Base-Base interactions energy: -413.406 where: short stacking energy: -259.899 Base-Backbone interact. energy: 1.356 local terms energy: -435.615673 where: bonds (distance) C4'-P energy: -135.128 bonds (distance) P-C4' energy: -137.419 flat angles C4'-P-C4' energy: -110.186 flat angles P-C4'-P energy: -56.625 tors. eta vs tors. theta energy: 3.742 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: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -715.735522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.735522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.735522 (E_RNA) where: Base-Base interactions energy: -279.726 where: short stacking energy: -185.345 Base-Backbone interact. energy: -3.341 local terms energy: -432.668735 where: bonds (distance) C4'-P energy: -132.185 bonds (distance) P-C4' energy: -131.271 flat angles C4'-P-C4' energy: -110.401 flat angles P-C4'-P energy: -86.457 tors. eta vs tors. theta energy: 27.645 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: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2937.731687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.731687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.731687 (E_RNA) where: Base-Base interactions energy: -2013.866 where: short stacking energy: -861.832 Base-Backbone interact. energy: -0.011 local terms energy: -923.855408 where: bonds (distance) C4'-P energy: -159.684 bonds (distance) P-C4' energy: -179.583 flat angles C4'-P-C4' energy: -199.011 flat angles P-C4'-P energy: -119.191 tors. eta vs tors. theta energy: -266.386 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: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2769.254529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.254529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.254529 (E_RNA) where: Base-Base interactions energy: -1892.473 where: short stacking energy: -798.970 Base-Backbone interact. energy: -3.702 local terms energy: -873.079362 where: bonds (distance) C4'-P energy: -162.133 bonds (distance) P-C4' energy: -170.478 flat angles C4'-P-C4' energy: -177.450 flat angles P-C4'-P energy: -119.467 tors. eta vs tors. theta energy: -243.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2674.244470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.244470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.244470 (E_RNA) where: Base-Base interactions energy: -1875.820 where: short stacking energy: -752.748 Base-Backbone interact. energy: -2.162 local terms energy: -796.263195 where: bonds (distance) C4'-P energy: -138.206 bonds (distance) P-C4' energy: -154.785 flat angles C4'-P-C4' energy: -170.351 flat angles P-C4'-P energy: -115.098 tors. eta vs tors. theta energy: -217.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2541.367786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.367786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.367786 (E_RNA) where: Base-Base interactions energy: -1737.692 where: short stacking energy: -766.872 Base-Backbone interact. energy: -2.048 local terms energy: -801.627678 where: bonds (distance) C4'-P energy: -154.881 bonds (distance) P-C4' energy: -123.996 flat angles C4'-P-C4' energy: -179.078 flat angles P-C4'-P energy: -113.319 tors. eta vs tors. theta energy: -230.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2397.532161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.532161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.532161 (E_RNA) where: Base-Base interactions energy: -1651.173 where: short stacking energy: -692.003 Base-Backbone interact. energy: -0.246 local terms energy: -746.113648 where: bonds (distance) C4'-P energy: -147.165 bonds (distance) P-C4' energy: -144.602 flat angles C4'-P-C4' energy: -169.923 flat angles P-C4'-P energy: -91.027 tors. eta vs tors. theta energy: -193.397 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: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2102.395771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.395771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.395771 (E_RNA) where: Base-Base interactions energy: -1405.038 where: short stacking energy: -614.582 Base-Backbone interact. energy: 0.399 local terms energy: -697.757472 where: bonds (distance) C4'-P energy: -143.877 bonds (distance) P-C4' energy: -147.438 flat angles C4'-P-C4' energy: -137.658 flat angles P-C4'-P energy: -94.058 tors. eta vs tors. theta energy: -174.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1933.211435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.211435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.211435 (E_RNA) where: Base-Base interactions energy: -1302.424 where: short stacking energy: -532.280 Base-Backbone interact. energy: -4.574 local terms energy: -626.213791 where: bonds (distance) C4'-P energy: -140.540 bonds (distance) P-C4' energy: -121.187 flat angles C4'-P-C4' energy: -145.066 flat angles P-C4'-P energy: -91.083 tors. eta vs tors. theta energy: -128.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1310.182244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.182244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.182244 (E_RNA) where: Base-Base interactions energy: -780.353 where: short stacking energy: -407.246 Base-Backbone interact. energy: 7.562 local terms energy: -537.391071 where: bonds (distance) C4'-P energy: -125.838 bonds (distance) P-C4' energy: -134.742 flat angles C4'-P-C4' energy: -135.020 flat angles P-C4'-P energy: -93.941 tors. eta vs tors. theta energy: -47.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -818.690053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.690053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.690053 (E_RNA) where: Base-Base interactions energy: -387.219 where: short stacking energy: -237.864 Base-Backbone interact. energy: -2.197 local terms energy: -429.273435 where: bonds (distance) C4'-P energy: -125.153 bonds (distance) P-C4' energy: -144.563 flat angles C4'-P-C4' energy: -117.894 flat angles P-C4'-P energy: -66.847 tors. eta vs tors. theta energy: 25.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -711.487211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.487211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.487211 (E_RNA) where: Base-Base interactions energy: -260.403 where: short stacking energy: -172.174 Base-Backbone interact. energy: 0.946 local terms energy: -452.030023 where: bonds (distance) C4'-P energy: -142.353 bonds (distance) P-C4' energy: -128.672 flat angles C4'-P-C4' energy: -129.932 flat angles P-C4'-P energy: -75.372 tors. eta vs tors. theta energy: 24.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2928.683692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.683692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.683692 (E_RNA) where: Base-Base interactions energy: -2020.047 where: short stacking energy: -856.854 Base-Backbone interact. energy: -3.129 local terms energy: -905.507249 where: bonds (distance) C4'-P energy: -164.775 bonds (distance) P-C4' energy: -164.029 flat angles C4'-P-C4' energy: -194.400 flat angles P-C4'-P energy: -124.896 tors. eta vs tors. theta energy: -257.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2788.021364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.021364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.021364 (E_RNA) where: Base-Base interactions energy: -1932.208 where: short stacking energy: -795.867 Base-Backbone interact. energy: -5.075 local terms energy: -850.738882 where: bonds (distance) C4'-P energy: -162.184 bonds (distance) P-C4' energy: -163.525 flat angles C4'-P-C4' energy: -176.567 flat angles P-C4'-P energy: -114.160 tors. eta vs tors. theta energy: -234.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2676.250098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.250098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.250098 (E_RNA) where: Base-Base interactions energy: -1848.294 where: short stacking energy: -748.922 Base-Backbone interact. energy: -6.285 local terms energy: -821.670551 where: bonds (distance) C4'-P energy: -159.146 bonds (distance) P-C4' energy: -158.595 flat angles C4'-P-C4' energy: -181.998 flat angles P-C4'-P energy: -107.404 tors. eta vs tors. theta energy: -214.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2541.975061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.975061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.975061 (E_RNA) where: Base-Base interactions energy: -1719.049 where: short stacking energy: -750.726 Base-Backbone interact. energy: 0.132 local terms energy: -823.057920 where: bonds (distance) C4'-P energy: -142.100 bonds (distance) P-C4' energy: -157.957 flat angles C4'-P-C4' energy: -166.215 flat angles P-C4'-P energy: -125.766 tors. eta vs tors. theta energy: -231.020 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: 6 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2429.265843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.265843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.265843 (E_RNA) where: Base-Base interactions energy: -1698.256 where: short stacking energy: -703.811 Base-Backbone interact. energy: -0.655 local terms energy: -730.354078 where: bonds (distance) C4'-P energy: -155.621 bonds (distance) P-C4' energy: -146.920 flat angles C4'-P-C4' energy: -146.722 flat angles P-C4'-P energy: -100.258 tors. eta vs tors. theta energy: -180.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2177.744164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.744164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.744164 (E_RNA) where: Base-Base interactions energy: -1475.308 where: short stacking energy: -626.411 Base-Backbone interact. energy: -1.177 local terms energy: -701.259175 where: bonds (distance) C4'-P energy: -132.172 bonds (distance) P-C4' energy: -140.916 flat angles C4'-P-C4' energy: -144.630 flat angles P-C4'-P energy: -111.746 tors. eta vs tors. theta energy: -171.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1934.932540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.932540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.932540 (E_RNA) where: Base-Base interactions energy: -1263.997 where: short stacking energy: -521.277 Base-Backbone interact. energy: 0.099 local terms energy: -671.034486 where: bonds (distance) C4'-P energy: -157.563 bonds (distance) P-C4' energy: -146.443 flat angles C4'-P-C4' energy: -157.722 flat angles P-C4'-P energy: -85.771 tors. eta vs tors. theta energy: -123.536 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: 8, replica: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1328.765334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.765334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.765334 (E_RNA) where: Base-Base interactions energy: -806.521 where: short stacking energy: -367.292 Base-Backbone interact. energy: -2.567 local terms energy: -519.676903 where: bonds (distance) C4'-P energy: -126.313 bonds (distance) P-C4' energy: -132.595 flat angles C4'-P-C4' energy: -133.542 flat angles P-C4'-P energy: -66.722 tors. eta vs tors. theta energy: -60.506 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: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -851.204446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.204446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.204446 (E_RNA) where: Base-Base interactions energy: -405.289 where: short stacking energy: -230.988 Base-Backbone interact. energy: 2.914 local terms energy: -448.830111 where: bonds (distance) C4'-P energy: -124.054 bonds (distance) P-C4' energy: -140.853 flat angles C4'-P-C4' energy: -132.224 flat angles P-C4'-P energy: -59.089 tors. eta vs tors. theta energy: 7.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -714.393886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.393886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.393886 (E_RNA) where: Base-Base interactions energy: -311.377 where: short stacking energy: -193.894 Base-Backbone interact. energy: 0.297 local terms energy: -403.314777 where: bonds (distance) C4'-P energy: -112.344 bonds (distance) P-C4' energy: -154.536 flat angles C4'-P-C4' energy: -119.820 flat angles P-C4'-P energy: -55.022 tors. eta vs tors. theta energy: 38.407 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: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2915.693248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.693248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.693248 (E_RNA) where: Base-Base interactions energy: -2005.155 where: short stacking energy: -842.624 Base-Backbone interact. energy: 3.417 local terms energy: -913.954840 where: bonds (distance) C4'-P energy: -173.236 bonds (distance) P-C4' energy: -169.074 flat angles C4'-P-C4' energy: -185.292 flat angles P-C4'-P energy: -124.135 tors. eta vs tors. theta energy: -262.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2787.113984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.113984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.113984 (E_RNA) where: Base-Base interactions energy: -1901.340 where: short stacking energy: -815.680 Base-Backbone interact. energy: -3.020 local terms energy: -882.754359 where: bonds (distance) C4'-P energy: -157.287 bonds (distance) P-C4' energy: -165.550 flat angles C4'-P-C4' energy: -200.063 flat angles P-C4'-P energy: -130.157 tors. eta vs tors. theta energy: -229.697 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: 5 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2721.176981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.176981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.176981 (E_RNA) where: Base-Base interactions energy: -1883.442 where: short stacking energy: -769.662 Base-Backbone interact. energy: -0.422 local terms energy: -837.313392 where: bonds (distance) C4'-P energy: -169.226 bonds (distance) P-C4' energy: -153.350 flat angles C4'-P-C4' energy: -177.449 flat angles P-C4'-P energy: -114.059 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: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2515.667841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.667841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.667841 (E_RNA) where: Base-Base interactions energy: -1695.704 where: short stacking energy: -744.953 Base-Backbone interact. energy: -1.360 local terms energy: -818.603964 where: bonds (distance) C4'-P energy: -161.981 bonds (distance) P-C4' energy: -147.253 flat angles C4'-P-C4' energy: -173.548 flat angles P-C4'-P energy: -103.810 tors. eta vs tors. theta energy: -232.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2340.900035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.900035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.900035 (E_RNA) where: Base-Base interactions energy: -1597.194 where: short stacking energy: -681.666 Base-Backbone interact. energy: 0.154 local terms energy: -743.860055 where: bonds (distance) C4'-P energy: -137.862 bonds (distance) P-C4' energy: -134.066 flat angles C4'-P-C4' energy: -166.589 flat angles P-C4'-P energy: -107.705 tors. eta vs tors. theta energy: -197.639 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: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2181.876549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.876549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.876549 (E_RNA) where: Base-Base interactions energy: -1456.309 where: short stacking energy: -637.640 Base-Backbone interact. energy: -2.508 local terms energy: -723.058832 where: bonds (distance) C4'-P energy: -138.458 bonds (distance) P-C4' energy: -153.711 flat angles C4'-P-C4' energy: -171.579 flat angles P-C4'-P energy: -92.354 tors. eta vs tors. theta energy: -166.957 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: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1880.879204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.879204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.879204 (E_RNA) where: Base-Base interactions energy: -1226.996 where: short stacking energy: -495.719 Base-Backbone interact. energy: -6.240 local terms energy: -647.643032 where: bonds (distance) C4'-P energy: -140.755 bonds (distance) P-C4' energy: -159.190 flat angles C4'-P-C4' energy: -145.088 flat angles P-C4'-P energy: -103.142 tors. eta vs tors. theta energy: -99.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1305.610998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.610998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.610998 (E_RNA) where: Base-Base interactions energy: -764.375 where: short stacking energy: -372.501 Base-Backbone interact. energy: -0.793 local terms energy: -540.442849 where: bonds (distance) C4'-P energy: -121.379 bonds (distance) P-C4' energy: -131.484 flat angles C4'-P-C4' energy: -138.475 flat angles P-C4'-P energy: -92.667 tors. eta vs tors. theta energy: -56.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -825.316498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.316498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.316498 (E_RNA) where: Base-Base interactions energy: -371.835 where: short stacking energy: -223.177 Base-Backbone interact. energy: 14.201 local terms energy: -467.683000 where: bonds (distance) C4'-P energy: -140.608 bonds (distance) P-C4' energy: -151.302 flat angles C4'-P-C4' energy: -112.858 flat angles P-C4'-P energy: -68.638 tors. eta vs tors. theta energy: 5.723 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: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -751.343257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.343257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.343257 (E_RNA) where: Base-Base interactions energy: -319.781 where: short stacking energy: -222.030 Base-Backbone interact. energy: 6.775 local terms energy: -438.336828 where: bonds (distance) C4'-P energy: -138.868 bonds (distance) P-C4' energy: -123.531 flat angles C4'-P-C4' energy: -101.390 flat angles P-C4'-P energy: -77.760 tors. eta vs tors. theta energy: 3.211 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: 1, replica: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2939.382845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.382845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.382845 (E_RNA) where: Base-Base interactions energy: -2019.711 where: short stacking energy: -847.469 Base-Backbone interact. energy: -4.698 local terms energy: -914.974273 where: bonds (distance) C4'-P energy: -176.258 bonds (distance) P-C4' energy: -164.578 flat angles C4'-P-C4' energy: -192.921 flat angles P-C4'-P energy: -131.281 tors. eta vs tors. theta energy: -249.935 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: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2778.868205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.868205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.868205 (E_RNA) where: Base-Base interactions energy: -1902.177 where: short stacking energy: -773.388 Base-Backbone interact. energy: -4.877 local terms energy: -871.814945 where: bonds (distance) C4'-P energy: -148.208 bonds (distance) P-C4' energy: -172.696 flat angles C4'-P-C4' energy: -187.834 flat angles P-C4'-P energy: -127.364 tors. eta vs tors. theta energy: -235.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2713.912120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.912120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.912120 (E_RNA) where: Base-Base interactions energy: -1872.110 where: short stacking energy: -791.958 Base-Backbone interact. energy: -1.610 local terms energy: -840.191726 where: bonds (distance) C4'-P energy: -137.329 bonds (distance) P-C4' energy: -162.847 flat angles C4'-P-C4' energy: -177.066 flat angles P-C4'-P energy: -133.300 tors. eta vs tors. theta energy: -229.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2572.703782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.703782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.703782 (E_RNA) where: Base-Base interactions energy: -1746.149 where: short stacking energy: -766.080 Base-Backbone interact. energy: 2.375 local terms energy: -828.929856 where: bonds (distance) C4'-P energy: -150.947 bonds (distance) P-C4' energy: -170.700 flat angles C4'-P-C4' energy: -176.195 flat angles P-C4'-P energy: -104.969 tors. eta vs tors. theta energy: -226.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2379.929324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.929324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.929324 (E_RNA) where: Base-Base interactions energy: -1622.394 where: short stacking energy: -678.954 Base-Backbone interact. energy: -3.629 local terms energy: -753.905714 where: bonds (distance) C4'-P energy: -145.702 bonds (distance) P-C4' energy: -152.884 flat angles C4'-P-C4' energy: -155.520 flat angles P-C4'-P energy: -108.800 tors. eta vs tors. theta energy: -191.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2106.593364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.593364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.593364 (E_RNA) where: Base-Base interactions energy: -1427.232 where: short stacking energy: -626.337 Base-Backbone interact. energy: 2.361 local terms energy: -681.722463 where: bonds (distance) C4'-P energy: -128.970 bonds (distance) P-C4' energy: -133.760 flat angles C4'-P-C4' energy: -175.517 flat angles P-C4'-P energy: -84.255 tors. eta vs tors. theta energy: -159.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1873.270257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.270257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.270257 (E_RNA) where: Base-Base interactions energy: -1246.362 where: short stacking energy: -532.102 Base-Backbone interact. energy: 6.774 local terms energy: -633.681951 where: bonds (distance) C4'-P energy: -133.790 bonds (distance) P-C4' energy: -128.828 flat angles C4'-P-C4' energy: -141.050 flat angles P-C4'-P energy: -94.693 tors. eta vs tors. theta energy: -135.321 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: 1 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1355.213620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.213620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.213620 (E_RNA) where: Base-Base interactions energy: -846.150 where: short stacking energy: -392.505 Base-Backbone interact. energy: 6.689 local terms energy: -515.752465 where: bonds (distance) C4'-P energy: -128.465 bonds (distance) P-C4' energy: -134.230 flat angles C4'-P-C4' energy: -136.950 flat angles P-C4'-P energy: -70.399 tors. eta vs tors. theta energy: -45.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -811.550069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.550069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.550069 (E_RNA) where: Base-Base interactions energy: -367.203 where: short stacking energy: -211.358 Base-Backbone interact. energy: 4.089 local terms energy: -448.435766 where: bonds (distance) C4'-P energy: -145.748 bonds (distance) P-C4' energy: -126.277 flat angles C4'-P-C4' energy: -124.546 flat angles P-C4'-P energy: -62.948 tors. eta vs tors. theta energy: 11.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -736.484755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.484755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.484755 (E_RNA) where: Base-Base interactions energy: -343.881 where: short stacking energy: -202.660 Base-Backbone interact. energy: 6.580 local terms energy: -399.183713 where: bonds (distance) C4'-P energy: -112.550 bonds (distance) P-C4' energy: -128.292 flat angles C4'-P-C4' energy: -117.176 flat angles P-C4'-P energy: -56.720 tors. eta vs tors. theta energy: 15.554 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: 1, replica: 4 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2937.753637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.753637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.753637 (E_RNA) where: Base-Base interactions energy: -2061.117 where: short stacking energy: -856.531 Base-Backbone interact. energy: -0.151 local terms energy: -876.485186 where: bonds (distance) C4'-P energy: -155.259 bonds (distance) P-C4' energy: -158.372 flat angles C4'-P-C4' energy: -177.577 flat angles P-C4'-P energy: -121.539 tors. eta vs tors. theta energy: -263.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2808.049346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.049346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.049346 (E_RNA) where: Base-Base interactions energy: -1948.181 where: short stacking energy: -797.330 Base-Backbone interact. energy: -3.135 local terms energy: -856.733373 where: bonds (distance) C4'-P energy: -164.696 bonds (distance) P-C4' energy: -147.271 flat angles C4'-P-C4' energy: -178.179 flat angles P-C4'-P energy: -128.958 tors. eta vs tors. theta energy: -237.630 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: 2 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2707.694233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.694233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.694233 (E_RNA) where: Base-Base interactions energy: -1861.141 where: short stacking energy: -785.750 Base-Backbone interact. energy: -1.152 local terms energy: -845.400512 where: bonds (distance) C4'-P energy: -152.373 bonds (distance) P-C4' energy: -163.506 flat angles C4'-P-C4' energy: -180.352 flat angles P-C4'-P energy: -120.762 tors. eta vs tors. theta energy: -228.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2553.468289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.468289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.468289 (E_RNA) where: Base-Base interactions energy: -1751.284 where: short stacking energy: -721.281 Base-Backbone interact. energy: -0.958 local terms energy: -801.226639 where: bonds (distance) C4'-P energy: -148.385 bonds (distance) P-C4' energy: -162.762 flat angles C4'-P-C4' energy: -179.857 flat angles P-C4'-P energy: -105.293 tors. eta vs tors. theta energy: -204.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2355.355342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.355342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.355342 (E_RNA) where: Base-Base interactions energy: -1624.389 where: short stacking energy: -682.171 Base-Backbone interact. energy: -2.490 local terms energy: -728.476063 where: bonds (distance) C4'-P energy: -117.771 bonds (distance) P-C4' energy: -138.450 flat angles C4'-P-C4' energy: -158.684 flat angles P-C4'-P energy: -119.307 tors. eta vs tors. theta energy: -194.263 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: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2074.995960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.995960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.995960 (E_RNA) where: Base-Base interactions energy: -1374.483 where: short stacking energy: -585.040 Base-Backbone interact. energy: -0.581 local terms energy: -699.932191 where: bonds (distance) C4'-P energy: -119.260 bonds (distance) P-C4' energy: -165.666 flat angles C4'-P-C4' energy: -160.862 flat angles P-C4'-P energy: -96.946 tors. eta vs tors. theta energy: -157.198 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: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1887.552969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.552969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.552969 (E_RNA) where: Base-Base interactions energy: -1253.377 where: short stacking energy: -505.946 Base-Backbone interact. energy: -1.582 local terms energy: -632.594090 where: bonds (distance) C4'-P energy: -131.667 bonds (distance) P-C4' energy: -153.917 flat angles C4'-P-C4' energy: -146.847 flat angles P-C4'-P energy: -83.170 tors. eta vs tors. theta energy: -116.992 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: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1283.721220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.721220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.721220 (E_RNA) where: Base-Base interactions energy: -736.681 where: short stacking energy: -368.967 Base-Backbone interact. energy: -0.549 local terms energy: -546.491169 where: bonds (distance) C4'-P energy: -152.275 bonds (distance) P-C4' energy: -141.379 flat angles C4'-P-C4' energy: -126.318 flat angles P-C4'-P energy: -82.809 tors. eta vs tors. theta energy: -43.711 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: 3 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -852.971831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.971831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.971831 (E_RNA) where: Base-Base interactions energy: -403.241 where: short stacking energy: -210.389 Base-Backbone interact. energy: -0.320 local terms energy: -449.410572 where: bonds (distance) C4'-P energy: -141.691 bonds (distance) P-C4' energy: -136.513 flat angles C4'-P-C4' energy: -120.739 flat angles P-C4'-P energy: -73.438 tors. eta vs tors. theta energy: 22.970 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: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -736.355847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.355847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.355847 (E_RNA) where: Base-Base interactions energy: -307.738 where: short stacking energy: -201.214 Base-Backbone interact. energy: 3.019 local terms energy: -431.636681 where: bonds (distance) C4'-P energy: -125.814 bonds (distance) P-C4' energy: -149.861 flat angles C4'-P-C4' energy: -125.451 flat angles P-C4'-P energy: -60.539 tors. eta vs tors. theta energy: 30.027 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: 4 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2937.760753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.760753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.760753 (E_RNA) where: Base-Base interactions energy: -2024.154 where: short stacking energy: -829.227 Base-Backbone interact. energy: -0.296 local terms energy: -913.310686 where: bonds (distance) C4'-P energy: -170.370 bonds (distance) P-C4' energy: -168.229 flat angles C4'-P-C4' energy: -193.224 flat angles P-C4'-P energy: -131.964 tors. eta vs tors. theta energy: -249.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2811.276745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.276745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.276745 (E_RNA) where: Base-Base interactions energy: -1946.410 where: short stacking energy: -793.118 Base-Backbone interact. energy: -3.277 local terms energy: -861.590198 where: bonds (distance) C4'-P energy: -143.605 bonds (distance) P-C4' energy: -164.523 flat angles C4'-P-C4' energy: -183.817 flat angles P-C4'-P energy: -128.973 tors. eta vs tors. theta energy: -240.672 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: 3, replica: 2 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2668.039058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.039058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.039058 (E_RNA) where: Base-Base interactions energy: -1864.237 where: short stacking energy: -774.369 Base-Backbone interact. energy: -3.874 local terms energy: -799.928692 where: bonds (distance) C4'-P energy: -130.071 bonds (distance) P-C4' energy: -139.190 flat angles C4'-P-C4' energy: -180.132 flat angles P-C4'-P energy: -111.818 tors. eta vs tors. theta energy: -238.718 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: 4, replica: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2499.714187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.714187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.714187 (E_RNA) where: Base-Base interactions energy: -1697.600 where: short stacking energy: -752.745 Base-Backbone interact. energy: -3.904 local terms energy: -798.210107 where: bonds (distance) C4'-P energy: -152.044 bonds (distance) P-C4' energy: -126.253 flat angles C4'-P-C4' energy: -177.474 flat angles P-C4'-P energy: -111.332 tors. eta vs tors. theta energy: -231.107 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: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2314.102549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.102549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.102549 (E_RNA) where: Base-Base interactions energy: -1589.326 where: short stacking energy: -636.658 Base-Backbone interact. energy: -6.082 local terms energy: -718.694388 where: bonds (distance) C4'-P energy: -147.459 bonds (distance) P-C4' energy: -155.052 flat angles C4'-P-C4' energy: -165.614 flat angles P-C4'-P energy: -87.500 tors. eta vs tors. theta energy: -163.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2077.383683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.383683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.383683 (E_RNA) where: Base-Base interactions energy: -1395.315 where: short stacking energy: -623.527 Base-Backbone interact. energy: -1.708 local terms energy: -680.360716 where: bonds (distance) C4'-P energy: -139.244 bonds (distance) P-C4' energy: -137.578 flat angles C4'-P-C4' energy: -162.951 flat angles P-C4'-P energy: -70.029 tors. eta vs tors. theta energy: -170.558 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: 7, replica: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1853.012824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.012824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.012824 (E_RNA) where: Base-Base interactions energy: -1242.355 where: short stacking energy: -518.124 Base-Backbone interact. energy: 3.431 local terms energy: -614.089539 where: bonds (distance) C4'-P energy: -123.635 bonds (distance) P-C4' energy: -146.421 flat angles C4'-P-C4' energy: -145.798 flat angles P-C4'-P energy: -96.154 tors. eta vs tors. theta energy: -102.081 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: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1221.150459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.150459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.150459 (E_RNA) where: Base-Base interactions energy: -707.176 where: short stacking energy: -341.267 Base-Backbone interact. energy: -0.936 local terms energy: -513.038599 where: bonds (distance) C4'-P energy: -144.615 bonds (distance) P-C4' energy: -138.816 flat angles C4'-P-C4' energy: -125.176 flat angles P-C4'-P energy: -83.404 tors. eta vs tors. theta energy: -21.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -813.691421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.691421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.691421 (E_RNA) where: Base-Base interactions energy: -363.620 where: short stacking energy: -218.872 Base-Backbone interact. energy: -1.875 local terms energy: -448.196588 where: bonds (distance) C4'-P energy: -135.242 bonds (distance) P-C4' energy: -129.661 flat angles C4'-P-C4' energy: -121.576 flat angles P-C4'-P energy: -70.561 tors. eta vs tors. theta energy: 8.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -775.502581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.502581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.502581 (E_RNA) where: Base-Base interactions energy: -349.212 where: short stacking energy: -203.309 Base-Backbone interact. energy: 6.660 local terms energy: -432.950773 where: bonds (distance) C4'-P energy: -120.464 bonds (distance) P-C4' energy: -121.748 flat angles C4'-P-C4' energy: -122.673 flat angles P-C4'-P energy: -69.574 tors. eta vs tors. theta energy: 1.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2937.206251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.206251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.206251 (E_RNA) where: Base-Base interactions energy: -2028.033 where: short stacking energy: -831.230 Base-Backbone interact. energy: -3.876 local terms energy: -905.297343 where: bonds (distance) C4'-P energy: -180.402 bonds (distance) P-C4' energy: -173.871 flat angles C4'-P-C4' energy: -185.905 flat angles P-C4'-P energy: -121.181 tors. eta vs tors. theta energy: -243.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2798.438261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.438261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.438261 (E_RNA) where: Base-Base interactions energy: -1921.886 where: short stacking energy: -816.729 Base-Backbone interact. energy: -3.694 local terms energy: -872.858985 where: bonds (distance) C4'-P energy: -140.475 bonds (distance) P-C4' energy: -149.344 flat angles C4'-P-C4' energy: -198.985 flat angles P-C4'-P energy: -128.362 tors. eta vs tors. theta energy: -255.694 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: 2 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2679.977363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.977363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.977363 (E_RNA) where: Base-Base interactions energy: -1870.514 where: short stacking energy: -775.499 Base-Backbone interact. energy: -4.248 local terms energy: -805.215665 where: bonds (distance) C4'-P energy: -130.209 bonds (distance) P-C4' energy: -152.238 flat angles C4'-P-C4' energy: -170.958 flat angles P-C4'-P energy: -118.024 tors. eta vs tors. theta energy: -233.786 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: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2540.409665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.409665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.409665 (E_RNA) where: Base-Base interactions energy: -1733.380 where: short stacking energy: -761.679 Base-Backbone interact. energy: -1.837 local terms energy: -805.193264 where: bonds (distance) C4'-P energy: -141.905 bonds (distance) P-C4' energy: -144.020 flat angles C4'-P-C4' energy: -164.987 flat angles P-C4'-P energy: -130.366 tors. eta vs tors. theta energy: -223.916 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: 5, replica: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2410.303835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.303835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.303835 (E_RNA) where: Base-Base interactions energy: -1648.594 where: short stacking energy: -670.905 Base-Backbone interact. energy: 0.495 local terms energy: -762.205058 where: bonds (distance) C4'-P energy: -140.663 bonds (distance) P-C4' energy: -163.247 flat angles C4'-P-C4' energy: -166.109 flat angles P-C4'-P energy: -99.253 tors. eta vs tors. theta energy: -192.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2110.534479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.534479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.534479 (E_RNA) where: Base-Base interactions energy: -1401.877 where: short stacking energy: -604.252 Base-Backbone interact. energy: -3.081 local terms energy: -705.576279 where: bonds (distance) C4'-P energy: -126.398 bonds (distance) P-C4' energy: -160.292 flat angles C4'-P-C4' energy: -157.524 flat angles P-C4'-P energy: -103.598 tors. eta vs tors. theta energy: -157.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1897.645945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.645945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.645945 (E_RNA) where: Base-Base interactions energy: -1249.950 where: short stacking energy: -530.977 Base-Backbone interact. energy: -4.912 local terms energy: -642.784754 where: bonds (distance) C4'-P energy: -143.510 bonds (distance) P-C4' energy: -138.052 flat angles C4'-P-C4' energy: -137.338 flat angles P-C4'-P energy: -95.899 tors. eta vs tors. theta energy: -127.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1244.963413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.963413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.963413 (E_RNA) where: Base-Base interactions energy: -724.376 where: short stacking energy: -363.099 Base-Backbone interact. energy: -0.004 local terms energy: -520.582662 where: bonds (distance) C4'-P energy: -125.764 bonds (distance) P-C4' energy: -151.247 flat angles C4'-P-C4' energy: -134.382 flat angles P-C4'-P energy: -67.160 tors. eta vs tors. theta energy: -42.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -828.353473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.353473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.353473 (E_RNA) where: Base-Base interactions energy: -390.419 where: short stacking energy: -233.065 Base-Backbone interact. energy: -3.315 local terms energy: -434.619451 where: bonds (distance) C4'-P energy: -131.032 bonds (distance) P-C4' energy: -136.828 flat angles C4'-P-C4' energy: -101.660 flat angles P-C4'-P energy: -74.931 tors. eta vs tors. theta energy: 9.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -723.387701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.387701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.387701 (E_RNA) where: Base-Base interactions energy: -309.800 where: short stacking energy: -215.890 Base-Backbone interact. energy: 1.124 local terms energy: -414.711672 where: bonds (distance) C4'-P energy: -130.516 bonds (distance) P-C4' energy: -140.190 flat angles C4'-P-C4' energy: -95.762 flat angles P-C4'-P energy: -77.457 tors. eta vs tors. theta energy: 29.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2934.402863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.402863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.402863 (E_RNA) where: Base-Base interactions energy: -2050.878 where: short stacking energy: -850.661 Base-Backbone interact. energy: -4.400 local terms energy: -879.124320 where: bonds (distance) C4'-P energy: -156.328 bonds (distance) P-C4' energy: -175.939 flat angles C4'-P-C4' energy: -181.730 flat angles P-C4'-P energy: -111.708 tors. eta vs tors. theta energy: -253.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2818.968453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.968453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.968453 (E_RNA) where: Base-Base interactions energy: -1939.934 where: short stacking energy: -821.142 Base-Backbone interact. energy: -2.271 local terms energy: -876.762618 where: bonds (distance) C4'-P energy: -172.490 bonds (distance) P-C4' energy: -161.504 flat angles C4'-P-C4' energy: -175.822 flat angles P-C4'-P energy: -122.649 tors. eta vs tors. theta energy: -244.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2685.666828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.666828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.666828 (E_RNA) where: Base-Base interactions energy: -1836.962 where: short stacking energy: -793.905 Base-Backbone interact. energy: 2.977 local terms energy: -851.681780 where: bonds (distance) C4'-P energy: -157.153 bonds (distance) P-C4' energy: -148.961 flat angles C4'-P-C4' energy: -184.733 flat angles P-C4'-P energy: -132.587 tors. eta vs tors. theta energy: -228.247 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: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2511.321989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.321989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.321989 (E_RNA) where: Base-Base interactions energy: -1708.437 where: short stacking energy: -731.815 Base-Backbone interact. energy: -5.421 local terms energy: -797.463843 where: bonds (distance) C4'-P energy: -144.829 bonds (distance) P-C4' energy: -157.664 flat angles C4'-P-C4' energy: -170.944 flat angles P-C4'-P energy: -114.337 tors. eta vs tors. theta energy: -209.691 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: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2349.612347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.612347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.612347 (E_RNA) where: Base-Base interactions energy: -1640.094 where: short stacking energy: -690.786 Base-Backbone interact. energy: -3.493 local terms energy: -706.025823 where: bonds (distance) C4'-P energy: -137.666 bonds (distance) P-C4' energy: -143.773 flat angles C4'-P-C4' energy: -154.439 flat angles P-C4'-P energy: -96.648 tors. eta vs tors. theta energy: -173.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2098.833997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.833997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.833997 (E_RNA) where: Base-Base interactions energy: -1399.844 where: short stacking energy: -603.126 Base-Backbone interact. energy: -2.020 local terms energy: -696.970196 where: bonds (distance) C4'-P energy: -142.986 bonds (distance) P-C4' energy: -142.936 flat angles C4'-P-C4' energy: -151.737 flat angles P-C4'-P energy: -99.127 tors. eta vs tors. theta energy: -160.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1946.087876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.087876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.087876 (E_RNA) where: Base-Base interactions energy: -1295.694 where: short stacking energy: -554.157 Base-Backbone interact. energy: -3.204 local terms energy: -647.189861 where: bonds (distance) C4'-P energy: -135.246 bonds (distance) P-C4' energy: -136.155 flat angles C4'-P-C4' energy: -149.116 flat angles P-C4'-P energy: -76.458 tors. eta vs tors. theta energy: -150.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1257.103364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.103364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.103364 (E_RNA) where: Base-Base interactions energy: -740.759 where: short stacking energy: -344.387 Base-Backbone interact. energy: 1.324 local terms energy: -517.668204 where: bonds (distance) C4'-P energy: -138.164 bonds (distance) P-C4' energy: -137.735 flat angles C4'-P-C4' energy: -131.835 flat angles P-C4'-P energy: -73.642 tors. eta vs tors. theta energy: -36.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -867.383926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.383926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.383926 (E_RNA) where: Base-Base interactions energy: -441.663 where: short stacking energy: -263.147 Base-Backbone interact. energy: 0.691 local terms energy: -426.411770 where: bonds (distance) C4'-P energy: -109.409 bonds (distance) P-C4' energy: -139.112 flat angles C4'-P-C4' energy: -110.242 flat angles P-C4'-P energy: -62.769 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -738.088638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.088638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.088638 (E_RNA) where: Base-Base interactions energy: -282.346 where: short stacking energy: -179.765 Base-Backbone interact. energy: -2.616 local terms energy: -453.126564 where: bonds (distance) C4'-P energy: -144.568 bonds (distance) P-C4' energy: -130.026 flat angles C4'-P-C4' energy: -124.634 flat angles P-C4'-P energy: -68.178 tors. eta vs tors. theta energy: 14.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2943.245658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.245658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.245658 (E_RNA) where: Base-Base interactions energy: -2064.847 where: short stacking energy: -870.020 Base-Backbone interact. energy: -1.976 local terms energy: -876.422805 where: bonds (distance) C4'-P energy: -163.518 bonds (distance) P-C4' energy: -157.958 flat angles C4'-P-C4' energy: -189.779 flat angles P-C4'-P energy: -112.471 tors. eta vs tors. theta energy: -252.697 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: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2770.499185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.499185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.499185 (E_RNA) where: Base-Base interactions energy: -1914.774 where: short stacking energy: -800.470 Base-Backbone interact. energy: -0.051 local terms energy: -855.674023 where: bonds (distance) C4'-P energy: -169.578 bonds (distance) P-C4' energy: -175.133 flat angles C4'-P-C4' energy: -181.198 flat angles P-C4'-P energy: -103.811 tors. eta vs tors. theta energy: -225.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2688.894046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.894046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.894046 (E_RNA) where: Base-Base interactions energy: -1830.927 where: short stacking energy: -805.459 Base-Backbone interact. energy: -3.246 local terms energy: -854.721134 where: bonds (distance) C4'-P energy: -163.104 bonds (distance) P-C4' energy: -153.704 flat angles C4'-P-C4' energy: -188.361 flat angles P-C4'-P energy: -113.339 tors. eta vs tors. theta energy: -236.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2546.939663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.939663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.939663 (E_RNA) where: Base-Base interactions energy: -1757.749 where: short stacking energy: -738.205 Base-Backbone interact. energy: -5.887 local terms energy: -783.303088 where: bonds (distance) C4'-P energy: -158.581 bonds (distance) P-C4' energy: -156.774 flat angles C4'-P-C4' energy: -160.438 flat angles P-C4'-P energy: -103.263 tors. eta vs tors. theta energy: -204.247 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: 348 Temperature: 1.100000 Total energy: -2381.228652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.228652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.228652 (E_RNA) where: Base-Base interactions energy: -1623.772 where: short stacking energy: -706.242 Base-Backbone interact. energy: -1.391 local terms energy: -756.065635 where: bonds (distance) C4'-P energy: -141.356 bonds (distance) P-C4' energy: -149.609 flat angles C4'-P-C4' energy: -163.018 flat angles P-C4'-P energy: -105.474 tors. eta vs tors. theta energy: -196.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2107.039405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.039405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.039405 (E_RNA) where: Base-Base interactions energy: -1409.428 where: short stacking energy: -588.359 Base-Backbone interact. energy: -0.448 local terms energy: -697.162649 where: bonds (distance) C4'-P energy: -117.743 bonds (distance) P-C4' energy: -149.296 flat angles C4'-P-C4' energy: -172.996 flat angles P-C4'-P energy: -107.438 tors. eta vs tors. theta energy: -149.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1908.491306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.491306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.491306 (E_RNA) where: Base-Base interactions energy: -1272.187 where: short stacking energy: -536.344 Base-Backbone interact. energy: -0.976 local terms energy: -635.328257 where: bonds (distance) C4'-P energy: -132.393 bonds (distance) P-C4' energy: -134.163 flat angles C4'-P-C4' energy: -140.968 flat angles P-C4'-P energy: -94.686 tors. eta vs tors. theta energy: -133.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1305.061017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.061017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.061017 (E_RNA) where: Base-Base interactions energy: -730.117 where: short stacking energy: -348.752 Base-Backbone interact. energy: -2.024 local terms energy: -572.919830 where: bonds (distance) C4'-P energy: -139.242 bonds (distance) P-C4' energy: -152.467 flat angles C4'-P-C4' energy: -141.139 flat angles P-C4'-P energy: -88.938 tors. eta vs tors. theta energy: -51.134 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: 3 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -860.349432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.349432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.349432 (E_RNA) where: Base-Base interactions energy: -387.799 where: short stacking energy: -237.048 Base-Backbone interact. energy: -2.300 local terms energy: -470.250301 where: bonds (distance) C4'-P energy: -137.485 bonds (distance) P-C4' energy: -155.941 flat angles C4'-P-C4' energy: -123.508 flat angles P-C4'-P energy: -67.993 tors. eta vs tors. theta energy: 14.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -748.156364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.156364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.156364 (E_RNA) where: Base-Base interactions energy: -339.055 where: short stacking energy: -248.061 Base-Backbone interact. energy: 4.938 local terms energy: -414.039465 where: bonds (distance) C4'-P energy: -115.635 bonds (distance) P-C4' energy: -134.917 flat angles C4'-P-C4' energy: -126.938 flat angles P-C4'-P energy: -46.501 tors. eta vs tors. theta energy: 9.952 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: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2936.603277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.603277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.603277 (E_RNA) where: Base-Base interactions energy: -2061.880 where: short stacking energy: -860.715 Base-Backbone interact. energy: -3.841 local terms energy: -870.881975 where: bonds (distance) C4'-P energy: -154.119 bonds (distance) P-C4' energy: -175.086 flat angles C4'-P-C4' energy: -182.440 flat angles P-C4'-P energy: -119.097 tors. eta vs tors. theta energy: -240.140 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: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2790.577219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.577219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.577219 (E_RNA) where: Base-Base interactions energy: -1921.354 where: short stacking energy: -803.079 Base-Backbone interact. energy: -1.205 local terms energy: -868.017960 where: bonds (distance) C4'-P energy: -139.147 bonds (distance) P-C4' energy: -166.361 flat angles C4'-P-C4' energy: -183.945 flat angles P-C4'-P energy: -140.484 tors. eta vs tors. theta energy: -238.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2727.465449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.465449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.465449 (E_RNA) where: Base-Base interactions energy: -1869.055 where: short stacking energy: -852.803 Base-Backbone interact. energy: -0.062 local terms energy: -858.348393 where: bonds (distance) C4'-P energy: -150.966 bonds (distance) P-C4' energy: -159.001 flat angles C4'-P-C4' energy: -177.260 flat angles P-C4'-P energy: -115.375 tors. eta vs tors. theta energy: -255.747 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: 9 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2554.542672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.542672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.542672 (E_RNA) where: Base-Base interactions energy: -1742.075 where: short stacking energy: -748.683 Base-Backbone interact. energy: 1.634 local terms energy: -814.101868 where: bonds (distance) C4'-P energy: -151.350 bonds (distance) P-C4' energy: -154.928 flat angles C4'-P-C4' energy: -178.315 flat angles P-C4'-P energy: -111.245 tors. eta vs tors. theta energy: -218.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2394.778248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.778248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.778248 (E_RNA) where: Base-Base interactions energy: -1611.672 where: short stacking energy: -684.986 Base-Backbone interact. energy: -4.007 local terms energy: -779.099804 where: bonds (distance) C4'-P energy: -141.456 bonds (distance) P-C4' energy: -149.085 flat angles C4'-P-C4' energy: -177.708 flat angles P-C4'-P energy: -121.899 tors. eta vs tors. theta energy: -188.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2118.324397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.324397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.324397 (E_RNA) where: Base-Base interactions energy: -1371.241 where: short stacking energy: -614.017 Base-Backbone interact. energy: -4.816 local terms energy: -742.266756 where: bonds (distance) C4'-P energy: -132.315 bonds (distance) P-C4' energy: -168.200 flat angles C4'-P-C4' energy: -171.597 flat angles P-C4'-P energy: -110.305 tors. eta vs tors. theta energy: -159.850 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: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1879.722225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.722225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.722225 (E_RNA) where: Base-Base interactions energy: -1233.723 where: short stacking energy: -539.182 Base-Backbone interact. energy: -2.501 local terms energy: -643.497415 where: bonds (distance) C4'-P energy: -140.550 bonds (distance) P-C4' energy: -127.605 flat angles C4'-P-C4' energy: -160.277 flat angles P-C4'-P energy: -88.665 tors. eta vs tors. theta energy: -126.401 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: 8, replica: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1279.807192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.807192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.807192 (E_RNA) where: Base-Base interactions energy: -729.400 where: short stacking energy: -347.387 Base-Backbone interact. energy: -4.822 local terms energy: -545.585050 where: bonds (distance) C4'-P energy: -148.402 bonds (distance) P-C4' energy: -128.002 flat angles C4'-P-C4' energy: -144.971 flat angles P-C4'-P energy: -79.501 tors. eta vs tors. theta energy: -44.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -873.179570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.179570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.179570 (E_RNA) where: Base-Base interactions energy: -420.054 where: short stacking energy: -230.135 Base-Backbone interact. energy: -2.220 local terms energy: -450.906393 where: bonds (distance) C4'-P energy: -144.531 bonds (distance) P-C4' energy: -146.138 flat angles C4'-P-C4' energy: -111.290 flat angles P-C4'-P energy: -56.331 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: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -716.419363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.419363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.419363 (E_RNA) where: Base-Base interactions energy: -307.658 where: short stacking energy: -188.446 Base-Backbone interact. energy: 10.447 local terms energy: -419.208425 where: bonds (distance) C4'-P energy: -132.428 bonds (distance) P-C4' energy: -145.204 flat angles C4'-P-C4' energy: -93.876 flat angles P-C4'-P energy: -70.966 tors. eta vs tors. theta energy: 23.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2946.369538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.369538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.369538 (E_RNA) where: Base-Base interactions energy: -2045.322 where: short stacking energy: -846.536 Base-Backbone interact. energy: -2.062 local terms energy: -898.986126 where: bonds (distance) C4'-P energy: -144.043 bonds (distance) P-C4' energy: -179.897 flat angles C4'-P-C4' energy: -198.807 flat angles P-C4'-P energy: -130.298 tors. eta vs tors. theta energy: -245.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2797.909076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.909076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.909076 (E_RNA) where: Base-Base interactions energy: -1934.191 where: short stacking energy: -835.708 Base-Backbone interact. energy: -5.823 local terms energy: -857.894815 where: bonds (distance) C4'-P energy: -146.283 bonds (distance) P-C4' energy: -157.398 flat angles C4'-P-C4' energy: -180.924 flat angles P-C4'-P energy: -121.370 tors. eta vs tors. theta energy: -251.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2666.591710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.591710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.591710 (E_RNA) where: Base-Base interactions energy: -1829.753 where: short stacking energy: -778.389 Base-Backbone interact. energy: -3.307 local terms energy: -833.532307 where: bonds (distance) C4'-P energy: -151.019 bonds (distance) P-C4' energy: -153.088 flat angles C4'-P-C4' energy: -179.820 flat angles P-C4'-P energy: -121.380 tors. eta vs tors. theta energy: -228.226 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: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2517.976768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.976768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.976768 (E_RNA) where: Base-Base interactions energy: -1716.958 where: short stacking energy: -745.333 Base-Backbone interact. energy: -3.783 local terms energy: -797.236520 where: bonds (distance) C4'-P energy: -146.260 bonds (distance) P-C4' energy: -151.085 flat angles C4'-P-C4' energy: -162.904 flat angles P-C4'-P energy: -119.442 tors. eta vs tors. theta energy: -217.545 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: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2359.829728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.829728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.829728 (E_RNA) where: Base-Base interactions energy: -1634.033 where: short stacking energy: -674.919 Base-Backbone interact. energy: 0.422 local terms energy: -726.218884 where: bonds (distance) C4'-P energy: -146.831 bonds (distance) P-C4' energy: -153.452 flat angles C4'-P-C4' energy: -153.311 flat angles P-C4'-P energy: -100.077 tors. eta vs tors. theta energy: -172.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2123.424612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.424612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.424612 (E_RNA) where: Base-Base interactions energy: -1443.192 where: short stacking energy: -633.258 Base-Backbone interact. energy: 2.272 local terms energy: -682.505463 where: bonds (distance) C4'-P energy: -107.872 bonds (distance) P-C4' energy: -130.395 flat angles C4'-P-C4' energy: -166.076 flat angles P-C4'-P energy: -99.756 tors. eta vs tors. theta energy: -178.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1969.963225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.963225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.963225 (E_RNA) where: Base-Base interactions energy: -1324.975 where: short stacking energy: -543.680 Base-Backbone interact. energy: -0.406 local terms energy: -644.582991 where: bonds (distance) C4'-P energy: -122.854 bonds (distance) P-C4' energy: -147.666 flat angles C4'-P-C4' energy: -146.809 flat angles P-C4'-P energy: -81.046 tors. eta vs tors. theta energy: -146.206 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: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1253.387106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.387106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.387106 (E_RNA) where: Base-Base interactions energy: -754.595 where: short stacking energy: -344.584 Base-Backbone interact. energy: -2.640 local terms energy: -496.151983 where: bonds (distance) C4'-P energy: -127.434 bonds (distance) P-C4' energy: -135.695 flat angles C4'-P-C4' energy: -130.629 flat angles P-C4'-P energy: -58.185 tors. eta vs tors. theta energy: -44.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -914.850229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.850229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.850229 (E_RNA) where: Base-Base interactions energy: -445.754 where: short stacking energy: -257.435 Base-Backbone interact. energy: 1.977 local terms energy: -471.072838 where: bonds (distance) C4'-P energy: -138.371 bonds (distance) P-C4' energy: -137.510 flat angles C4'-P-C4' energy: -129.811 flat angles P-C4'-P energy: -56.228 tors. eta vs tors. theta energy: -9.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -714.487250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.487250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.487250 (E_RNA) where: Base-Base interactions energy: -313.255 where: short stacking energy: -196.068 Base-Backbone interact. energy: 2.581 local terms energy: -403.813442 where: bonds (distance) C4'-P energy: -137.207 bonds (distance) P-C4' energy: -136.171 flat angles C4'-P-C4' energy: -115.042 flat angles P-C4'-P energy: -42.176 tors. eta vs tors. theta energy: 26.783 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: 4 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2925.662726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.662726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.662726 (E_RNA) where: Base-Base interactions energy: -2012.768 where: short stacking energy: -836.335 Base-Backbone interact. energy: -3.862 local terms energy: -909.033055 where: bonds (distance) C4'-P energy: -178.405 bonds (distance) P-C4' energy: -173.383 flat angles C4'-P-C4' energy: -185.696 flat angles P-C4'-P energy: -124.480 tors. eta vs tors. theta energy: -247.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2796.461566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.461566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.461566 (E_RNA) where: Base-Base interactions energy: -1948.486 where: short stacking energy: -811.942 Base-Backbone interact. energy: 0.358 local terms energy: -848.332992 where: bonds (distance) C4'-P energy: -167.989 bonds (distance) P-C4' energy: -154.298 flat angles C4'-P-C4' energy: -166.299 flat angles P-C4'-P energy: -119.846 tors. eta vs tors. theta energy: -239.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2720.537073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.537073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.537073 (E_RNA) where: Base-Base interactions energy: -1859.004 where: short stacking energy: -800.747 Base-Backbone interact. energy: -5.130 local terms energy: -856.403635 where: bonds (distance) C4'-P energy: -169.834 bonds (distance) P-C4' energy: -163.301 flat angles C4'-P-C4' energy: -177.021 flat angles P-C4'-P energy: -112.486 tors. eta vs tors. theta energy: -233.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2511.035313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.035313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.035313 (E_RNA) where: Base-Base interactions energy: -1686.704 where: short stacking energy: -732.097 Base-Backbone interact. energy: -1.122 local terms energy: -823.208803 where: bonds (distance) C4'-P energy: -154.689 bonds (distance) P-C4' energy: -170.100 flat angles C4'-P-C4' energy: -173.184 flat angles P-C4'-P energy: -109.123 tors. eta vs tors. theta energy: -216.112 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: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2374.763118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.763118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.763118 (E_RNA) where: Base-Base interactions energy: -1622.140 where: short stacking energy: -691.288 Base-Backbone interact. energy: 2.850 local terms energy: -755.472436 where: bonds (distance) C4'-P energy: -141.569 bonds (distance) P-C4' energy: -158.784 flat angles C4'-P-C4' energy: -151.731 flat angles P-C4'-P energy: -109.967 tors. eta vs tors. theta energy: -193.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2147.786326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.786326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.786326 (E_RNA) where: Base-Base interactions energy: -1414.501 where: short stacking energy: -587.125 Base-Backbone interact. energy: -1.012 local terms energy: -732.272890 where: bonds (distance) C4'-P energy: -156.079 bonds (distance) P-C4' energy: -149.141 flat angles C4'-P-C4' energy: -167.926 flat angles P-C4'-P energy: -108.195 tors. eta vs tors. theta energy: -150.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1964.165016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.165016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.165016 (E_RNA) where: Base-Base interactions energy: -1319.116 where: short stacking energy: -547.024 Base-Backbone interact. energy: 1.057 local terms energy: -646.105801 where: bonds (distance) C4'-P energy: -154.284 bonds (distance) P-C4' energy: -122.094 flat angles C4'-P-C4' energy: -152.180 flat angles P-C4'-P energy: -97.551 tors. eta vs tors. theta energy: -119.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1269.135040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.135040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.135040 (E_RNA) where: Base-Base interactions energy: -751.626 where: short stacking energy: -323.651 Base-Backbone interact. energy: -7.652 local terms energy: -509.856528 where: bonds (distance) C4'-P energy: -127.751 bonds (distance) P-C4' energy: -134.079 flat angles C4'-P-C4' energy: -116.501 flat angles P-C4'-P energy: -86.535 tors. eta vs tors. theta energy: -44.990 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: 9, replica: 3 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -833.105595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.105595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.105595 (E_RNA) where: Base-Base interactions energy: -378.186 where: short stacking energy: -235.110 Base-Backbone interact. energy: -0.738 local terms energy: -454.181375 where: bonds (distance) C4'-P energy: -138.868 bonds (distance) P-C4' energy: -153.934 flat angles C4'-P-C4' energy: -121.710 flat angles P-C4'-P energy: -51.451 tors. eta vs tors. theta energy: 11.782 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: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -692.930580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.930580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.930580 (E_RNA) where: Base-Base interactions energy: -291.171 where: short stacking energy: -196.883 Base-Backbone interact. energy: -0.104 local terms energy: -401.655618 where: bonds (distance) C4'-P energy: -128.510 bonds (distance) P-C4' energy: -129.867 flat angles C4'-P-C4' energy: -113.924 flat angles P-C4'-P energy: -60.938 tors. eta vs tors. theta energy: 31.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2952.849730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.849730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.849730 (E_RNA) where: Base-Base interactions energy: -2040.089 where: short stacking energy: -890.415 Base-Backbone interact. energy: -5.112 local terms energy: -907.649446 where: bonds (distance) C4'-P energy: -156.515 bonds (distance) P-C4' energy: -154.579 flat angles C4'-P-C4' energy: -198.631 flat angles P-C4'-P energy: -137.637 tors. eta vs tors. theta energy: -260.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2807.830333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.830333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.830333 (E_RNA) where: Base-Base interactions energy: -1932.317 where: short stacking energy: -813.860 Base-Backbone interact. energy: -2.112 local terms energy: -873.400975 where: bonds (distance) C4'-P energy: -175.284 bonds (distance) P-C4' energy: -152.515 flat angles C4'-P-C4' energy: -183.983 flat angles P-C4'-P energy: -126.565 tors. eta vs tors. theta energy: -235.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2735.568696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.568696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.568696 (E_RNA) where: Base-Base interactions energy: -1874.815 where: short stacking energy: -809.943 Base-Backbone interact. energy: -3.135 local terms energy: -857.618943 where: bonds (distance) C4'-P energy: -157.543 bonds (distance) P-C4' energy: -153.504 flat angles C4'-P-C4' energy: -183.906 flat angles P-C4'-P energy: -122.626 tors. eta vs tors. theta energy: -240.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2508.227852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.227852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.227852 (E_RNA) where: Base-Base interactions energy: -1703.785 where: short stacking energy: -742.004 Base-Backbone interact. energy: -4.341 local terms energy: -800.101922 where: bonds (distance) C4'-P energy: -148.429 bonds (distance) P-C4' energy: -146.570 flat angles C4'-P-C4' energy: -172.109 flat angles P-C4'-P energy: -111.155 tors. eta vs tors. theta energy: -221.839 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: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2296.466673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.466673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.466673 (E_RNA) where: Base-Base interactions energy: -1553.528 where: short stacking energy: -632.795 Base-Backbone interact. energy: -3.344 local terms energy: -739.594805 where: bonds (distance) C4'-P energy: -136.527 bonds (distance) P-C4' energy: -153.476 flat angles C4'-P-C4' energy: -165.914 flat angles P-C4'-P energy: -113.056 tors. eta vs tors. theta energy: -170.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2168.023884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.023884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.023884 (E_RNA) where: Base-Base interactions energy: -1420.324 where: short stacking energy: -647.405 Base-Backbone interact. energy: -2.301 local terms energy: -745.398245 where: bonds (distance) C4'-P energy: -126.607 bonds (distance) P-C4' energy: -154.298 flat angles C4'-P-C4' energy: -176.135 flat angles P-C4'-P energy: -112.046 tors. eta vs tors. theta energy: -176.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1927.126182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.126182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.126182 (E_RNA) where: Base-Base interactions energy: -1268.086 where: short stacking energy: -526.204 Base-Backbone interact. energy: -0.999 local terms energy: -658.041305 where: bonds (distance) C4'-P energy: -128.865 bonds (distance) P-C4' energy: -135.127 flat angles C4'-P-C4' energy: -158.824 flat angles P-C4'-P energy: -98.779 tors. eta vs tors. theta energy: -136.447 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: 8, replica: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1305.196992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.196992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.196992 (E_RNA) where: Base-Base interactions energy: -731.833 where: short stacking energy: -351.557 Base-Backbone interact. energy: 1.671 local terms energy: -575.035362 where: bonds (distance) C4'-P energy: -139.709 bonds (distance) P-C4' energy: -158.743 flat angles C4'-P-C4' energy: -145.247 flat angles P-C4'-P energy: -79.358 tors. eta vs tors. theta energy: -51.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -890.629309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.629309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.629309 (E_RNA) where: Base-Base interactions energy: -432.750 where: short stacking energy: -239.131 Base-Backbone interact. energy: 4.903 local terms energy: -462.782377 where: bonds (distance) C4'-P energy: -135.309 bonds (distance) P-C4' energy: -140.999 flat angles C4'-P-C4' energy: -110.025 flat angles P-C4'-P energy: -61.732 tors. eta vs tors. theta energy: -14.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -707.512866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.512866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.512866 (E_RNA) where: Base-Base interactions energy: -279.132 where: short stacking energy: -192.997 Base-Backbone interact. energy: 3.341 local terms energy: -431.722090 where: bonds (distance) C4'-P energy: -130.439 bonds (distance) P-C4' energy: -136.685 flat angles C4'-P-C4' energy: -92.162 flat angles P-C4'-P energy: -73.629 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: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2939.416428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.416428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.416428 (E_RNA) where: Base-Base interactions energy: -2039.350 where: short stacking energy: -850.489 Base-Backbone interact. energy: -4.421 local terms energy: -895.646218 where: bonds (distance) C4'-P energy: -177.296 bonds (distance) P-C4' energy: -164.733 flat angles C4'-P-C4' energy: -188.097 flat angles P-C4'-P energy: -121.698 tors. eta vs tors. theta energy: -243.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2783.992194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.992194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.992194 (E_RNA) where: Base-Base interactions energy: -1929.225 where: short stacking energy: -774.966 Base-Backbone interact. energy: -5.493 local terms energy: -849.274661 where: bonds (distance) C4'-P energy: -159.071 bonds (distance) P-C4' energy: -145.523 flat angles C4'-P-C4' energy: -175.223 flat angles P-C4'-P energy: -131.184 tors. eta vs tors. theta energy: -238.274 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: 2 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2717.600854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.600854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.600854 (E_RNA) where: Base-Base interactions energy: -1894.778 where: short stacking energy: -759.437 Base-Backbone interact. energy: -2.412 local terms energy: -820.411208 where: bonds (distance) C4'-P energy: -142.754 bonds (distance) P-C4' energy: -159.531 flat angles C4'-P-C4' energy: -184.053 flat angles P-C4'-P energy: -107.120 tors. eta vs tors. theta energy: -226.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2509.098090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.098090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.098090 (E_RNA) where: Base-Base interactions energy: -1709.259 where: short stacking energy: -736.961 Base-Backbone interact. energy: -4.288 local terms energy: -795.550453 where: bonds (distance) C4'-P energy: -110.223 bonds (distance) P-C4' energy: -156.988 flat angles C4'-P-C4' energy: -187.652 flat angles P-C4'-P energy: -114.029 tors. eta vs tors. theta energy: -226.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2353.802003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.802003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.802003 (E_RNA) where: Base-Base interactions energy: -1603.554 where: short stacking energy: -677.697 Base-Backbone interact. energy: -3.804 local terms energy: -746.443613 where: bonds (distance) C4'-P energy: -143.212 bonds (distance) P-C4' energy: -149.444 flat angles C4'-P-C4' energy: -169.048 flat angles P-C4'-P energy: -111.852 tors. eta vs tors. theta energy: -172.887 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: 7 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2140.852190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.852190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.852190 (E_RNA) where: Base-Base interactions energy: -1445.643 where: short stacking energy: -626.945 Base-Backbone interact. energy: 2.961 local terms energy: -698.169555 where: bonds (distance) C4'-P energy: -149.263 bonds (distance) P-C4' energy: -128.147 flat angles C4'-P-C4' energy: -151.643 flat angles P-C4'-P energy: -106.071 tors. eta vs tors. theta energy: -163.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1914.342663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.342663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.342663 (E_RNA) where: Base-Base interactions energy: -1252.075 where: short stacking energy: -573.387 Base-Backbone interact. energy: -3.691 local terms energy: -658.577452 where: bonds (distance) C4'-P energy: -117.109 bonds (distance) P-C4' energy: -151.949 flat angles C4'-P-C4' energy: -163.469 flat angles P-C4'-P energy: -91.901 tors. eta vs tors. theta energy: -134.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1338.273057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.273057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.273057 (E_RNA) where: Base-Base interactions energy: -765.122 where: short stacking energy: -371.189 Base-Backbone interact. energy: 0.213 local terms energy: -573.364132 where: bonds (distance) C4'-P energy: -139.926 bonds (distance) P-C4' energy: -150.076 flat angles C4'-P-C4' energy: -129.504 flat angles P-C4'-P energy: -93.907 tors. eta vs tors. theta energy: -59.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -884.299517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.299517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.299517 (E_RNA) where: Base-Base interactions energy: -421.042 where: short stacking energy: -271.466 Base-Backbone interact. energy: 1.384 local terms energy: -464.641224 where: bonds (distance) C4'-P energy: -128.331 bonds (distance) P-C4' energy: -135.311 flat angles C4'-P-C4' energy: -118.148 flat angles P-C4'-P energy: -69.881 tors. eta vs tors. theta energy: -12.970 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: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -708.825002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.825002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.825002 (E_RNA) where: Base-Base interactions energy: -287.502 where: short stacking energy: -189.714 Base-Backbone interact. energy: -1.045 local terms energy: -420.278518 where: bonds (distance) C4'-P energy: -148.846 bonds (distance) P-C4' energy: -141.155 flat angles C4'-P-C4' energy: -93.205 flat angles P-C4'-P energy: -59.950 tors. eta vs tors. theta energy: 22.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2931.152386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.152386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.152386 (E_RNA) where: Base-Base interactions energy: -2031.729 where: short stacking energy: -846.426 Base-Backbone interact. energy: -2.308 local terms energy: -897.115352 where: bonds (distance) C4'-P energy: -166.507 bonds (distance) P-C4' energy: -169.976 flat angles C4'-P-C4' energy: -183.194 flat angles P-C4'-P energy: -124.025 tors. eta vs tors. theta energy: -253.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2833.736029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.736029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.736029 (E_RNA) where: Base-Base interactions energy: -1955.775 where: short stacking energy: -797.439 Base-Backbone interact. energy: -2.281 local terms energy: -875.679777 where: bonds (distance) C4'-P energy: -161.819 bonds (distance) P-C4' energy: -158.479 flat angles C4'-P-C4' energy: -186.175 flat angles P-C4'-P energy: -134.277 tors. eta vs tors. theta energy: -234.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2687.349159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.349159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.349159 (E_RNA) where: Base-Base interactions energy: -1840.130 where: short stacking energy: -770.091 Base-Backbone interact. energy: -5.400 local terms energy: -841.818645 where: bonds (distance) C4'-P energy: -165.600 bonds (distance) P-C4' energy: -154.389 flat angles C4'-P-C4' energy: -177.681 flat angles P-C4'-P energy: -111.505 tors. eta vs tors. theta energy: -232.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2475.307903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.307903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.307903 (E_RNA) where: Base-Base interactions energy: -1676.673 where: short stacking energy: -711.018 Base-Backbone interact. energy: -1.835 local terms energy: -796.799395 where: bonds (distance) C4'-P energy: -148.071 bonds (distance) P-C4' energy: -167.285 flat angles C4'-P-C4' energy: -162.246 flat angles P-C4'-P energy: -120.101 tors. eta vs tors. theta energy: -199.097 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: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2364.829441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.829441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.829441 (E_RNA) where: Base-Base interactions energy: -1601.769 where: short stacking energy: -653.229 Base-Backbone interact. energy: -2.064 local terms energy: -760.995895 where: bonds (distance) C4'-P energy: -150.910 bonds (distance) P-C4' energy: -162.881 flat angles C4'-P-C4' energy: -177.792 flat angles P-C4'-P energy: -87.882 tors. eta vs tors. theta energy: -181.532 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: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2109.463838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.463838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.463838 (E_RNA) where: Base-Base interactions energy: -1407.725 where: short stacking energy: -612.982 Base-Backbone interact. energy: -0.965 local terms energy: -700.773196 where: bonds (distance) C4'-P energy: -136.962 bonds (distance) P-C4' energy: -137.841 flat angles C4'-P-C4' energy: -161.063 flat angles P-C4'-P energy: -100.800 tors. eta vs tors. theta energy: -164.107 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: 7, replica: 8 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1862.313121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.313121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.313121 (E_RNA) where: Base-Base interactions energy: -1203.612 where: short stacking energy: -530.993 Base-Backbone interact. energy: -2.257 local terms energy: -656.443618 where: bonds (distance) C4'-P energy: -144.138 bonds (distance) P-C4' energy: -133.585 flat angles C4'-P-C4' energy: -167.240 flat angles P-C4'-P energy: -84.225 tors. eta vs tors. theta energy: -127.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1344.486090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.486090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.486090 (E_RNA) where: Base-Base interactions energy: -781.316 where: short stacking energy: -390.870 Base-Backbone interact. energy: 0.810 local terms energy: -563.980398 where: bonds (distance) C4'-P energy: -133.067 bonds (distance) P-C4' energy: -142.180 flat angles C4'-P-C4' energy: -135.717 flat angles P-C4'-P energy: -79.116 tors. eta vs tors. theta energy: -73.900 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: 3 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -874.614312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.614312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.614312 (E_RNA) where: Base-Base interactions energy: -419.236 where: short stacking energy: -263.537 Base-Backbone interact. energy: -2.061 local terms energy: -453.318034 where: bonds (distance) C4'-P energy: -115.246 bonds (distance) P-C4' energy: -158.850 flat angles C4'-P-C4' energy: -107.151 flat angles P-C4'-P energy: -82.495 tors. eta vs tors. theta energy: 10.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -731.229774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.229774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.229774 (E_RNA) where: Base-Base interactions energy: -300.079 where: short stacking energy: -200.385 Base-Backbone interact. energy: -0.673 local terms energy: -430.477668 where: bonds (distance) C4'-P energy: -121.186 bonds (distance) P-C4' energy: -119.210 flat angles C4'-P-C4' energy: -117.059 flat angles P-C4'-P energy: -79.874 tors. eta vs tors. theta energy: 6.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2926.379186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.379186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.379186 (E_RNA) where: Base-Base interactions energy: -2057.592 where: short stacking energy: -864.529 Base-Backbone interact. energy: -3.732 local terms energy: -865.054655 where: bonds (distance) C4'-P energy: -161.357 bonds (distance) P-C4' energy: -162.572 flat angles C4'-P-C4' energy: -181.077 flat angles P-C4'-P energy: -118.308 tors. eta vs tors. theta energy: -241.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2818.482628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.482628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.482628 (E_RNA) where: Base-Base interactions energy: -1942.980 where: short stacking energy: -817.166 Base-Backbone interact. energy: -3.230 local terms energy: -872.272164 where: bonds (distance) C4'-P energy: -178.942 bonds (distance) P-C4' energy: -159.245 flat angles C4'-P-C4' energy: -179.158 flat angles P-C4'-P energy: -116.071 tors. eta vs tors. theta energy: -238.856 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: 3, replica: 2 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2693.143069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.143069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.143069 (E_RNA) where: Base-Base interactions energy: -1847.033 where: short stacking energy: -791.940 Base-Backbone interact. energy: 1.981 local terms energy: -848.090344 where: bonds (distance) C4'-P energy: -141.662 bonds (distance) P-C4' energy: -166.592 flat angles C4'-P-C4' energy: -189.472 flat angles P-C4'-P energy: -120.182 tors. eta vs tors. theta energy: -230.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2476.619317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.619317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.619317 (E_RNA) where: Base-Base interactions energy: -1690.276 where: short stacking energy: -712.249 Base-Backbone interact. energy: -6.270 local terms energy: -780.073825 where: bonds (distance) C4'-P energy: -151.689 bonds (distance) P-C4' energy: -148.135 flat angles C4'-P-C4' energy: -162.347 flat angles P-C4'-P energy: -114.098 tors. eta vs tors. theta energy: -203.805 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: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2390.956606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.956606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.956606 (E_RNA) where: Base-Base interactions energy: -1617.607 where: short stacking energy: -700.964 Base-Backbone interact. energy: 0.036 local terms energy: -773.385368 where: bonds (distance) C4'-P energy: -145.047 bonds (distance) P-C4' energy: -147.515 flat angles C4'-P-C4' energy: -176.691 flat angles P-C4'-P energy: -112.829 tors. eta vs tors. theta energy: -191.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2171.711132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.711132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.711132 (E_RNA) where: Base-Base interactions energy: -1457.209 where: short stacking energy: -624.671 Base-Backbone interact. energy: 6.640 local terms energy: -721.142177 where: bonds (distance) C4'-P energy: -141.303 bonds (distance) P-C4' energy: -134.364 flat angles C4'-P-C4' energy: -161.467 flat angles P-C4'-P energy: -94.188 tors. eta vs tors. theta energy: -189.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1896.647468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.647468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.647468 (E_RNA) where: Base-Base interactions energy: -1227.860 where: short stacking energy: -521.019 Base-Backbone interact. energy: -4.567 local terms energy: -664.220639 where: bonds (distance) C4'-P energy: -146.379 bonds (distance) P-C4' energy: -163.023 flat angles C4'-P-C4' energy: -145.354 flat angles P-C4'-P energy: -97.256 tors. eta vs tors. theta energy: -112.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1369.997464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.997464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.997464 (E_RNA) where: Base-Base interactions energy: -777.840 where: short stacking energy: -386.108 Base-Backbone interact. energy: 0.887 local terms energy: -593.044337 where: bonds (distance) C4'-P energy: -129.291 bonds (distance) P-C4' energy: -151.688 flat angles C4'-P-C4' energy: -144.442 flat angles P-C4'-P energy: -93.924 tors. eta vs tors. theta energy: -73.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -925.793535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.793535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.793535 (E_RNA) where: Base-Base interactions energy: -486.259 where: short stacking energy: -266.374 Base-Backbone interact. energy: 6.202 local terms energy: -445.736540 where: bonds (distance) C4'-P energy: -132.900 bonds (distance) P-C4' energy: -126.823 flat angles C4'-P-C4' energy: -129.606 flat angles P-C4'-P energy: -65.750 tors. eta vs tors. theta energy: 9.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -710.433554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.433554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.433554 (E_RNA) where: Base-Base interactions energy: -332.353 where: short stacking energy: -202.665 Base-Backbone interact. energy: -2.638 local terms energy: -375.442224 where: bonds (distance) C4'-P energy: -103.953 bonds (distance) P-C4' energy: -143.572 flat angles C4'-P-C4' energy: -128.392 flat angles P-C4'-P energy: -29.254 tors. eta vs tors. theta energy: 29.728 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: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2915.781675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.781675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.781675 (E_RNA) where: Base-Base interactions energy: -2049.279 where: short stacking energy: -852.704 Base-Backbone interact. energy: -1.953 local terms energy: -864.549853 where: bonds (distance) C4'-P energy: -163.000 bonds (distance) P-C4' energy: -158.091 flat angles C4'-P-C4' energy: -174.159 flat angles P-C4'-P energy: -130.278 tors. eta vs tors. theta energy: -239.021 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: 5 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2829.560251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.560251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.560251 (E_RNA) where: Base-Base interactions energy: -1934.938 where: short stacking energy: -810.871 Base-Backbone interact. energy: -7.025 local terms energy: -887.597659 where: bonds (distance) C4'-P energy: -165.457 bonds (distance) P-C4' energy: -181.286 flat angles C4'-P-C4' energy: -181.867 flat angles P-C4'-P energy: -116.547 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: 3, replica: 2 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2733.791590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.791590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.791590 (E_RNA) where: Base-Base interactions energy: -1888.140 where: short stacking energy: -798.695 Base-Backbone interact. energy: -0.633 local terms energy: -845.018421 where: bonds (distance) C4'-P energy: -152.699 bonds (distance) P-C4' energy: -161.032 flat angles C4'-P-C4' energy: -180.101 flat angles P-C4'-P energy: -115.942 tors. eta vs tors. theta energy: -235.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2527.497013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.497013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.497013 (E_RNA) where: Base-Base interactions energy: -1737.184 where: short stacking energy: -748.352 Base-Backbone interact. energy: -2.027 local terms energy: -788.286029 where: bonds (distance) C4'-P energy: -154.529 bonds (distance) P-C4' energy: -154.703 flat angles C4'-P-C4' energy: -174.284 flat angles P-C4'-P energy: -89.384 tors. eta vs tors. theta energy: -215.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2366.995477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.995477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.995477 (E_RNA) where: Base-Base interactions energy: -1649.925 where: short stacking energy: -672.640 Base-Backbone interact. energy: 1.847 local terms energy: -718.917698 where: bonds (distance) C4'-P energy: -131.370 bonds (distance) P-C4' energy: -149.187 flat angles C4'-P-C4' energy: -174.209 flat angles P-C4'-P energy: -85.054 tors. eta vs tors. theta energy: -179.097 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: 6, replica: 7 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2122.994227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.994227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.994227 (E_RNA) where: Base-Base interactions energy: -1411.970 where: short stacking energy: -621.734 Base-Backbone interact. energy: -1.664 local terms energy: -709.359939 where: bonds (distance) C4'-P energy: -158.754 bonds (distance) P-C4' energy: -129.643 flat angles C4'-P-C4' energy: -162.638 flat angles P-C4'-P energy: -85.123 tors. eta vs tors. theta energy: -173.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1975.361120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.361120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.361120 (E_RNA) where: Base-Base interactions energy: -1330.655 where: short stacking energy: -579.562 Base-Backbone interact. energy: -3.101 local terms energy: -641.604761 where: bonds (distance) C4'-P energy: -124.589 bonds (distance) P-C4' energy: -137.166 flat angles C4'-P-C4' energy: -150.358 flat angles P-C4'-P energy: -85.751 tors. eta vs tors. theta energy: -143.741 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: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1385.037690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.037690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.037690 (E_RNA) where: Base-Base interactions energy: -833.739 where: short stacking energy: -390.666 Base-Backbone interact. energy: 0.362 local terms energy: -551.660690 where: bonds (distance) C4'-P energy: -136.234 bonds (distance) P-C4' energy: -141.519 flat angles C4'-P-C4' energy: -141.025 flat angles P-C4'-P energy: -83.650 tors. eta vs tors. theta energy: -49.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -965.569797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.569797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.569797 (E_RNA) where: Base-Base interactions energy: -521.442 where: short stacking energy: -307.499 Base-Backbone interact. energy: 2.099 local terms energy: -446.226247 where: bonds (distance) C4'-P energy: -123.755 bonds (distance) P-C4' energy: -124.929 flat angles C4'-P-C4' energy: -105.531 flat angles P-C4'-P energy: -74.609 tors. eta vs tors. theta energy: -17.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -697.018114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.018114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.018114 (E_RNA) where: Base-Base interactions energy: -301.483 where: short stacking energy: -217.161 Base-Backbone interact. energy: 10.283 local terms energy: -405.817740 where: bonds (distance) C4'-P energy: -112.994 bonds (distance) P-C4' energy: -147.061 flat angles C4'-P-C4' energy: -100.055 flat angles P-C4'-P energy: -49.028 tors. eta vs tors. theta energy: 3.321 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: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2920.267519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.267519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.267519 (E_RNA) where: Base-Base interactions energy: -2013.342 where: short stacking energy: -846.156 Base-Backbone interact. energy: -2.742 local terms energy: -904.183216 where: bonds (distance) C4'-P energy: -156.526 bonds (distance) P-C4' energy: -173.192 flat angles C4'-P-C4' energy: -197.566 flat angles P-C4'-P energy: -131.452 tors. eta vs tors. theta energy: -245.447 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: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2840.343946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.343946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.343946 (E_RNA) where: Base-Base interactions energy: -1977.385 where: short stacking energy: -812.463 Base-Backbone interact. energy: -1.324 local terms energy: -861.634377 where: bonds (distance) C4'-P energy: -150.303 bonds (distance) P-C4' energy: -160.527 flat angles C4'-P-C4' energy: -191.424 flat angles P-C4'-P energy: -108.357 tors. eta vs tors. theta energy: -251.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2704.283876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.283876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.283876 (E_RNA) where: Base-Base interactions energy: -1853.963 where: short stacking energy: -795.424 Base-Backbone interact. energy: -4.750 local terms energy: -845.570454 where: bonds (distance) C4'-P energy: -143.015 bonds (distance) P-C4' energy: -150.925 flat angles C4'-P-C4' energy: -185.916 flat angles P-C4'-P energy: -119.986 tors. eta vs tors. theta energy: -245.729 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: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2597.331969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.331969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.331969 (E_RNA) where: Base-Base interactions energy: -1768.736 where: short stacking energy: -759.899 Base-Backbone interact. energy: -0.380 local terms energy: -828.216425 where: bonds (distance) C4'-P energy: -146.500 bonds (distance) P-C4' energy: -153.895 flat angles C4'-P-C4' energy: -177.801 flat angles P-C4'-P energy: -112.682 tors. eta vs tors. theta energy: -237.337 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: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2338.090652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.090652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.090652 (E_RNA) where: Base-Base interactions energy: -1605.245 where: short stacking energy: -679.856 Base-Backbone interact. energy: -2.966 local terms energy: -729.879362 where: bonds (distance) C4'-P energy: -142.220 bonds (distance) P-C4' energy: -145.331 flat angles C4'-P-C4' energy: -163.969 flat angles P-C4'-P energy: -113.271 tors. eta vs tors. theta energy: -165.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2121.107043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.107043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.107043 (E_RNA) where: Base-Base interactions energy: -1415.746 where: short stacking energy: -655.278 Base-Backbone interact. energy: -3.326 local terms energy: -702.034581 where: bonds (distance) C4'-P energy: -137.505 bonds (distance) P-C4' energy: -134.846 flat angles C4'-P-C4' energy: -163.236 flat angles P-C4'-P energy: -99.739 tors. eta vs tors. theta energy: -166.708 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: 7, replica: 8 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1955.912094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.912094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.912094 (E_RNA) where: Base-Base interactions energy: -1313.365 where: short stacking energy: -544.747 Base-Backbone interact. energy: -6.329 local terms energy: -636.217841 where: bonds (distance) C4'-P energy: -142.150 bonds (distance) P-C4' energy: -122.079 flat angles C4'-P-C4' energy: -148.732 flat angles P-C4'-P energy: -92.276 tors. eta vs tors. theta energy: -130.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1445.469334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.469334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.469334 (E_RNA) where: Base-Base interactions energy: -891.851 where: short stacking energy: -384.363 Base-Backbone interact. energy: 0.237 local terms energy: -553.855184 where: bonds (distance) C4'-P energy: -143.182 bonds (distance) P-C4' energy: -139.768 flat angles C4'-P-C4' energy: -136.494 flat angles P-C4'-P energy: -81.618 tors. eta vs tors. theta energy: -52.793 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: 3 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -964.857660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.857660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.857660 (E_RNA) where: Base-Base interactions energy: -471.603 where: short stacking energy: -253.431 Base-Backbone interact. energy: -0.918 local terms energy: -492.336339 where: bonds (distance) C4'-P energy: -126.450 bonds (distance) P-C4' energy: -151.828 flat angles C4'-P-C4' energy: -122.775 flat angles P-C4'-P energy: -90.077 tors. eta vs tors. theta energy: -1.206 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: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -722.520317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.520317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.520317 (E_RNA) where: Base-Base interactions energy: -294.133 where: short stacking energy: -209.833 Base-Backbone interact. energy: 3.003 local terms energy: -431.389538 where: bonds (distance) C4'-P energy: -126.326 bonds (distance) P-C4' energy: -136.322 flat angles C4'-P-C4' energy: -115.996 flat angles P-C4'-P energy: -73.015 tors. eta vs tors. theta energy: 20.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2930.202209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.202209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.202209 (E_RNA) where: Base-Base interactions energy: -2046.637 where: short stacking energy: -869.697 Base-Backbone interact. energy: -1.161 local terms energy: -882.403968 where: bonds (distance) C4'-P energy: -150.481 bonds (distance) P-C4' energy: -172.579 flat angles C4'-P-C4' energy: -187.065 flat angles P-C4'-P energy: -116.780 tors. eta vs tors. theta energy: -255.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2832.429530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.429530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.429530 (E_RNA) where: Base-Base interactions energy: -1973.114 where: short stacking energy: -813.468 Base-Backbone interact. energy: -1.572 local terms energy: -857.744061 where: bonds (distance) C4'-P energy: -157.606 bonds (distance) P-C4' energy: -153.070 flat angles C4'-P-C4' energy: -179.108 flat angles P-C4'-P energy: -134.590 tors. eta vs tors. theta energy: -233.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2745.249119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.249119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.249119 (E_RNA) where: Base-Base interactions energy: -1880.449 where: short stacking energy: -773.248 Base-Backbone interact. energy: -3.944 local terms energy: -860.856003 where: bonds (distance) C4'-P energy: -162.786 bonds (distance) P-C4' energy: -153.954 flat angles C4'-P-C4' energy: -178.195 flat angles P-C4'-P energy: -133.257 tors. eta vs tors. theta energy: -232.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2524.359576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.359576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.359576 (E_RNA) where: Base-Base interactions energy: -1718.476 where: short stacking energy: -730.319 Base-Backbone interact. energy: -3.217 local terms energy: -802.666718 where: bonds (distance) C4'-P energy: -136.802 bonds (distance) P-C4' energy: -153.019 flat angles C4'-P-C4' energy: -190.481 flat angles P-C4'-P energy: -116.851 tors. eta vs tors. theta energy: -205.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2342.598256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.598256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.598256 (E_RNA) where: Base-Base interactions energy: -1597.891 where: short stacking energy: -654.435 Base-Backbone interact. energy: -1.498 local terms energy: -743.209478 where: bonds (distance) C4'-P energy: -138.754 bonds (distance) P-C4' energy: -148.332 flat angles C4'-P-C4' energy: -165.401 flat angles P-C4'-P energy: -115.282 tors. eta vs tors. theta energy: -175.441 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: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2111.385193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.385193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.385193 (E_RNA) where: Base-Base interactions energy: -1437.115 where: short stacking energy: -625.573 Base-Backbone interact. energy: -2.799 local terms energy: -671.470528 where: bonds (distance) C4'-P energy: -120.172 bonds (distance) P-C4' energy: -125.399 flat angles C4'-P-C4' energy: -153.132 flat angles P-C4'-P energy: -99.490 tors. eta vs tors. theta energy: -173.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1923.561393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.561393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.561393 (E_RNA) where: Base-Base interactions energy: -1279.994 where: short stacking energy: -555.526 Base-Backbone interact. energy: 1.983 local terms energy: -645.549623 where: bonds (distance) C4'-P energy: -145.362 bonds (distance) P-C4' energy: -134.196 flat angles C4'-P-C4' energy: -160.759 flat angles P-C4'-P energy: -82.871 tors. eta vs tors. theta energy: -122.362 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: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1498.844254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.844254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.844254 (E_RNA) where: Base-Base interactions energy: -896.637 where: short stacking energy: -411.498 Base-Backbone interact. energy: 5.003 local terms energy: -607.210504 where: bonds (distance) C4'-P energy: -143.066 bonds (distance) P-C4' energy: -161.187 flat angles C4'-P-C4' energy: -135.586 flat angles P-C4'-P energy: -91.454 tors. eta vs tors. theta energy: -75.918 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: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1050.450823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.450823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.450823 (E_RNA) where: Base-Base interactions energy: -601.954 where: short stacking energy: -299.431 Base-Backbone interact. energy: -0.505 local terms energy: -447.991785 where: bonds (distance) C4'-P energy: -120.998 bonds (distance) P-C4' energy: -148.211 flat angles C4'-P-C4' energy: -114.574 flat angles P-C4'-P energy: -59.631 tors. eta vs tors. theta energy: -4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -723.806083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.806083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.806083 (E_RNA) where: Base-Base interactions energy: -289.724 where: short stacking energy: -186.948 Base-Backbone interact. energy: -5.279 local terms energy: -428.803276 where: bonds (distance) C4'-P energy: -131.661 bonds (distance) P-C4' energy: -158.234 flat angles C4'-P-C4' energy: -109.345 flat angles P-C4'-P energy: -58.264 tors. eta vs tors. theta energy: 28.701 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: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2951.285097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.285097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.285097 (E_RNA) where: Base-Base interactions energy: -2055.814 where: short stacking energy: -868.167 Base-Backbone interact. energy: -2.641 local terms energy: -892.829462 where: bonds (distance) C4'-P energy: -171.474 bonds (distance) P-C4' energy: -163.726 flat angles C4'-P-C4' energy: -181.300 flat angles P-C4'-P energy: -124.170 tors. eta vs tors. theta energy: -252.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2824.900494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.900494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.900494 (E_RNA) where: Base-Base interactions energy: -1945.115 where: short stacking energy: -792.180 Base-Backbone interact. energy: -3.748 local terms energy: -876.037934 where: bonds (distance) C4'-P energy: -157.249 bonds (distance) P-C4' energy: -167.244 flat angles C4'-P-C4' energy: -182.946 flat angles P-C4'-P energy: -124.751 tors. eta vs tors. theta energy: -243.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2758.691720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.691720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.691720 (E_RNA) where: Base-Base interactions energy: -1909.908 where: short stacking energy: -809.283 Base-Backbone interact. energy: -1.668 local terms energy: -847.115231 where: bonds (distance) C4'-P energy: -156.135 bonds (distance) P-C4' energy: -137.597 flat angles C4'-P-C4' energy: -186.799 flat angles P-C4'-P energy: -116.737 tors. eta vs tors. theta energy: -249.847 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: 4, replica: 9 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2532.045374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.045374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.045374 (E_RNA) where: Base-Base interactions energy: -1712.282 where: short stacking energy: -728.678 Base-Backbone interact. energy: -3.043 local terms energy: -816.720791 where: bonds (distance) C4'-P energy: -153.856 bonds (distance) P-C4' energy: -163.884 flat angles C4'-P-C4' energy: -167.766 flat angles P-C4'-P energy: -120.370 tors. eta vs tors. theta energy: -210.845 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: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2361.322003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.322003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.322003 (E_RNA) where: Base-Base interactions energy: -1611.226 where: short stacking energy: -670.762 Base-Backbone interact. energy: 0.716 local terms energy: -750.811704 where: bonds (distance) C4'-P energy: -141.384 bonds (distance) P-C4' energy: -149.113 flat angles C4'-P-C4' energy: -163.675 flat angles P-C4'-P energy: -106.536 tors. eta vs tors. theta energy: -190.104 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: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2110.940453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.940453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.940453 (E_RNA) where: Base-Base interactions energy: -1417.151 where: short stacking energy: -620.718 Base-Backbone interact. energy: -2.689 local terms energy: -691.100592 where: bonds (distance) C4'-P energy: -122.471 bonds (distance) P-C4' energy: -139.995 flat angles C4'-P-C4' energy: -151.684 flat angles P-C4'-P energy: -105.304 tors. eta vs tors. theta energy: -171.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1902.583536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.583536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.583536 (E_RNA) where: Base-Base interactions energy: -1234.267 where: short stacking energy: -551.323 Base-Backbone interact. energy: 1.700 local terms energy: -670.016444 where: bonds (distance) C4'-P energy: -137.970 bonds (distance) P-C4' energy: -152.660 flat angles C4'-P-C4' energy: -147.298 flat angles P-C4'-P energy: -93.973 tors. eta vs tors. theta energy: -138.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1419.234293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.234293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.234293 (E_RNA) where: Base-Base interactions energy: -863.859 where: short stacking energy: -416.856 Base-Backbone interact. energy: -3.693 local terms energy: -551.682274 where: bonds (distance) C4'-P energy: -131.903 bonds (distance) P-C4' energy: -131.989 flat angles C4'-P-C4' energy: -138.365 flat angles P-C4'-P energy: -90.074 tors. eta vs tors. theta energy: -59.351 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: 359 Temperature: 1.300000 Total energy: -1004.583820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.583820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.583820 (E_RNA) where: Base-Base interactions energy: -533.332 where: short stacking energy: -260.559 Base-Backbone interact. energy: -0.987 local terms energy: -470.264658 where: bonds (distance) C4'-P energy: -129.302 bonds (distance) P-C4' energy: -146.603 flat angles C4'-P-C4' energy: -129.257 flat angles P-C4'-P energy: -57.295 tors. eta vs tors. theta energy: -7.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -737.991070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.991070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.991070 (E_RNA) where: Base-Base interactions energy: -328.006 where: short stacking energy: -185.332 Base-Backbone interact. energy: 3.211 local terms energy: -413.196336 where: bonds (distance) C4'-P energy: -116.212 bonds (distance) P-C4' energy: -138.815 flat angles C4'-P-C4' energy: -110.916 flat angles P-C4'-P energy: -74.531 tors. eta vs tors. theta energy: 27.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2904.768449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.768449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.768449 (E_RNA) where: Base-Base interactions energy: -2016.221 where: short stacking energy: -829.992 Base-Backbone interact. energy: -3.127 local terms energy: -885.421275 where: bonds (distance) C4'-P energy: -165.566 bonds (distance) P-C4' energy: -159.193 flat angles C4'-P-C4' energy: -186.478 flat angles P-C4'-P energy: -126.730 tors. eta vs tors. theta energy: -247.454 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: 2, replica: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2816.569513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.569513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.569513 (E_RNA) where: Base-Base interactions energy: -1951.049 where: short stacking energy: -805.111 Base-Backbone interact. energy: 0.179 local terms energy: -865.699615 where: bonds (distance) C4'-P energy: -142.750 bonds (distance) P-C4' energy: -172.923 flat angles C4'-P-C4' energy: -194.282 flat angles P-C4'-P energy: -119.025 tors. eta vs tors. theta energy: -236.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2780.519208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.519208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.519208 (E_RNA) where: Base-Base interactions energy: -1903.842 where: short stacking energy: -817.057 Base-Backbone interact. energy: -4.779 local terms energy: -871.897845 where: bonds (distance) C4'-P energy: -151.119 bonds (distance) P-C4' energy: -169.374 flat angles C4'-P-C4' energy: -178.420 flat angles P-C4'-P energy: -122.213 tors. eta vs tors. theta energy: -250.772 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: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2472.035162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.035162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.035162 (E_RNA) where: Base-Base interactions energy: -1664.789 where: short stacking energy: -700.182 Base-Backbone interact. energy: -2.183 local terms energy: -805.063056 where: bonds (distance) C4'-P energy: -149.392 bonds (distance) P-C4' energy: -168.277 flat angles C4'-P-C4' energy: -178.880 flat angles P-C4'-P energy: -96.195 tors. eta vs tors. theta energy: -212.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2319.555684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.555684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.555684 (E_RNA) where: Base-Base interactions energy: -1597.808 where: short stacking energy: -664.737 Base-Backbone interact. energy: -0.535 local terms energy: -721.213143 where: bonds (distance) C4'-P energy: -144.076 bonds (distance) P-C4' energy: -145.564 flat angles C4'-P-C4' energy: -151.020 flat angles P-C4'-P energy: -105.286 tors. eta vs tors. theta energy: -175.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2082.353707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.353707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.353707 (E_RNA) where: Base-Base interactions energy: -1375.062 where: short stacking energy: -556.765 Base-Backbone interact. energy: -2.184 local terms energy: -705.107606 where: bonds (distance) C4'-P energy: -140.400 bonds (distance) P-C4' energy: -137.838 flat angles C4'-P-C4' energy: -175.674 flat angles P-C4'-P energy: -102.197 tors. eta vs tors. theta energy: -149.000 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: 8 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1975.223979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.223979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.223979 (E_RNA) where: Base-Base interactions energy: -1328.988 where: short stacking energy: -567.105 Base-Backbone interact. energy: 5.950 local terms energy: -652.185843 where: bonds (distance) C4'-P energy: -147.518 bonds (distance) P-C4' energy: -121.433 flat angles C4'-P-C4' energy: -141.910 flat angles P-C4'-P energy: -100.249 tors. eta vs tors. theta energy: -141.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1458.680014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.680014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.680014 (E_RNA) where: Base-Base interactions energy: -931.010 where: short stacking energy: -391.382 Base-Backbone interact. energy: -2.970 local terms energy: -524.699904 where: bonds (distance) C4'-P energy: -111.426 bonds (distance) P-C4' energy: -141.308 flat angles C4'-P-C4' energy: -135.732 flat angles P-C4'-P energy: -72.948 tors. eta vs tors. theta energy: -63.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1058.462295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.462295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.462295 (E_RNA) where: Base-Base interactions energy: -571.578 where: short stacking energy: -313.181 Base-Backbone interact. energy: 1.461 local terms energy: -488.345365 where: bonds (distance) C4'-P energy: -125.784 bonds (distance) P-C4' energy: -157.749 flat angles C4'-P-C4' energy: -102.174 flat angles P-C4'-P energy: -85.934 tors. eta vs tors. theta energy: -16.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -714.426847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.426847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.426847 (E_RNA) where: Base-Base interactions energy: -293.063 where: short stacking energy: -211.563 Base-Backbone interact. energy: -1.087 local terms energy: -420.276815 where: bonds (distance) C4'-P energy: -130.560 bonds (distance) P-C4' energy: -132.523 flat angles C4'-P-C4' energy: -105.900 flat angles P-C4'-P energy: -72.494 tors. eta vs tors. theta energy: 21.200 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: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2926.889136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.889136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.889136 (E_RNA) where: Base-Base interactions energy: -2017.685 where: short stacking energy: -855.142 Base-Backbone interact. energy: -7.655 local terms energy: -901.549298 where: bonds (distance) C4'-P energy: -164.636 bonds (distance) P-C4' energy: -160.209 flat angles C4'-P-C4' energy: -195.447 flat angles P-C4'-P energy: -129.374 tors. eta vs tors. theta energy: -251.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2825.745999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.745999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.745999 (E_RNA) where: Base-Base interactions energy: -1949.389 where: short stacking energy: -817.092 Base-Backbone interact. energy: -0.769 local terms energy: -875.587954 where: bonds (distance) C4'-P energy: -159.960 bonds (distance) P-C4' energy: -166.121 flat angles C4'-P-C4' energy: -180.609 flat angles P-C4'-P energy: -128.498 tors. eta vs tors. theta energy: -240.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2722.753122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.753122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.753122 (E_RNA) where: Base-Base interactions energy: -1879.425 where: short stacking energy: -792.355 Base-Backbone interact. energy: 0.464 local terms energy: -843.792258 where: bonds (distance) C4'-P energy: -154.540 bonds (distance) P-C4' energy: -144.172 flat angles C4'-P-C4' energy: -185.488 flat angles P-C4'-P energy: -122.515 tors. eta vs tors. theta energy: -237.077 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: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2451.328136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.328136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.328136 (E_RNA) where: Base-Base interactions energy: -1665.644 where: short stacking energy: -714.665 Base-Backbone interact. energy: -0.288 local terms energy: -785.396504 where: bonds (distance) C4'-P energy: -131.090 bonds (distance) P-C4' energy: -153.015 flat angles C4'-P-C4' energy: -181.233 flat angles P-C4'-P energy: -118.628 tors. eta vs tors. theta energy: -201.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2295.033145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.033145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.033145 (E_RNA) where: Base-Base interactions energy: -1582.673 where: short stacking energy: -649.414 Base-Backbone interact. energy: -2.535 local terms energy: -709.826033 where: bonds (distance) C4'-P energy: -141.110 bonds (distance) P-C4' energy: -142.303 flat angles C4'-P-C4' energy: -155.494 flat angles P-C4'-P energy: -86.707 tors. eta vs tors. theta energy: -184.213 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: 361 Temperature: 1.150000 Total energy: -2065.355125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.355125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.355125 (E_RNA) where: Base-Base interactions energy: -1361.375 where: short stacking energy: -586.371 Base-Backbone interact. energy: -0.870 local terms energy: -703.109858 where: bonds (distance) C4'-P energy: -146.734 bonds (distance) P-C4' energy: -136.226 flat angles C4'-P-C4' energy: -172.921 flat angles P-C4'-P energy: -97.294 tors. eta vs tors. theta energy: -149.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1938.054128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.054128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.054128 (E_RNA) where: Base-Base interactions energy: -1287.839 where: short stacking energy: -558.260 Base-Backbone interact. energy: -1.747 local terms energy: -648.467728 where: bonds (distance) C4'-P energy: -136.498 bonds (distance) P-C4' energy: -148.635 flat angles C4'-P-C4' energy: -143.545 flat angles P-C4'-P energy: -83.602 tors. eta vs tors. theta energy: -136.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1448.744414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.744414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.744414 (E_RNA) where: Base-Base interactions energy: -921.337 where: short stacking energy: -417.532 Base-Backbone interact. energy: -0.833 local terms energy: -526.574817 where: bonds (distance) C4'-P energy: -125.143 bonds (distance) P-C4' energy: -128.864 flat angles C4'-P-C4' energy: -121.983 flat angles P-C4'-P energy: -73.086 tors. eta vs tors. theta energy: -77.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1050.548279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.548279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.548279 (E_RNA) where: Base-Base interactions energy: -562.769 where: short stacking energy: -314.395 Base-Backbone interact. energy: -0.098 local terms energy: -487.680768 where: bonds (distance) C4'-P energy: -126.965 bonds (distance) P-C4' energy: -139.877 flat angles C4'-P-C4' energy: -123.692 flat angles P-C4'-P energy: -80.640 tors. eta vs tors. theta energy: -16.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -708.489595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.489595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.489595 (E_RNA) where: Base-Base interactions energy: -294.461 where: short stacking energy: -205.697 Base-Backbone interact. energy: 4.740 local terms energy: -418.769292 where: bonds (distance) C4'-P energy: -135.219 bonds (distance) P-C4' energy: -145.911 flat angles C4'-P-C4' energy: -97.775 flat angles P-C4'-P energy: -58.468 tors. eta vs tors. theta energy: 18.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2917.991984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.991984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.991984 (E_RNA) where: Base-Base interactions energy: -2023.169 where: short stacking energy: -844.149 Base-Backbone interact. energy: 0.921 local terms energy: -895.744495 where: bonds (distance) C4'-P energy: -157.637 bonds (distance) P-C4' energy: -167.413 flat angles C4'-P-C4' energy: -197.139 flat angles P-C4'-P energy: -118.108 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: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2809.551859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.551859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.551859 (E_RNA) where: Base-Base interactions energy: -1902.301 where: short stacking energy: -813.280 Base-Backbone interact. energy: -0.745 local terms energy: -906.505659 where: bonds (distance) C4'-P energy: -175.994 bonds (distance) P-C4' energy: -166.284 flat angles C4'-P-C4' energy: -188.553 flat angles P-C4'-P energy: -132.110 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: 2 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2751.648579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.648579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.648579 (E_RNA) where: Base-Base interactions energy: -1888.611 where: short stacking energy: -773.260 Base-Backbone interact. energy: -3.913 local terms energy: -859.124866 where: bonds (distance) C4'-P energy: -158.686 bonds (distance) P-C4' energy: -157.383 flat angles C4'-P-C4' energy: -176.293 flat angles P-C4'-P energy: -127.764 tors. eta vs tors. theta energy: -238.998 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: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2487.972652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.972652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.972652 (E_RNA) where: Base-Base interactions energy: -1710.631 where: short stacking energy: -718.401 Base-Backbone interact. energy: -0.529 local terms energy: -776.812531 where: bonds (distance) C4'-P energy: -144.131 bonds (distance) P-C4' energy: -151.664 flat angles C4'-P-C4' energy: -178.787 flat angles P-C4'-P energy: -92.532 tors. eta vs tors. theta energy: -209.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2326.116251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.116251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.116251 (E_RNA) where: Base-Base interactions energy: -1603.794 where: short stacking energy: -681.201 Base-Backbone interact. energy: -0.356 local terms energy: -721.966311 where: bonds (distance) C4'-P energy: -127.559 bonds (distance) P-C4' energy: -145.360 flat angles C4'-P-C4' energy: -159.344 flat angles P-C4'-P energy: -113.513 tors. eta vs tors. theta energy: -176.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2062.684538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.684538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.684538 (E_RNA) where: Base-Base interactions energy: -1372.876 where: short stacking energy: -633.712 Base-Backbone interact. energy: -3.798 local terms energy: -686.011045 where: bonds (distance) C4'-P energy: -127.810 bonds (distance) P-C4' energy: -138.166 flat angles C4'-P-C4' energy: -141.168 flat angles P-C4'-P energy: -100.634 tors. eta vs tors. theta energy: -178.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1915.180046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.180046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.180046 (E_RNA) where: Base-Base interactions energy: -1278.096 where: short stacking energy: -572.762 Base-Backbone interact. energy: 3.313 local terms energy: -640.397225 where: bonds (distance) C4'-P energy: -152.719 bonds (distance) P-C4' energy: -129.411 flat angles C4'-P-C4' energy: -147.390 flat angles P-C4'-P energy: -85.755 tors. eta vs tors. theta energy: -125.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1455.635968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.635968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.635968 (E_RNA) where: Base-Base interactions energy: -867.224 where: short stacking energy: -378.736 Base-Backbone interact. energy: 1.241 local terms energy: -589.652208 where: bonds (distance) C4'-P energy: -133.803 bonds (distance) P-C4' energy: -161.650 flat angles C4'-P-C4' energy: -142.077 flat angles P-C4'-P energy: -90.842 tors. eta vs tors. theta energy: -61.280 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: 3 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1009.146111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.146111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.146111 (E_RNA) where: Base-Base interactions energy: -538.376 where: short stacking energy: -299.122 Base-Backbone interact. energy: 0.267 local terms energy: -471.037393 where: bonds (distance) C4'-P energy: -113.040 bonds (distance) P-C4' energy: -137.220 flat angles C4'-P-C4' energy: -119.204 flat angles P-C4'-P energy: -83.939 tors. eta vs tors. theta energy: -17.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -734.544575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.544575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.544575 (E_RNA) where: Base-Base interactions energy: -303.649 where: short stacking energy: -204.778 Base-Backbone interact. energy: -1.427 local terms energy: -429.467989 where: bonds (distance) C4'-P energy: -134.344 bonds (distance) P-C4' energy: -131.273 flat angles C4'-P-C4' energy: -124.951 flat angles P-C4'-P energy: -65.848 tors. eta vs tors. theta energy: 26.948 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: 1, replica: 4 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2930.009546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.009546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.009546 (E_RNA) where: Base-Base interactions energy: -2025.318 where: short stacking energy: -853.017 Base-Backbone interact. energy: -2.707 local terms energy: -901.984011 where: bonds (distance) C4'-P energy: -167.450 bonds (distance) P-C4' energy: -164.517 flat angles C4'-P-C4' energy: -187.862 flat angles P-C4'-P energy: -125.162 tors. eta vs tors. theta energy: -256.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2829.289959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.289959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.289959 (E_RNA) where: Base-Base interactions energy: -1947.612 where: short stacking energy: -798.778 Base-Backbone interact. energy: -0.882 local terms energy: -880.795816 where: bonds (distance) C4'-P energy: -158.713 bonds (distance) P-C4' energy: -160.584 flat angles C4'-P-C4' energy: -199.771 flat angles P-C4'-P energy: -121.929 tors. eta vs tors. theta energy: -239.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2721.082593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.082593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.082593 (E_RNA) where: Base-Base interactions energy: -1881.864 where: short stacking energy: -809.576 Base-Backbone interact. energy: -1.369 local terms energy: -837.849782 where: bonds (distance) C4'-P energy: -144.986 bonds (distance) P-C4' energy: -152.662 flat angles C4'-P-C4' energy: -192.996 flat angles P-C4'-P energy: -112.305 tors. eta vs tors. theta energy: -234.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2520.471499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.471499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.471499 (E_RNA) where: Base-Base interactions energy: -1719.904 where: short stacking energy: -722.678 Base-Backbone interact. energy: -1.658 local terms energy: -798.909537 where: bonds (distance) C4'-P energy: -142.904 bonds (distance) P-C4' energy: -145.055 flat angles C4'-P-C4' energy: -168.237 flat angles P-C4'-P energy: -117.765 tors. eta vs tors. theta energy: -224.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2327.881240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.881240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.881240 (E_RNA) where: Base-Base interactions energy: -1580.520 where: short stacking energy: -683.280 Base-Backbone interact. energy: 0.272 local terms energy: -747.632622 where: bonds (distance) C4'-P energy: -160.149 bonds (distance) P-C4' energy: -130.696 flat angles C4'-P-C4' energy: -165.102 flat angles P-C4'-P energy: -119.001 tors. eta vs tors. theta energy: -172.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2064.681017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.681017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.681017 (E_RNA) where: Base-Base interactions energy: -1387.484 where: short stacking energy: -612.274 Base-Backbone interact. energy: 5.650 local terms energy: -682.847002 where: bonds (distance) C4'-P energy: -132.288 bonds (distance) P-C4' energy: -135.393 flat angles C4'-P-C4' energy: -153.344 flat angles P-C4'-P energy: -104.703 tors. eta vs tors. theta energy: -157.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1864.801506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.801506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.801506 (E_RNA) where: Base-Base interactions energy: -1234.440 where: short stacking energy: -522.973 Base-Backbone interact. energy: -2.884 local terms energy: -627.476966 where: bonds (distance) C4'-P energy: -152.170 bonds (distance) P-C4' energy: -130.193 flat angles C4'-P-C4' energy: -142.351 flat angles P-C4'-P energy: -87.128 tors. eta vs tors. theta energy: -115.635 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: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1497.797483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.797483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.797483 (E_RNA) where: Base-Base interactions energy: -915.477 where: short stacking energy: -419.426 Base-Backbone interact. energy: -2.846 local terms energy: -579.473785 where: bonds (distance) C4'-P energy: -140.928 bonds (distance) P-C4' energy: -139.054 flat angles C4'-P-C4' energy: -140.843 flat angles P-C4'-P energy: -97.400 tors. eta vs tors. theta energy: -61.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1032.389279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.389279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.389279 (E_RNA) where: Base-Base interactions energy: -550.353 where: short stacking energy: -287.893 Base-Backbone interact. energy: 3.778 local terms energy: -485.814071 where: bonds (distance) C4'-P energy: -132.291 bonds (distance) P-C4' energy: -143.819 flat angles C4'-P-C4' energy: -119.644 flat angles P-C4'-P energy: -79.076 tors. eta vs tors. theta energy: -10.983 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: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -763.057814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.057814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.057814 (E_RNA) where: Base-Base interactions energy: -308.608 where: short stacking energy: -209.316 Base-Backbone interact. energy: -0.306 local terms energy: -454.143764 where: bonds (distance) C4'-P energy: -133.550 bonds (distance) P-C4' energy: -138.606 flat angles C4'-P-C4' energy: -122.400 flat angles P-C4'-P energy: -77.050 tors. eta vs tors. theta energy: 17.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2908.960153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.960153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.960153 (E_RNA) where: Base-Base interactions energy: -1998.045 where: short stacking energy: -862.475 Base-Backbone interact. energy: -4.373 local terms energy: -906.541519 where: bonds (distance) C4'-P energy: -167.870 bonds (distance) P-C4' energy: -172.586 flat angles C4'-P-C4' energy: -185.842 flat angles P-C4'-P energy: -132.970 tors. eta vs tors. theta energy: -247.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2822.836783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.836783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.836783 (E_RNA) where: Base-Base interactions energy: -1958.859 where: short stacking energy: -808.197 Base-Backbone interact. energy: 1.018 local terms energy: -864.995922 where: bonds (distance) C4'-P energy: -155.618 bonds (distance) P-C4' energy: -149.202 flat angles C4'-P-C4' energy: -195.291 flat angles P-C4'-P energy: -128.546 tors. eta vs tors. theta energy: -236.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2728.541089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.541089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.541089 (E_RNA) where: Base-Base interactions energy: -1883.639 where: short stacking energy: -773.923 Base-Backbone interact. energy: -2.911 local terms energy: -841.991254 where: bonds (distance) C4'-P energy: -152.599 bonds (distance) P-C4' energy: -153.607 flat angles C4'-P-C4' energy: -172.300 flat angles P-C4'-P energy: -120.009 tors. eta vs tors. theta energy: -243.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2529.698338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.698338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.698338 (E_RNA) where: Base-Base interactions energy: -1696.633 where: short stacking energy: -756.498 Base-Backbone interact. energy: -3.903 local terms energy: -829.162119 where: bonds (distance) C4'-P energy: -157.071 bonds (distance) P-C4' energy: -154.509 flat angles C4'-P-C4' energy: -177.596 flat angles P-C4'-P energy: -111.248 tors. eta vs tors. theta energy: -228.738 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: 5, replica: 6 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2310.710350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.710350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.710350 (E_RNA) where: Base-Base interactions energy: -1575.700 where: short stacking energy: -661.834 Base-Backbone interact. energy: -2.044 local terms energy: -732.966989 where: bonds (distance) C4'-P energy: -139.629 bonds (distance) P-C4' energy: -152.094 flat angles C4'-P-C4' energy: -164.623 flat angles P-C4'-P energy: -110.869 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: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2043.395915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.395915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.395915 (E_RNA) where: Base-Base interactions energy: -1348.841 where: short stacking energy: -583.796 Base-Backbone interact. energy: -2.371 local terms energy: -692.183984 where: bonds (distance) C4'-P energy: -151.880 bonds (distance) P-C4' energy: -132.344 flat angles C4'-P-C4' energy: -169.488 flat angles P-C4'-P energy: -94.541 tors. eta vs tors. theta energy: -143.931 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: 8 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1876.682953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.682953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.682953 (E_RNA) where: Base-Base interactions energy: -1261.224 where: short stacking energy: -541.460 Base-Backbone interact. energy: -2.763 local terms energy: -612.696279 where: bonds (distance) C4'-P energy: -138.134 bonds (distance) P-C4' energy: -127.975 flat angles C4'-P-C4' energy: -154.701 flat angles P-C4'-P energy: -80.675 tors. eta vs tors. theta energy: -111.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1418.606458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.606458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.606458 (E_RNA) where: Base-Base interactions energy: -826.157 where: short stacking energy: -401.558 Base-Backbone interact. energy: -1.668 local terms energy: -590.781181 where: bonds (distance) C4'-P energy: -146.207 bonds (distance) P-C4' energy: -153.751 flat angles C4'-P-C4' energy: -132.835 flat angles P-C4'-P energy: -89.811 tors. eta vs tors. theta energy: -68.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1047.642385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.642385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.642385 (E_RNA) where: Base-Base interactions energy: -541.004 where: short stacking energy: -271.767 Base-Backbone interact. energy: 0.347 local terms energy: -506.985960 where: bonds (distance) C4'-P energy: -121.400 bonds (distance) P-C4' energy: -152.348 flat angles C4'-P-C4' energy: -126.842 flat angles P-C4'-P energy: -74.067 tors. eta vs tors. theta energy: -32.329 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: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -744.115138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.115138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.115138 (E_RNA) where: Base-Base interactions energy: -290.501 where: short stacking energy: -165.893 Base-Backbone interact. energy: -1.994 local terms energy: -451.619969 where: bonds (distance) C4'-P energy: -139.952 bonds (distance) P-C4' energy: -143.075 flat angles C4'-P-C4' energy: -115.989 flat angles P-C4'-P energy: -75.763 tors. eta vs tors. theta energy: 23.160 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: 1, replica: 4 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2953.825852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.825852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.825852 (E_RNA) where: Base-Base interactions energy: -2016.901 where: short stacking energy: -842.113 Base-Backbone interact. energy: -6.657 local terms energy: -930.267756 where: bonds (distance) C4'-P energy: -162.758 bonds (distance) P-C4' energy: -172.952 flat angles C4'-P-C4' energy: -194.769 flat angles P-C4'-P energy: -147.759 tors. eta vs tors. theta energy: -252.031 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: 2, replica: 5 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2843.598928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.598928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.598928 (E_RNA) where: Base-Base interactions energy: -1988.787 where: short stacking energy: -796.076 Base-Backbone interact. energy: -2.121 local terms energy: -852.690804 where: bonds (distance) C4'-P energy: -159.956 bonds (distance) P-C4' energy: -155.232 flat angles C4'-P-C4' energy: -189.515 flat angles P-C4'-P energy: -120.105 tors. eta vs tors. theta energy: -227.883 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: 3, replica: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2702.601537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.601537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.601537 (E_RNA) where: Base-Base interactions energy: -1880.648 where: short stacking energy: -768.429 Base-Backbone interact. energy: -1.928 local terms energy: -820.025597 where: bonds (distance) C4'-P energy: -162.162 bonds (distance) P-C4' energy: -147.600 flat angles C4'-P-C4' energy: -178.896 flat angles P-C4'-P energy: -114.353 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: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2535.572325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.572325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.572325 (E_RNA) where: Base-Base interactions energy: -1733.753 where: short stacking energy: -743.216 Base-Backbone interact. energy: 0.213 local terms energy: -802.031932 where: bonds (distance) C4'-P energy: -139.518 bonds (distance) P-C4' energy: -159.495 flat angles C4'-P-C4' energy: -172.469 flat angles P-C4'-P energy: -106.023 tors. eta vs tors. theta energy: -224.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2320.894191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.894191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.894191 (E_RNA) where: Base-Base interactions energy: -1574.452 where: short stacking energy: -681.991 Base-Backbone interact. energy: 4.354 local terms energy: -750.796256 where: bonds (distance) C4'-P energy: -152.419 bonds (distance) P-C4' energy: -144.443 flat angles C4'-P-C4' energy: -161.816 flat angles P-C4'-P energy: -104.672 tors. eta vs tors. theta energy: -187.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2109.342094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.342094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.342094 (E_RNA) where: Base-Base interactions energy: -1399.677 where: short stacking energy: -592.168 Base-Backbone interact. energy: 1.811 local terms energy: -711.476463 where: bonds (distance) C4'-P energy: -160.231 bonds (distance) P-C4' energy: -148.126 flat angles C4'-P-C4' energy: -142.576 flat angles P-C4'-P energy: -104.167 tors. eta vs tors. theta energy: -156.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1905.860171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.860171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.860171 (E_RNA) where: Base-Base interactions energy: -1285.344 where: short stacking energy: -540.323 Base-Backbone interact. energy: 4.588 local terms energy: -625.104538 where: bonds (distance) C4'-P energy: -134.600 bonds (distance) P-C4' energy: -113.507 flat angles C4'-P-C4' energy: -145.754 flat angles P-C4'-P energy: -105.994 tors. eta vs tors. theta energy: -125.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1383.691558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.691558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.691558 (E_RNA) where: Base-Base interactions energy: -838.252 where: short stacking energy: -367.295 Base-Backbone interact. energy: 1.240 local terms energy: -546.678911 where: bonds (distance) C4'-P energy: -167.610 bonds (distance) P-C4' energy: -130.965 flat angles C4'-P-C4' energy: -122.427 flat angles P-C4'-P energy: -83.799 tors. eta vs tors. theta energy: -41.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1086.317608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.317608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.317608 (E_RNA) where: Base-Base interactions energy: -589.091 where: short stacking energy: -326.102 Base-Backbone interact. energy: 3.468 local terms energy: -500.694265 where: bonds (distance) C4'-P energy: -139.599 bonds (distance) P-C4' energy: -134.498 flat angles C4'-P-C4' energy: -123.521 flat angles P-C4'-P energy: -66.702 tors. eta vs tors. theta energy: -36.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -771.363918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.363918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.363918 (E_RNA) where: Base-Base interactions energy: -372.394 where: short stacking energy: -240.684 Base-Backbone interact. energy: 4.983 local terms energy: -403.952980 where: bonds (distance) C4'-P energy: -144.939 bonds (distance) P-C4' energy: -137.429 flat angles C4'-P-C4' energy: -105.158 flat angles P-C4'-P energy: -40.392 tors. eta vs tors. theta energy: 23.966 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: 1, replica: 4 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2957.350133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.350133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.350133 (E_RNA) where: Base-Base interactions energy: -2083.223 where: short stacking energy: -878.490 Base-Backbone interact. energy: -5.633 local terms energy: -868.493763 where: bonds (distance) C4'-P energy: -135.779 bonds (distance) P-C4' energy: -164.114 flat angles C4'-P-C4' energy: -194.339 flat angles P-C4'-P energy: -115.080 tors. eta vs tors. theta energy: -259.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2852.374811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.374811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.374811 (E_RNA) where: Base-Base interactions energy: -1971.964 where: short stacking energy: -814.991 Base-Backbone interact. energy: -3.912 local terms energy: -876.498513 where: bonds (distance) C4'-P energy: -153.986 bonds (distance) P-C4' energy: -169.958 flat angles C4'-P-C4' energy: -184.950 flat angles P-C4'-P energy: -125.404 tors. eta vs tors. theta energy: -242.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2746.912229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.912229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.912229 (E_RNA) where: Base-Base interactions energy: -1882.798 where: short stacking energy: -801.276 Base-Backbone interact. energy: -2.538 local terms energy: -861.576245 where: bonds (distance) C4'-P energy: -153.984 bonds (distance) P-C4' energy: -154.008 flat angles C4'-P-C4' energy: -188.116 flat angles P-C4'-P energy: -127.230 tors. eta vs tors. theta energy: -238.238 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: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2561.688611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.688611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.688611 (E_RNA) where: Base-Base interactions energy: -1754.964 where: short stacking energy: -792.327 Base-Backbone interact. energy: -3.263 local terms energy: -803.461718 where: bonds (distance) C4'-P energy: -137.755 bonds (distance) P-C4' energy: -147.501 flat angles C4'-P-C4' energy: -176.350 flat angles P-C4'-P energy: -114.619 tors. eta vs tors. theta energy: -227.236 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: 6 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2329.061261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.061261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.061261 (E_RNA) where: Base-Base interactions energy: -1588.527 where: short stacking energy: -676.194 Base-Backbone interact. energy: 2.006 local terms energy: -742.539934 where: bonds (distance) C4'-P energy: -126.465 bonds (distance) P-C4' energy: -151.190 flat angles C4'-P-C4' energy: -167.117 flat angles P-C4'-P energy: -113.046 tors. eta vs tors. theta energy: -184.722 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: 6, replica: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2099.686599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.686599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.686599 (E_RNA) where: Base-Base interactions energy: -1399.073 where: short stacking energy: -592.793 Base-Backbone interact. energy: 2.097 local terms energy: -702.710004 where: bonds (distance) C4'-P energy: -147.849 bonds (distance) P-C4' energy: -150.160 flat angles C4'-P-C4' energy: -142.849 flat angles P-C4'-P energy: -103.110 tors. eta vs tors. theta energy: -158.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1869.705802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.705802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.705802 (E_RNA) where: Base-Base interactions energy: -1222.143 where: short stacking energy: -515.797 Base-Backbone interact. energy: -2.528 local terms energy: -645.034308 where: bonds (distance) C4'-P energy: -144.313 bonds (distance) P-C4' energy: -154.131 flat angles C4'-P-C4' energy: -151.514 flat angles P-C4'-P energy: -64.957 tors. eta vs tors. theta energy: -130.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1449.145644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.145644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.145644 (E_RNA) where: Base-Base interactions energy: -886.134 where: short stacking energy: -403.061 Base-Backbone interact. energy: -2.001 local terms energy: -561.010976 where: bonds (distance) C4'-P energy: -135.647 bonds (distance) P-C4' energy: -136.396 flat angles C4'-P-C4' energy: -116.344 flat angles P-C4'-P energy: -103.657 tors. eta vs tors. theta energy: -68.967 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: 3 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1048.042368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.042368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.042368 (E_RNA) where: Base-Base interactions energy: -564.267 where: short stacking energy: -296.908 Base-Backbone interact. energy: -1.762 local terms energy: -482.013327 where: bonds (distance) C4'-P energy: -124.348 bonds (distance) P-C4' energy: -150.854 flat angles C4'-P-C4' energy: -143.368 flat angles P-C4'-P energy: -64.363 tors. eta vs tors. theta energy: 0.920 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: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -791.211179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.211179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.211179 (E_RNA) where: Base-Base interactions energy: -388.954 where: short stacking energy: -204.354 Base-Backbone interact. energy: 5.262 local terms energy: -407.519428 where: bonds (distance) C4'-P energy: -134.645 bonds (distance) P-C4' energy: -127.852 flat angles C4'-P-C4' energy: -105.391 flat angles P-C4'-P energy: -60.663 tors. eta vs tors. theta energy: 21.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2921.206732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.206732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.206732 (E_RNA) where: Base-Base interactions energy: -2001.547 where: short stacking energy: -819.892 Base-Backbone interact. energy: -2.265 local terms energy: -917.395378 where: bonds (distance) C4'-P energy: -160.614 bonds (distance) P-C4' energy: -165.754 flat angles C4'-P-C4' energy: -200.285 flat angles P-C4'-P energy: -141.728 tors. eta vs tors. theta energy: -249.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2837.667812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.667812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.667812 (E_RNA) where: Base-Base interactions energy: -1949.514 where: short stacking energy: -799.025 Base-Backbone interact. energy: -3.443 local terms energy: -884.710952 where: bonds (distance) C4'-P energy: -163.162 bonds (distance) P-C4' energy: -164.500 flat angles C4'-P-C4' energy: -191.457 flat angles P-C4'-P energy: -118.188 tors. eta vs tors. theta energy: -247.404 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: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2704.071559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.071559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.071559 (E_RNA) where: Base-Base interactions energy: -1849.951 where: short stacking energy: -784.046 Base-Backbone interact. energy: 7.164 local terms energy: -861.284749 where: bonds (distance) C4'-P energy: -161.146 bonds (distance) P-C4' energy: -160.587 flat angles C4'-P-C4' energy: -193.525 flat angles P-C4'-P energy: -121.251 tors. eta vs tors. theta energy: -224.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2546.533228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.533228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.533228 (E_RNA) where: Base-Base interactions energy: -1716.408 where: short stacking energy: -739.636 Base-Backbone interact. energy: -1.599 local terms energy: -828.526739 where: bonds (distance) C4'-P energy: -168.253 bonds (distance) P-C4' energy: -131.020 flat angles C4'-P-C4' energy: -185.740 flat angles P-C4'-P energy: -116.688 tors. eta vs tors. theta energy: -226.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2381.056988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.056988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.056988 (E_RNA) where: Base-Base interactions energy: -1611.200 where: short stacking energy: -706.646 Base-Backbone interact. energy: 2.101 local terms energy: -771.958938 where: bonds (distance) C4'-P energy: -142.283 bonds (distance) P-C4' energy: -155.026 flat angles C4'-P-C4' energy: -163.546 flat angles P-C4'-P energy: -117.150 tors. eta vs tors. theta energy: -193.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2083.536401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.536401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.536401 (E_RNA) where: Base-Base interactions energy: -1386.891 where: short stacking energy: -591.465 Base-Backbone interact. energy: 0.480 local terms energy: -697.125602 where: bonds (distance) C4'-P energy: -146.986 bonds (distance) P-C4' energy: -141.699 flat angles C4'-P-C4' energy: -138.577 flat angles P-C4'-P energy: -110.243 tors. eta vs tors. theta energy: -159.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1823.222488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.222488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.222488 (E_RNA) where: Base-Base interactions energy: -1211.017 where: short stacking energy: -518.926 Base-Backbone interact. energy: -6.210 local terms energy: -605.995199 where: bonds (distance) C4'-P energy: -119.323 bonds (distance) P-C4' energy: -152.976 flat angles C4'-P-C4' energy: -151.592 flat angles P-C4'-P energy: -68.846 tors. eta vs tors. theta energy: -113.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1434.888851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.888851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.888851 (E_RNA) where: Base-Base interactions energy: -875.999 where: short stacking energy: -408.544 Base-Backbone interact. energy: -0.714 local terms energy: -558.175402 where: bonds (distance) C4'-P energy: -115.457 bonds (distance) P-C4' energy: -141.360 flat angles C4'-P-C4' energy: -140.915 flat angles P-C4'-P energy: -90.648 tors. eta vs tors. theta energy: -69.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1033.772517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.772517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.772517 (E_RNA) where: Base-Base interactions energy: -554.196 where: short stacking energy: -326.684 Base-Backbone interact. energy: 6.557 local terms energy: -486.132822 where: bonds (distance) C4'-P energy: -138.716 bonds (distance) P-C4' energy: -125.244 flat angles C4'-P-C4' energy: -115.540 flat angles P-C4'-P energy: -80.906 tors. eta vs tors. theta energy: -25.727 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: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -825.100949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.100949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.100949 (E_RNA) where: Base-Base interactions energy: -425.375 where: short stacking energy: -235.007 Base-Backbone interact. energy: -0.508 local terms energy: -399.218015 where: bonds (distance) C4'-P energy: -114.748 bonds (distance) P-C4' energy: -135.194 flat angles C4'-P-C4' energy: -108.068 flat angles P-C4'-P energy: -50.937 tors. eta vs tors. theta energy: 9.728 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: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2921.819765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.819765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.819765 (E_RNA) where: Base-Base interactions energy: -2016.042 where: short stacking energy: -849.198 Base-Backbone interact. energy: -6.830 local terms energy: -898.947563 where: bonds (distance) C4'-P energy: -170.413 bonds (distance) P-C4' energy: -158.215 flat angles C4'-P-C4' energy: -190.278 flat angles P-C4'-P energy: -130.666 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: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2873.026318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.026318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.026318 (E_RNA) where: Base-Base interactions energy: -1984.188 where: short stacking energy: -829.666 Base-Backbone interact. energy: -5.459 local terms energy: -883.379570 where: bonds (distance) C4'-P energy: -166.804 bonds (distance) P-C4' energy: -164.287 flat angles C4'-P-C4' energy: -179.308 flat angles P-C4'-P energy: -125.752 tors. eta vs tors. theta energy: -247.228 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: 3, replica: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2707.420755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.420755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.420755 (E_RNA) where: Base-Base interactions energy: -1890.734 where: short stacking energy: -772.236 Base-Backbone interact. energy: -2.127 local terms energy: -814.560600 where: bonds (distance) C4'-P energy: -152.794 bonds (distance) P-C4' energy: -137.600 flat angles C4'-P-C4' energy: -185.472 flat angles P-C4'-P energy: -108.340 tors. eta vs tors. theta energy: -230.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2482.575679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.575679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.575679 (E_RNA) where: Base-Base interactions energy: -1696.625 where: short stacking energy: -735.918 Base-Backbone interact. energy: -1.589 local terms energy: -784.362187 where: bonds (distance) C4'-P energy: -142.597 bonds (distance) P-C4' energy: -129.611 flat angles C4'-P-C4' energy: -181.576 flat angles P-C4'-P energy: -113.003 tors. eta vs tors. theta energy: -217.575 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: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2393.256457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.256457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.256457 (E_RNA) where: Base-Base interactions energy: -1648.755 where: short stacking energy: -674.146 Base-Backbone interact. energy: -1.875 local terms energy: -742.626274 where: bonds (distance) C4'-P energy: -140.770 bonds (distance) P-C4' energy: -136.042 flat angles C4'-P-C4' energy: -163.402 flat angles P-C4'-P energy: -109.452 tors. eta vs tors. theta energy: -192.960 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: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2096.809893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.809893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.809893 (E_RNA) where: Base-Base interactions energy: -1391.277 where: short stacking energy: -609.277 Base-Backbone interact. energy: -2.403 local terms energy: -703.129566 where: bonds (distance) C4'-P energy: -152.553 bonds (distance) P-C4' energy: -142.969 flat angles C4'-P-C4' energy: -170.454 flat angles P-C4'-P energy: -82.608 tors. eta vs tors. theta energy: -154.545 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: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1805.513467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.513467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.513467 (E_RNA) where: Base-Base interactions energy: -1184.061 where: short stacking energy: -502.815 Base-Backbone interact. energy: -2.221 local terms energy: -619.231438 where: bonds (distance) C4'-P energy: -140.073 bonds (distance) P-C4' energy: -157.989 flat angles C4'-P-C4' energy: -130.377 flat angles P-C4'-P energy: -79.952 tors. eta vs tors. theta energy: -110.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1466.512845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.512845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.512845 (E_RNA) where: Base-Base interactions energy: -871.184 where: short stacking energy: -400.353 Base-Backbone interact. energy: 1.865 local terms energy: -597.193878 where: bonds (distance) C4'-P energy: -140.385 bonds (distance) P-C4' energy: -139.200 flat angles C4'-P-C4' energy: -147.040 flat angles P-C4'-P energy: -88.320 tors. eta vs tors. theta energy: -82.249 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: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1079.708603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.708603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.708603 (E_RNA) where: Base-Base interactions energy: -577.587 where: short stacking energy: -308.540 Base-Backbone interact. energy: 2.029 local terms energy: -504.151176 where: bonds (distance) C4'-P energy: -135.344 bonds (distance) P-C4' energy: -135.818 flat angles C4'-P-C4' energy: -125.309 flat angles P-C4'-P energy: -85.177 tors. eta vs tors. theta energy: -22.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -878.134328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.134328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.134328 (E_RNA) where: Base-Base interactions energy: -449.355 where: short stacking energy: -211.353 Base-Backbone interact. energy: 0.860 local terms energy: -429.639272 where: bonds (distance) C4'-P energy: -134.378 bonds (distance) P-C4' energy: -146.037 flat angles C4'-P-C4' energy: -105.558 flat angles P-C4'-P energy: -57.213 tors. eta vs tors. theta energy: 13.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2920.356373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.356373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.356373 (E_RNA) where: Base-Base interactions energy: -2037.067 where: short stacking energy: -847.397 Base-Backbone interact. energy: -6.391 local terms energy: -876.898632 where: bonds (distance) C4'-P energy: -149.954 bonds (distance) P-C4' energy: -174.314 flat angles C4'-P-C4' energy: -175.680 flat angles P-C4'-P energy: -130.412 tors. eta vs tors. theta energy: -246.539 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: 369 Temperature: 0.950000 Total energy: -2880.201537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.201537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.201537 (E_RNA) where: Base-Base interactions energy: -1993.330 where: short stacking energy: -843.223 Base-Backbone interact. energy: -2.398 local terms energy: -884.473383 where: bonds (distance) C4'-P energy: -158.396 bonds (distance) P-C4' energy: -172.465 flat angles C4'-P-C4' energy: -193.179 flat angles P-C4'-P energy: -116.999 tors. eta vs tors. theta energy: -243.434 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: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2764.533357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.533357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.533357 (E_RNA) where: Base-Base interactions energy: -1886.726 where: short stacking energy: -790.775 Base-Backbone interact. energy: -4.319 local terms energy: -873.488022 where: bonds (distance) C4'-P energy: -171.138 bonds (distance) P-C4' energy: -153.363 flat angles C4'-P-C4' energy: -179.120 flat angles P-C4'-P energy: -131.197 tors. eta vs tors. theta energy: -238.669 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: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2438.272038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.272038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.272038 (E_RNA) where: Base-Base interactions energy: -1635.318 where: short stacking energy: -684.355 Base-Backbone interact. energy: -2.192 local terms energy: -800.761907 where: bonds (distance) C4'-P energy: -149.117 bonds (distance) P-C4' energy: -163.815 flat angles C4'-P-C4' energy: -175.469 flat angles P-C4'-P energy: -119.141 tors. eta vs tors. theta energy: -193.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2415.944082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.944082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.944082 (E_RNA) where: Base-Base interactions energy: -1645.021 where: short stacking energy: -707.211 Base-Backbone interact. energy: 1.713 local terms energy: -772.636068 where: bonds (distance) C4'-P energy: -156.429 bonds (distance) P-C4' energy: -160.301 flat angles C4'-P-C4' energy: -151.995 flat angles P-C4'-P energy: -98.885 tors. eta vs tors. theta energy: -205.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2084.773073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.773073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.773073 (E_RNA) where: Base-Base interactions energy: -1384.280 where: short stacking energy: -607.050 Base-Backbone interact. energy: -1.104 local terms energy: -699.389208 where: bonds (distance) C4'-P energy: -141.080 bonds (distance) P-C4' energy: -140.227 flat angles C4'-P-C4' energy: -164.308 flat angles P-C4'-P energy: -101.853 tors. eta vs tors. theta energy: -151.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1855.674696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.674696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.674696 (E_RNA) where: Base-Base interactions energy: -1248.297 where: short stacking energy: -540.649 Base-Backbone interact. energy: 4.485 local terms energy: -611.862696 where: bonds (distance) C4'-P energy: -112.339 bonds (distance) P-C4' energy: -134.773 flat angles C4'-P-C4' energy: -138.121 flat angles P-C4'-P energy: -96.638 tors. eta vs tors. theta energy: -129.992 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: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1414.950660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.950660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.950660 (E_RNA) where: Base-Base interactions energy: -855.174 where: short stacking energy: -373.799 Base-Backbone interact. energy: 1.429 local terms energy: -561.205150 where: bonds (distance) C4'-P energy: -144.937 bonds (distance) P-C4' energy: -167.375 flat angles C4'-P-C4' energy: -116.174 flat angles P-C4'-P energy: -84.668 tors. eta vs tors. theta energy: -48.052 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: 3 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1083.041042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.041042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.041042 (E_RNA) where: Base-Base interactions energy: -586.036 where: short stacking energy: -293.985 Base-Backbone interact. energy: 2.245 local terms energy: -499.250029 where: bonds (distance) C4'-P energy: -127.047 bonds (distance) P-C4' energy: -134.093 flat angles C4'-P-C4' energy: -120.538 flat angles P-C4'-P energy: -84.440 tors. eta vs tors. theta energy: -33.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -875.733816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.733816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.733816 (E_RNA) where: Base-Base interactions energy: -433.111 where: short stacking energy: -245.890 Base-Backbone interact. energy: -0.777 local terms energy: -441.846009 where: bonds (distance) C4'-P energy: -121.513 bonds (distance) P-C4' energy: -139.683 flat angles C4'-P-C4' energy: -116.195 flat angles P-C4'-P energy: -74.767 tors. eta vs tors. theta energy: 10.312 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: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2943.124244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.124244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.124244 (E_RNA) where: Base-Base interactions energy: -2053.772 where: short stacking energy: -870.011 Base-Backbone interact. energy: -2.395 local terms energy: -886.956553 where: bonds (distance) C4'-P energy: -144.492 bonds (distance) P-C4' energy: -159.899 flat angles C4'-P-C4' energy: -188.558 flat angles P-C4'-P energy: -136.534 tors. eta vs tors. theta energy: -257.474 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: 2, replica: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2859.636665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.636665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.636665 (E_RNA) where: Base-Base interactions energy: -2017.011 where: short stacking energy: -810.565 Base-Backbone interact. energy: -4.960 local terms energy: -837.665570 where: bonds (distance) C4'-P energy: -147.782 bonds (distance) P-C4' energy: -160.160 flat angles C4'-P-C4' energy: -174.299 flat angles P-C4'-P energy: -114.910 tors. eta vs tors. theta energy: -240.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2757.838971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.838971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.838971 (E_RNA) where: Base-Base interactions energy: -1909.706 where: short stacking energy: -779.908 Base-Backbone interact. energy: -1.827 local terms energy: -846.305982 where: bonds (distance) C4'-P energy: -157.735 bonds (distance) P-C4' energy: -155.097 flat angles C4'-P-C4' energy: -189.949 flat angles P-C4'-P energy: -117.903 tors. eta vs tors. theta energy: -225.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2464.803769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.803769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.803769 (E_RNA) where: Base-Base interactions energy: -1660.436 where: short stacking energy: -716.908 Base-Backbone interact. energy: -0.726 local terms energy: -803.642436 where: bonds (distance) C4'-P energy: -141.330 bonds (distance) P-C4' energy: -156.010 flat angles C4'-P-C4' energy: -188.019 flat angles P-C4'-P energy: -118.241 tors. eta vs tors. theta energy: -200.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2413.862199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.862199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.862199 (E_RNA) where: Base-Base interactions energy: -1635.324 where: short stacking energy: -692.882 Base-Backbone interact. energy: 4.392 local terms energy: -782.929874 where: bonds (distance) C4'-P energy: -133.414 bonds (distance) P-C4' energy: -164.057 flat angles C4'-P-C4' energy: -167.380 flat angles P-C4'-P energy: -103.202 tors. eta vs tors. theta energy: -214.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2138.292258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.292258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.292258 (E_RNA) where: Base-Base interactions energy: -1409.732 where: short stacking energy: -626.122 Base-Backbone interact. energy: -1.729 local terms energy: -726.831685 where: bonds (distance) C4'-P energy: -144.342 bonds (distance) P-C4' energy: -139.166 flat angles C4'-P-C4' energy: -167.234 flat angles P-C4'-P energy: -92.300 tors. eta vs tors. theta energy: -183.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1872.409263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.409263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.409263 (E_RNA) where: Base-Base interactions energy: -1205.476 where: short stacking energy: -556.158 Base-Backbone interact. energy: 0.649 local terms energy: -667.582075 where: bonds (distance) C4'-P energy: -146.612 bonds (distance) P-C4' energy: -141.042 flat angles C4'-P-C4' energy: -152.919 flat angles P-C4'-P energy: -95.294 tors. eta vs tors. theta energy: -131.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1419.546745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.546745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.546745 (E_RNA) where: Base-Base interactions energy: -879.256 where: short stacking energy: -414.195 Base-Backbone interact. energy: 0.541 local terms energy: -540.832505 where: bonds (distance) C4'-P energy: -125.873 bonds (distance) P-C4' energy: -155.656 flat angles C4'-P-C4' energy: -136.482 flat angles P-C4'-P energy: -67.235 tors. eta vs tors. theta energy: -55.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1074.430413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.430413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.430413 (E_RNA) where: Base-Base interactions energy: -613.597 where: short stacking energy: -285.071 Base-Backbone interact. energy: 3.354 local terms energy: -464.187766 where: bonds (distance) C4'-P energy: -117.231 bonds (distance) P-C4' energy: -129.016 flat angles C4'-P-C4' energy: -123.920 flat angles P-C4'-P energy: -74.114 tors. eta vs tors. theta energy: -19.906 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: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -848.026139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.026139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.026139 (E_RNA) where: Base-Base interactions energy: -428.383 where: short stacking energy: -231.598 Base-Backbone interact. energy: 7.089 local terms energy: -426.731921 where: bonds (distance) C4'-P energy: -156.564 bonds (distance) P-C4' energy: -122.129 flat angles C4'-P-C4' energy: -87.527 flat angles P-C4'-P energy: -75.416 tors. eta vs tors. theta energy: 14.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2950.797603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.797603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.797603 (E_RNA) where: Base-Base interactions energy: -2042.978 where: short stacking energy: -853.812 Base-Backbone interact. energy: -0.994 local terms energy: -906.825900 where: bonds (distance) C4'-P energy: -168.326 bonds (distance) P-C4' energy: -173.297 flat angles C4'-P-C4' energy: -180.571 flat angles P-C4'-P energy: -127.386 tors. eta vs tors. theta energy: -257.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2837.578405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.578405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.578405 (E_RNA) where: Base-Base interactions energy: -1976.766 where: short stacking energy: -794.413 Base-Backbone interact. energy: -1.556 local terms energy: -859.256689 where: bonds (distance) C4'-P energy: -161.782 bonds (distance) P-C4' energy: -165.455 flat angles C4'-P-C4' energy: -175.088 flat angles P-C4'-P energy: -129.130 tors. eta vs tors. theta energy: -227.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2749.862096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.862096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.862096 (E_RNA) where: Base-Base interactions energy: -1913.981 where: short stacking energy: -780.133 Base-Backbone interact. energy: -5.132 local terms energy: -830.748805 where: bonds (distance) C4'-P energy: -146.559 bonds (distance) P-C4' energy: -161.338 flat angles C4'-P-C4' energy: -181.022 flat angles P-C4'-P energy: -115.771 tors. eta vs tors. theta energy: -226.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2483.867883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.867883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.867883 (E_RNA) where: Base-Base interactions energy: -1690.637 where: short stacking energy: -730.816 Base-Backbone interact. energy: -6.215 local terms energy: -787.016646 where: bonds (distance) C4'-P energy: -148.812 bonds (distance) P-C4' energy: -156.319 flat angles C4'-P-C4' energy: -173.310 flat angles P-C4'-P energy: -105.530 tors. eta vs tors. theta energy: -203.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2397.559781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.559781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.559781 (E_RNA) where: Base-Base interactions energy: -1599.499 where: short stacking energy: -688.218 Base-Backbone interact. energy: -0.769 local terms energy: -797.291518 where: bonds (distance) C4'-P energy: -162.584 bonds (distance) P-C4' energy: -154.490 flat angles C4'-P-C4' energy: -185.626 flat angles P-C4'-P energy: -102.901 tors. eta vs tors. theta energy: -191.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2224.572953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.572953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.572953 (E_RNA) where: Base-Base interactions energy: -1466.377 where: short stacking energy: -638.716 Base-Backbone interact. energy: -0.157 local terms energy: -758.039055 where: bonds (distance) C4'-P energy: -140.237 bonds (distance) P-C4' energy: -168.298 flat angles C4'-P-C4' energy: -159.590 flat angles P-C4'-P energy: -94.320 tors. eta vs tors. theta energy: -195.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1825.973782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.973782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.973782 (E_RNA) where: Base-Base interactions energy: -1203.891 where: short stacking energy: -523.167 Base-Backbone interact. energy: 4.692 local terms energy: -626.775239 where: bonds (distance) C4'-P energy: -138.092 bonds (distance) P-C4' energy: -143.606 flat angles C4'-P-C4' energy: -142.885 flat angles P-C4'-P energy: -92.542 tors. eta vs tors. theta energy: -109.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1431.209711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.209711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.209711 (E_RNA) where: Base-Base interactions energy: -867.194 where: short stacking energy: -415.186 Base-Backbone interact. energy: -3.573 local terms energy: -560.443250 where: bonds (distance) C4'-P energy: -145.295 bonds (distance) P-C4' energy: -136.842 flat angles C4'-P-C4' energy: -135.754 flat angles P-C4'-P energy: -79.799 tors. eta vs tors. theta energy: -62.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1103.333632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.333632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.333632 (E_RNA) where: Base-Base interactions energy: -615.862 where: short stacking energy: -297.055 Base-Backbone interact. energy: -3.159 local terms energy: -484.312449 where: bonds (distance) C4'-P energy: -133.480 bonds (distance) P-C4' energy: -110.390 flat angles C4'-P-C4' energy: -128.201 flat angles P-C4'-P energy: -86.590 tors. eta vs tors. theta energy: -25.652 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: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -866.381153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.381153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.381153 (E_RNA) where: Base-Base interactions energy: -458.198 where: short stacking energy: -259.119 Base-Backbone interact. energy: -0.787 local terms energy: -407.396494 where: bonds (distance) C4'-P energy: -127.048 bonds (distance) P-C4' energy: -128.880 flat angles C4'-P-C4' energy: -113.878 flat angles P-C4'-P energy: -58.324 tors. eta vs tors. theta energy: 20.733 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: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2962.270374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.270374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.270374 (E_RNA) where: Base-Base interactions energy: -2052.774 where: short stacking energy: -854.964 Base-Backbone interact. energy: -4.152 local terms energy: -905.344104 where: bonds (distance) C4'-P energy: -162.666 bonds (distance) P-C4' energy: -180.118 flat angles C4'-P-C4' energy: -184.959 flat angles P-C4'-P energy: -131.706 tors. eta vs tors. theta energy: -245.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2828.886190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.886190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.886190 (E_RNA) where: Base-Base interactions energy: -1981.461 where: short stacking energy: -819.522 Base-Backbone interact. energy: -2.698 local terms energy: -844.727259 where: bonds (distance) C4'-P energy: -158.273 bonds (distance) P-C4' energy: -155.567 flat angles C4'-P-C4' energy: -180.887 flat angles P-C4'-P energy: -117.823 tors. eta vs tors. theta energy: -232.177 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: 3, replica: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2711.639728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.639728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.639728 (E_RNA) where: Base-Base interactions energy: -1870.029 where: short stacking energy: -773.648 Base-Backbone interact. energy: -6.462 local terms energy: -835.149319 where: bonds (distance) C4'-P energy: -147.476 bonds (distance) P-C4' energy: -160.120 flat angles C4'-P-C4' energy: -171.790 flat angles P-C4'-P energy: -121.930 tors. eta vs tors. theta energy: -233.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2493.166146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.166146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.166146 (E_RNA) where: Base-Base interactions energy: -1677.764 where: short stacking energy: -715.834 Base-Backbone interact. energy: -0.109 local terms energy: -815.293024 where: bonds (distance) C4'-P energy: -152.276 bonds (distance) P-C4' energy: -157.933 flat angles C4'-P-C4' energy: -176.231 flat angles P-C4'-P energy: -116.318 tors. eta vs tors. theta energy: -212.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2322.890495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.890495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.890495 (E_RNA) where: Base-Base interactions energy: -1583.434 where: short stacking energy: -658.570 Base-Backbone interact. energy: -1.336 local terms energy: -738.120864 where: bonds (distance) C4'-P energy: -138.565 bonds (distance) P-C4' energy: -152.416 flat angles C4'-P-C4' energy: -168.197 flat angles P-C4'-P energy: -112.270 tors. eta vs tors. theta energy: -166.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2188.692993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.692993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.692993 (E_RNA) where: Base-Base interactions energy: -1477.267 where: short stacking energy: -644.778 Base-Backbone interact. energy: -1.927 local terms energy: -709.498422 where: bonds (distance) C4'-P energy: -127.489 bonds (distance) P-C4' energy: -151.816 flat angles C4'-P-C4' energy: -155.815 flat angles P-C4'-P energy: -108.909 tors. eta vs tors. theta energy: -165.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1933.732337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.732337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.732337 (E_RNA) where: Base-Base interactions energy: -1296.765 where: short stacking energy: -576.254 Base-Backbone interact. energy: -0.150 local terms energy: -636.817785 where: bonds (distance) C4'-P energy: -139.429 bonds (distance) P-C4' energy: -135.392 flat angles C4'-P-C4' energy: -143.035 flat angles P-C4'-P energy: -71.473 tors. eta vs tors. theta energy: -147.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1452.097427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.097427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.097427 (E_RNA) where: Base-Base interactions energy: -882.758 where: short stacking energy: -397.993 Base-Backbone interact. energy: -8.076 local terms energy: -561.262941 where: bonds (distance) C4'-P energy: -132.019 bonds (distance) P-C4' energy: -140.748 flat angles C4'-P-C4' energy: -131.863 flat angles P-C4'-P energy: -73.982 tors. eta vs tors. theta energy: -82.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1009.849785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.849785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.849785 (E_RNA) where: Base-Base interactions energy: -504.052 where: short stacking energy: -264.954 Base-Backbone interact. energy: -4.155 local terms energy: -501.642961 where: bonds (distance) C4'-P energy: -140.642 bonds (distance) P-C4' energy: -147.500 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -89.718 tors. eta vs tors. theta energy: -10.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -884.550487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.550487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.550487 (E_RNA) where: Base-Base interactions energy: -445.788 where: short stacking energy: -263.155 Base-Backbone interact. energy: 1.585 local terms energy: -440.346941 where: bonds (distance) C4'-P energy: -125.493 bonds (distance) P-C4' energy: -136.898 flat angles C4'-P-C4' energy: -113.606 flat angles P-C4'-P energy: -58.170 tors. eta vs tors. theta energy: -6.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2937.374114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.374114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.374114 (E_RNA) where: Base-Base interactions energy: -2037.476 where: short stacking energy: -855.930 Base-Backbone interact. energy: -0.933 local terms energy: -898.965247 where: bonds (distance) C4'-P energy: -156.486 bonds (distance) P-C4' energy: -177.366 flat angles C4'-P-C4' energy: -184.571 flat angles P-C4'-P energy: -138.540 tors. eta vs tors. theta energy: -242.003 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: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2877.083406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.083406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.083406 (E_RNA) where: Base-Base interactions energy: -1984.986 where: short stacking energy: -808.652 Base-Backbone interact. energy: 0.676 local terms energy: -892.773490 where: bonds (distance) C4'-P energy: -163.045 bonds (distance) P-C4' energy: -159.466 flat angles C4'-P-C4' energy: -193.851 flat angles P-C4'-P energy: -115.076 tors. eta vs tors. theta energy: -261.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2709.493802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.493802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.493802 (E_RNA) where: Base-Base interactions energy: -1876.639 where: short stacking energy: -756.041 Base-Backbone interact. energy: 1.271 local terms energy: -834.126724 where: bonds (distance) C4'-P energy: -168.145 bonds (distance) P-C4' energy: -167.395 flat angles C4'-P-C4' energy: -170.333 flat angles P-C4'-P energy: -119.750 tors. eta vs tors. theta energy: -208.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2500.087899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.087899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.087899 (E_RNA) where: Base-Base interactions energy: -1686.636 where: short stacking energy: -773.538 Base-Backbone interact. energy: -2.542 local terms energy: -810.910225 where: bonds (distance) C4'-P energy: -164.640 bonds (distance) P-C4' energy: -137.417 flat angles C4'-P-C4' energy: -161.928 flat angles P-C4'-P energy: -115.899 tors. eta vs tors. theta energy: -231.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2403.324408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.324408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.324408 (E_RNA) where: Base-Base interactions energy: -1660.148 where: short stacking energy: -674.185 Base-Backbone interact. energy: -0.743 local terms energy: -742.433765 where: bonds (distance) C4'-P energy: -137.912 bonds (distance) P-C4' energy: -144.528 flat angles C4'-P-C4' energy: -167.739 flat angles P-C4'-P energy: -104.596 tors. eta vs tors. theta energy: -187.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2155.360212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.360212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.360212 (E_RNA) where: Base-Base interactions energy: -1440.957 where: short stacking energy: -638.226 Base-Backbone interact. energy: 2.576 local terms energy: -716.979306 where: bonds (distance) C4'-P energy: -135.051 bonds (distance) P-C4' energy: -127.120 flat angles C4'-P-C4' energy: -165.969 flat angles P-C4'-P energy: -102.370 tors. eta vs tors. theta energy: -186.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1932.770574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.770574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.770574 (E_RNA) where: Base-Base interactions energy: -1281.160 where: short stacking energy: -554.637 Base-Backbone interact. energy: -2.747 local terms energy: -648.863545 where: bonds (distance) C4'-P energy: -122.516 bonds (distance) P-C4' energy: -141.766 flat angles C4'-P-C4' energy: -153.066 flat angles P-C4'-P energy: -102.512 tors. eta vs tors. theta energy: -129.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1502.348095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.348095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.348095 (E_RNA) where: Base-Base interactions energy: -965.010 where: short stacking energy: -433.182 Base-Backbone interact. energy: 0.975 local terms energy: -538.312711 where: bonds (distance) C4'-P energy: -109.207 bonds (distance) P-C4' energy: -145.215 flat angles C4'-P-C4' energy: -134.221 flat angles P-C4'-P energy: -77.219 tors. eta vs tors. theta energy: -72.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1007.263880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.263880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.263880 (E_RNA) where: Base-Base interactions energy: -563.963 where: short stacking energy: -281.068 Base-Backbone interact. energy: -2.163 local terms energy: -441.138286 where: bonds (distance) C4'-P energy: -147.627 bonds (distance) P-C4' energy: -119.141 flat angles C4'-P-C4' energy: -110.271 flat angles P-C4'-P energy: -63.507 tors. eta vs tors. theta energy: -0.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -873.985959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.985959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.985959 (E_RNA) where: Base-Base interactions energy: -402.561 where: short stacking energy: -235.503 Base-Backbone interact. energy: -0.823 local terms energy: -470.601932 where: bonds (distance) C4'-P energy: -127.368 bonds (distance) P-C4' energy: -132.142 flat angles C4'-P-C4' energy: -133.669 flat angles P-C4'-P energy: -73.498 tors. eta vs tors. theta energy: -3.925 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: 4 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2965.413128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.413128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.413128 (E_RNA) where: Base-Base interactions energy: -2075.751 where: short stacking energy: -878.906 Base-Backbone interact. energy: -8.000 local terms energy: -881.662179 where: bonds (distance) C4'-P energy: -136.598 bonds (distance) P-C4' energy: -168.566 flat angles C4'-P-C4' energy: -191.242 flat angles P-C4'-P energy: -126.358 tors. eta vs tors. theta energy: -258.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2856.521923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.521923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.521923 (E_RNA) where: Base-Base interactions energy: -1976.043 where: short stacking energy: -810.158 Base-Backbone interact. energy: -0.187 local terms energy: -880.292038 where: bonds (distance) C4'-P energy: -148.852 bonds (distance) P-C4' energy: -173.097 flat angles C4'-P-C4' energy: -181.614 flat angles P-C4'-P energy: -134.155 tors. eta vs tors. theta energy: -242.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2721.148111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.148111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.148111 (E_RNA) where: Base-Base interactions energy: -1896.627 where: short stacking energy: -778.569 Base-Backbone interact. energy: -2.133 local terms energy: -822.387856 where: bonds (distance) C4'-P energy: -156.730 bonds (distance) P-C4' energy: -161.892 flat angles C4'-P-C4' energy: -184.117 flat angles P-C4'-P energy: -105.862 tors. eta vs tors. theta energy: -213.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2485.336403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.336403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.336403 (E_RNA) where: Base-Base interactions energy: -1671.763 where: short stacking energy: -728.579 Base-Backbone interact. energy: -0.772 local terms energy: -812.801859 where: bonds (distance) C4'-P energy: -154.861 bonds (distance) P-C4' energy: -157.948 flat angles C4'-P-C4' energy: -171.395 flat angles P-C4'-P energy: -119.674 tors. eta vs tors. theta energy: -208.923 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: 5, replica: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2398.635688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.635688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.635688 (E_RNA) where: Base-Base interactions energy: -1642.083 where: short stacking energy: -692.196 Base-Backbone interact. energy: -2.038 local terms energy: -754.514527 where: bonds (distance) C4'-P energy: -126.358 bonds (distance) P-C4' energy: -137.522 flat angles C4'-P-C4' energy: -177.171 flat angles P-C4'-P energy: -116.351 tors. eta vs tors. theta energy: -197.113 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: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2129.411690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.411690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.411690 (E_RNA) where: Base-Base interactions energy: -1416.680 where: short stacking energy: -628.630 Base-Backbone interact. energy: -0.145 local terms energy: -712.587383 where: bonds (distance) C4'-P energy: -155.804 bonds (distance) P-C4' energy: -123.562 flat angles C4'-P-C4' energy: -161.257 flat angles P-C4'-P energy: -106.796 tors. eta vs tors. theta energy: -165.168 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: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1883.437726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.437726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.437726 (E_RNA) where: Base-Base interactions energy: -1267.184 where: short stacking energy: -550.001 Base-Backbone interact. energy: -3.297 local terms energy: -612.956532 where: bonds (distance) C4'-P energy: -112.308 bonds (distance) P-C4' energy: -127.284 flat angles C4'-P-C4' energy: -155.883 flat angles P-C4'-P energy: -88.415 tors. eta vs tors. theta energy: -129.067 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: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1410.328079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.328079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.328079 (E_RNA) where: Base-Base interactions energy: -877.678 where: short stacking energy: -363.875 Base-Backbone interact. energy: -0.757 local terms energy: -531.892959 where: bonds (distance) C4'-P energy: -105.405 bonds (distance) P-C4' energy: -138.150 flat angles C4'-P-C4' energy: -149.595 flat angles P-C4'-P energy: -84.183 tors. eta vs tors. theta energy: -54.559 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: 9, replica: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -944.282758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.282758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.282758 (E_RNA) where: Base-Base interactions energy: -460.351 where: short stacking energy: -255.646 Base-Backbone interact. energy: 3.622 local terms energy: -487.553341 where: bonds (distance) C4'-P energy: -125.818 bonds (distance) P-C4' energy: -131.399 flat angles C4'-P-C4' energy: -127.832 flat angles P-C4'-P energy: -89.755 tors. eta vs tors. theta energy: -12.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -874.675021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.675021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.675021 (E_RNA) where: Base-Base interactions energy: -445.784 where: short stacking energy: -214.294 Base-Backbone interact. energy: 3.196 local terms energy: -432.086813 where: bonds (distance) C4'-P energy: -129.954 bonds (distance) P-C4' energy: -133.101 flat angles C4'-P-C4' energy: -116.116 flat angles P-C4'-P energy: -60.524 tors. eta vs tors. theta energy: 7.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2964.648010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.648010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.648010 (E_RNA) where: Base-Base interactions energy: -2069.983 where: short stacking energy: -871.269 Base-Backbone interact. energy: -3.446 local terms energy: -891.219325 where: bonds (distance) C4'-P energy: -155.161 bonds (distance) P-C4' energy: -165.582 flat angles C4'-P-C4' energy: -187.984 flat angles P-C4'-P energy: -126.127 tors. eta vs tors. theta energy: -256.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2874.039939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.039939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.039939 (E_RNA) where: Base-Base interactions energy: -1992.377 where: short stacking energy: -808.068 Base-Backbone interact. energy: -6.213 local terms energy: -875.450199 where: bonds (distance) C4'-P energy: -158.989 bonds (distance) P-C4' energy: -171.745 flat angles C4'-P-C4' energy: -189.620 flat angles P-C4'-P energy: -116.244 tors. eta vs tors. theta energy: -238.853 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: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2748.803008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.803008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.803008 (E_RNA) where: Base-Base interactions energy: -1910.121 where: short stacking energy: -797.498 Base-Backbone interact. energy: -6.044 local terms energy: -832.637962 where: bonds (distance) C4'-P energy: -144.865 bonds (distance) P-C4' energy: -143.514 flat angles C4'-P-C4' energy: -192.973 flat angles P-C4'-P energy: -121.555 tors. eta vs tors. theta energy: -229.731 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: 4, replica: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2489.917574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.917574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.917574 (E_RNA) where: Base-Base interactions energy: -1667.516 where: short stacking energy: -739.605 Base-Backbone interact. energy: -4.382 local terms energy: -818.019404 where: bonds (distance) C4'-P energy: -164.550 bonds (distance) P-C4' energy: -144.733 flat angles C4'-P-C4' energy: -174.111 flat angles P-C4'-P energy: -108.538 tors. eta vs tors. theta energy: -226.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2355.486370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.486370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.486370 (E_RNA) where: Base-Base interactions energy: -1611.023 where: short stacking energy: -676.054 Base-Backbone interact. energy: -2.843 local terms energy: -741.620978 where: bonds (distance) C4'-P energy: -143.469 bonds (distance) P-C4' energy: -138.464 flat angles C4'-P-C4' energy: -170.993 flat angles P-C4'-P energy: -116.908 tors. eta vs tors. theta energy: -171.786 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: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2118.054357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.054357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.054357 (E_RNA) where: Base-Base interactions energy: -1411.383 where: short stacking energy: -594.513 Base-Backbone interact. energy: -0.633 local terms energy: -706.038281 where: bonds (distance) C4'-P energy: -129.484 bonds (distance) P-C4' energy: -141.729 flat angles C4'-P-C4' energy: -154.415 flat angles P-C4'-P energy: -109.799 tors. eta vs tors. theta energy: -170.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1919.948039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.948039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.948039 (E_RNA) where: Base-Base interactions energy: -1259.571 where: short stacking energy: -568.727 Base-Backbone interact. energy: -3.864 local terms energy: -656.513388 where: bonds (distance) C4'-P energy: -135.371 bonds (distance) P-C4' energy: -141.610 flat angles C4'-P-C4' energy: -154.107 flat angles P-C4'-P energy: -90.566 tors. eta vs tors. theta energy: -134.858 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: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1410.382967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.382967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.382967 (E_RNA) where: Base-Base interactions energy: -861.295 where: short stacking energy: -394.985 Base-Backbone interact. energy: 1.243 local terms energy: -550.331055 where: bonds (distance) C4'-P energy: -129.139 bonds (distance) P-C4' energy: -126.964 flat angles C4'-P-C4' energy: -137.814 flat angles P-C4'-P energy: -82.487 tors. eta vs tors. theta energy: -73.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -947.767005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.767005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.767005 (E_RNA) where: Base-Base interactions energy: -485.429 where: short stacking energy: -238.517 Base-Backbone interact. energy: -4.264 local terms energy: -458.073759 where: bonds (distance) C4'-P energy: -129.368 bonds (distance) P-C4' energy: -142.218 flat angles C4'-P-C4' energy: -124.536 flat angles P-C4'-P energy: -78.641 tors. eta vs tors. theta energy: 16.689 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: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -849.991222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.991222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.991222 (E_RNA) where: Base-Base interactions energy: -387.990 where: short stacking energy: -235.386 Base-Backbone interact. energy: -0.044 local terms energy: -461.958093 where: bonds (distance) C4'-P energy: -125.824 bonds (distance) P-C4' energy: -150.734 flat angles C4'-P-C4' energy: -132.479 flat angles P-C4'-P energy: -65.069 tors. eta vs tors. theta energy: 12.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2970.088256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.088256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.088256 (E_RNA) where: Base-Base interactions energy: -2076.751 where: short stacking energy: -847.736 Base-Backbone interact. energy: -6.237 local terms energy: -887.100275 where: bonds (distance) C4'-P energy: -158.155 bonds (distance) P-C4' energy: -159.043 flat angles C4'-P-C4' energy: -192.074 flat angles P-C4'-P energy: -126.217 tors. eta vs tors. theta energy: -251.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2867.560637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.560637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.560637 (E_RNA) where: Base-Base interactions energy: -1971.704 where: short stacking energy: -811.198 Base-Backbone interact. energy: -1.027 local terms energy: -894.829973 where: bonds (distance) C4'-P energy: -147.511 bonds (distance) P-C4' energy: -172.284 flat angles C4'-P-C4' energy: -196.214 flat angles P-C4'-P energy: -130.204 tors. eta vs tors. theta energy: -248.618 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: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2742.850014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.850014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.850014 (E_RNA) where: Base-Base interactions energy: -1910.653 where: short stacking energy: -785.225 Base-Backbone interact. energy: -3.164 local terms energy: -829.033345 where: bonds (distance) C4'-P energy: -165.310 bonds (distance) P-C4' energy: -142.311 flat angles C4'-P-C4' energy: -176.696 flat angles P-C4'-P energy: -121.820 tors. eta vs tors. theta energy: -222.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2485.012816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.012816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.012816 (E_RNA) where: Base-Base interactions energy: -1661.978 where: short stacking energy: -739.789 Base-Backbone interact. energy: -1.861 local terms energy: -821.174256 where: bonds (distance) C4'-P energy: -152.726 bonds (distance) P-C4' energy: -169.795 flat angles C4'-P-C4' energy: -162.684 flat angles P-C4'-P energy: -113.827 tors. eta vs tors. theta energy: -222.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2335.084766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.084766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.084766 (E_RNA) where: Base-Base interactions energy: -1616.958 where: short stacking energy: -656.136 Base-Backbone interact. energy: 0.771 local terms energy: -718.897536 where: bonds (distance) C4'-P energy: -151.426 bonds (distance) P-C4' energy: -139.337 flat angles C4'-P-C4' energy: -161.048 flat angles P-C4'-P energy: -86.592 tors. eta vs tors. theta energy: -180.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2107.710363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.710363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.710363 (E_RNA) where: Base-Base interactions energy: -1425.750 where: short stacking energy: -598.695 Base-Backbone interact. energy: 1.175 local terms energy: -683.135399 where: bonds (distance) C4'-P energy: -144.516 bonds (distance) P-C4' energy: -128.519 flat angles C4'-P-C4' energy: -161.788 flat angles P-C4'-P energy: -91.245 tors. eta vs tors. theta energy: -157.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1861.828946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.828946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.828946 (E_RNA) where: Base-Base interactions energy: -1202.694 where: short stacking energy: -497.296 Base-Backbone interact. energy: 1.105 local terms energy: -660.240357 where: bonds (distance) C4'-P energy: -144.593 bonds (distance) P-C4' energy: -147.444 flat angles C4'-P-C4' energy: -146.346 flat angles P-C4'-P energy: -99.979 tors. eta vs tors. theta energy: -121.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1397.759309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.759309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.759309 (E_RNA) where: Base-Base interactions energy: -872.800 where: short stacking energy: -392.814 Base-Backbone interact. energy: -5.770 local terms energy: -519.189009 where: bonds (distance) C4'-P energy: -123.041 bonds (distance) P-C4' energy: -142.047 flat angles C4'-P-C4' energy: -132.486 flat angles P-C4'-P energy: -75.773 tors. eta vs tors. theta energy: -45.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -951.048625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.048625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.048625 (E_RNA) where: Base-Base interactions energy: -508.468 where: short stacking energy: -260.940 Base-Backbone interact. energy: 6.140 local terms energy: -448.721386 where: bonds (distance) C4'-P energy: -145.548 bonds (distance) P-C4' energy: -150.027 flat angles C4'-P-C4' energy: -101.100 flat angles P-C4'-P energy: -68.284 tors. eta vs tors. theta energy: 16.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -922.119249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.119249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.119249 (E_RNA) where: Base-Base interactions energy: -500.792 where: short stacking energy: -280.368 Base-Backbone interact. energy: 1.713 local terms energy: -423.040099 where: bonds (distance) C4'-P energy: -108.073 bonds (distance) P-C4' energy: -136.158 flat angles C4'-P-C4' energy: -99.535 flat angles P-C4'-P energy: -60.924 tors. eta vs tors. theta energy: -18.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2995.824485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.824485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.824485 (E_RNA) where: Base-Base interactions energy: -2094.290 where: short stacking energy: -867.169 Base-Backbone interact. energy: -5.706 local terms energy: -895.828383 where: bonds (distance) C4'-P energy: -173.801 bonds (distance) P-C4' energy: -154.792 flat angles C4'-P-C4' energy: -192.509 flat angles P-C4'-P energy: -120.002 tors. eta vs tors. theta energy: -254.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2868.540486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.540486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.540486 (E_RNA) where: Base-Base interactions energy: -2014.192 where: short stacking energy: -801.984 Base-Backbone interact. energy: -1.352 local terms energy: -852.996085 where: bonds (distance) C4'-P energy: -153.219 bonds (distance) P-C4' energy: -150.287 flat angles C4'-P-C4' energy: -188.475 flat angles P-C4'-P energy: -117.750 tors. eta vs tors. theta energy: -243.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2756.297637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.297637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.297637 (E_RNA) where: Base-Base interactions energy: -1943.808 where: short stacking energy: -790.366 Base-Backbone interact. energy: 3.381 local terms energy: -815.870511 where: bonds (distance) C4'-P energy: -135.430 bonds (distance) P-C4' energy: -144.058 flat angles C4'-P-C4' energy: -181.405 flat angles P-C4'-P energy: -116.437 tors. eta vs tors. theta energy: -238.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2458.457764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.457764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.457764 (E_RNA) where: Base-Base interactions energy: -1671.385 where: short stacking energy: -706.879 Base-Backbone interact. energy: 3.949 local terms energy: -791.021116 where: bonds (distance) C4'-P energy: -150.941 bonds (distance) P-C4' energy: -140.209 flat angles C4'-P-C4' energy: -171.985 flat angles P-C4'-P energy: -120.020 tors. eta vs tors. theta energy: -207.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2348.848527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.848527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.848527 (E_RNA) where: Base-Base interactions energy: -1616.751 where: short stacking energy: -675.179 Base-Backbone interact. energy: 2.566 local terms energy: -734.663621 where: bonds (distance) C4'-P energy: -147.819 bonds (distance) P-C4' energy: -150.689 flat angles C4'-P-C4' energy: -163.463 flat angles P-C4'-P energy: -88.711 tors. eta vs tors. theta energy: -183.982 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: 6, replica: 7 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2149.839347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.839347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.839347 (E_RNA) where: Base-Base interactions energy: -1450.894 where: short stacking energy: -610.650 Base-Backbone interact. energy: -1.200 local terms energy: -697.745524 where: bonds (distance) C4'-P energy: -121.818 bonds (distance) P-C4' energy: -145.775 flat angles C4'-P-C4' energy: -170.208 flat angles P-C4'-P energy: -90.046 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: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1955.441929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.441929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.441929 (E_RNA) where: Base-Base interactions energy: -1299.721 where: short stacking energy: -533.005 Base-Backbone interact. energy: 2.457 local terms energy: -658.178188 where: bonds (distance) C4'-P energy: -137.963 bonds (distance) P-C4' energy: -142.383 flat angles C4'-P-C4' energy: -136.571 flat angles P-C4'-P energy: -89.466 tors. eta vs tors. theta energy: -151.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1422.219460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.219460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.219460 (E_RNA) where: Base-Base interactions energy: -840.934 where: short stacking energy: -386.171 Base-Backbone interact. energy: -3.361 local terms energy: -577.925132 where: bonds (distance) C4'-P energy: -140.573 bonds (distance) P-C4' energy: -144.189 flat angles C4'-P-C4' energy: -145.120 flat angles P-C4'-P energy: -89.095 tors. eta vs tors. theta energy: -58.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -948.318280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.318280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.318280 (E_RNA) where: Base-Base interactions energy: -484.369 where: short stacking energy: -278.925 Base-Backbone interact. energy: -2.558 local terms energy: -461.391676 where: bonds (distance) C4'-P energy: -130.658 bonds (distance) P-C4' energy: -140.920 flat angles C4'-P-C4' energy: -115.887 flat angles P-C4'-P energy: -60.057 tors. eta vs tors. theta energy: -13.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -882.788792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.788792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.788792 (E_RNA) where: Base-Base interactions energy: -427.625 where: short stacking energy: -204.440 Base-Backbone interact. energy: -4.689 local terms energy: -450.475315 where: bonds (distance) C4'-P energy: -121.914 bonds (distance) P-C4' energy: -141.596 flat angles C4'-P-C4' energy: -126.808 flat angles P-C4'-P energy: -68.911 tors. eta vs tors. theta energy: 8.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2941.586108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.586108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.586108 (E_RNA) where: Base-Base interactions energy: -2046.074 where: short stacking energy: -846.708 Base-Backbone interact. energy: -7.059 local terms energy: -888.453272 where: bonds (distance) C4'-P energy: -150.815 bonds (distance) P-C4' energy: -161.477 flat angles C4'-P-C4' energy: -194.244 flat angles P-C4'-P energy: -125.422 tors. eta vs tors. theta energy: -256.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2874.776440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.776440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.776440 (E_RNA) where: Base-Base interactions energy: -2008.219 where: short stacking energy: -830.775 Base-Backbone interact. energy: -5.327 local terms energy: -861.230139 where: bonds (distance) C4'-P energy: -163.263 bonds (distance) P-C4' energy: -154.288 flat angles C4'-P-C4' energy: -175.049 flat angles P-C4'-P energy: -126.170 tors. eta vs tors. theta energy: -242.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2757.040516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.040516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.040516 (E_RNA) where: Base-Base interactions energy: -1873.404 where: short stacking energy: -767.535 Base-Backbone interact. energy: -5.470 local terms energy: -878.167182 where: bonds (distance) C4'-P energy: -172.070 bonds (distance) P-C4' energy: -163.214 flat angles C4'-P-C4' energy: -184.697 flat angles P-C4'-P energy: -121.630 tors. eta vs tors. theta energy: -236.557 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: 9 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2488.391666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.391666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.391666 (E_RNA) where: Base-Base interactions energy: -1700.399 where: short stacking energy: -739.810 Base-Backbone interact. energy: -2.390 local terms energy: -785.602329 where: bonds (distance) C4'-P energy: -145.666 bonds (distance) P-C4' energy: -150.759 flat angles C4'-P-C4' energy: -171.595 flat angles P-C4'-P energy: -104.992 tors. eta vs tors. theta energy: -212.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2383.654149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.654149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.654149 (E_RNA) where: Base-Base interactions energy: -1600.120 where: short stacking energy: -675.555 Base-Backbone interact. energy: -5.774 local terms energy: -777.760480 where: bonds (distance) C4'-P energy: -152.774 bonds (distance) P-C4' energy: -168.149 flat angles C4'-P-C4' energy: -180.921 flat angles P-C4'-P energy: -104.126 tors. eta vs tors. theta energy: -171.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2194.421112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.421112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.421112 (E_RNA) where: Base-Base interactions energy: -1488.670 where: short stacking energy: -644.469 Base-Backbone interact. energy: -2.369 local terms energy: -703.382569 where: bonds (distance) C4'-P energy: -142.341 bonds (distance) P-C4' energy: -125.837 flat angles C4'-P-C4' energy: -156.152 flat angles P-C4'-P energy: -105.244 tors. eta vs tors. theta energy: -173.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1911.131566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.131566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.131566 (E_RNA) where: Base-Base interactions energy: -1299.901 where: short stacking energy: -533.008 Base-Backbone interact. energy: -2.531 local terms energy: -608.699916 where: bonds (distance) C4'-P energy: -144.246 bonds (distance) P-C4' energy: -130.055 flat angles C4'-P-C4' energy: -127.714 flat angles P-C4'-P energy: -76.861 tors. eta vs tors. theta energy: -129.824 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: 8, replica: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1431.660376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.660376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.660376 (E_RNA) where: Base-Base interactions energy: -863.049 where: short stacking energy: -404.314 Base-Backbone interact. energy: 0.056 local terms energy: -568.667399 where: bonds (distance) C4'-P energy: -129.631 bonds (distance) P-C4' energy: -162.568 flat angles C4'-P-C4' energy: -147.383 flat angles P-C4'-P energy: -75.254 tors. eta vs tors. theta energy: -53.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -957.889449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.889449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.889449 (E_RNA) where: Base-Base interactions energy: -498.671 where: short stacking energy: -286.602 Base-Backbone interact. energy: -4.324 local terms energy: -454.894152 where: bonds (distance) C4'-P energy: -122.907 bonds (distance) P-C4' energy: -149.087 flat angles C4'-P-C4' energy: -110.782 flat angles P-C4'-P energy: -64.184 tors. eta vs tors. theta energy: -7.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -860.243124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.243124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.243124 (E_RNA) where: Base-Base interactions energy: -464.397 where: short stacking energy: -235.693 Base-Backbone interact. energy: 4.581 local terms energy: -400.427176 where: bonds (distance) C4'-P energy: -138.536 bonds (distance) P-C4' energy: -134.121 flat angles C4'-P-C4' energy: -96.302 flat angles P-C4'-P energy: -52.844 tors. eta vs tors. theta energy: 21.376 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: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2943.783934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.783934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.783934 (E_RNA) where: Base-Base interactions energy: -2026.565 where: short stacking energy: -851.417 Base-Backbone interact. energy: -6.193 local terms energy: -911.026483 where: bonds (distance) C4'-P energy: -165.640 bonds (distance) P-C4' energy: -163.405 flat angles C4'-P-C4' energy: -196.532 flat angles P-C4'-P energy: -130.682 tors. eta vs tors. theta energy: -254.768 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: 2, replica: 5 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2850.712115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.712115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.712115 (E_RNA) where: Base-Base interactions energy: -1985.849 where: short stacking energy: -809.722 Base-Backbone interact. energy: -3.220 local terms energy: -861.643127 where: bonds (distance) C4'-P energy: -165.228 bonds (distance) P-C4' energy: -168.352 flat angles C4'-P-C4' energy: -180.840 flat angles P-C4'-P energy: -115.225 tors. eta vs tors. theta energy: -231.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2778.701480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.701480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.701480 (E_RNA) where: Base-Base interactions energy: -1972.534 where: short stacking energy: -806.059 Base-Backbone interact. energy: -5.234 local terms energy: -800.933834 where: bonds (distance) C4'-P energy: -150.554 bonds (distance) P-C4' energy: -138.236 flat angles C4'-P-C4' energy: -168.470 flat angles P-C4'-P energy: -115.956 tors. eta vs tors. theta energy: -227.718 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: 4, replica: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2509.568460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.568460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.568460 (E_RNA) where: Base-Base interactions energy: -1725.591 where: short stacking energy: -740.112 Base-Backbone interact. energy: -1.599 local terms energy: -782.378413 where: bonds (distance) C4'-P energy: -149.471 bonds (distance) P-C4' energy: -137.173 flat angles C4'-P-C4' energy: -177.895 flat angles P-C4'-P energy: -108.520 tors. eta vs tors. theta energy: -209.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2420.863876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.863876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.863876 (E_RNA) where: Base-Base interactions energy: -1659.190 where: short stacking energy: -689.271 Base-Backbone interact. energy: -4.764 local terms energy: -756.909758 where: bonds (distance) C4'-P energy: -153.717 bonds (distance) P-C4' energy: -138.509 flat angles C4'-P-C4' energy: -169.796 flat angles P-C4'-P energy: -105.982 tors. eta vs tors. theta energy: -188.905 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: 6, replica: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2146.644202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.644202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.644202 (E_RNA) where: Base-Base interactions energy: -1424.055 where: short stacking energy: -614.052 Base-Backbone interact. energy: 3.631 local terms energy: -726.219758 where: bonds (distance) C4'-P energy: -138.652 bonds (distance) P-C4' energy: -154.523 flat angles C4'-P-C4' energy: -158.070 flat angles P-C4'-P energy: -112.206 tors. eta vs tors. theta energy: -162.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1938.884503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.884503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.884503 (E_RNA) where: Base-Base interactions energy: -1288.280 where: short stacking energy: -551.678 Base-Backbone interact. energy: 0.129 local terms energy: -650.733500 where: bonds (distance) C4'-P energy: -140.403 bonds (distance) P-C4' energy: -140.426 flat angles C4'-P-C4' energy: -144.064 flat angles P-C4'-P energy: -77.417 tors. eta vs tors. theta energy: -148.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1454.805801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.805801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.805801 (E_RNA) where: Base-Base interactions energy: -884.340 where: short stacking energy: -402.053 Base-Backbone interact. energy: 2.768 local terms energy: -573.233441 where: bonds (distance) C4'-P energy: -115.150 bonds (distance) P-C4' energy: -161.450 flat angles C4'-P-C4' energy: -142.327 flat angles P-C4'-P energy: -77.996 tors. eta vs tors. theta energy: -76.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -943.385317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.385317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.385317 (E_RNA) where: Base-Base interactions energy: -465.924 where: short stacking energy: -293.916 Base-Backbone interact. energy: -1.559 local terms energy: -475.902331 where: bonds (distance) C4'-P energy: -129.548 bonds (distance) P-C4' energy: -146.773 flat angles C4'-P-C4' energy: -102.467 flat angles P-C4'-P energy: -77.344 tors. eta vs tors. theta energy: -19.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -846.505012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.505012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.505012 (E_RNA) where: Base-Base interactions energy: -434.297 where: short stacking energy: -218.743 Base-Backbone interact. energy: -3.228 local terms energy: -408.979725 where: bonds (distance) C4'-P energy: -103.205 bonds (distance) P-C4' energy: -141.809 flat angles C4'-P-C4' energy: -114.487 flat angles P-C4'-P energy: -79.078 tors. eta vs tors. theta energy: 29.600 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: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2959.306494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.306494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.306494 (E_RNA) where: Base-Base interactions energy: -2042.141 where: short stacking energy: -833.970 Base-Backbone interact. energy: -6.565 local terms energy: -910.599919 where: bonds (distance) C4'-P energy: -155.902 bonds (distance) P-C4' energy: -176.947 flat angles C4'-P-C4' energy: -179.289 flat angles P-C4'-P energy: -143.879 tors. eta vs tors. theta energy: -254.584 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: 380 Temperature: 0.950000 Total energy: -2862.890679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.890679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.890679 (E_RNA) where: Base-Base interactions energy: -2005.943 where: short stacking energy: -805.712 Base-Backbone interact. energy: -2.337 local terms energy: -854.610727 where: bonds (distance) C4'-P energy: -152.344 bonds (distance) P-C4' energy: -160.933 flat angles C4'-P-C4' energy: -180.937 flat angles P-C4'-P energy: -119.804 tors. eta vs tors. theta energy: -240.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2767.959979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.959979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.959979 (E_RNA) where: Base-Base interactions energy: -1950.358 where: short stacking energy: -801.022 Base-Backbone interact. energy: -1.339 local terms energy: -816.263056 where: bonds (distance) C4'-P energy: -139.531 bonds (distance) P-C4' energy: -150.649 flat angles C4'-P-C4' energy: -170.092 flat angles P-C4'-P energy: -121.159 tors. eta vs tors. theta energy: -234.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2516.926243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.926243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.926243 (E_RNA) where: Base-Base interactions energy: -1690.827 where: short stacking energy: -735.345 Base-Backbone interact. energy: 0.443 local terms energy: -826.542030 where: bonds (distance) C4'-P energy: -150.581 bonds (distance) P-C4' energy: -152.880 flat angles C4'-P-C4' energy: -178.576 flat angles P-C4'-P energy: -126.204 tors. eta vs tors. theta energy: -218.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2386.752487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.752487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.752487 (E_RNA) where: Base-Base interactions energy: -1651.914 where: short stacking energy: -683.813 Base-Backbone interact. energy: -2.135 local terms energy: -732.703691 where: bonds (distance) C4'-P energy: -120.155 bonds (distance) P-C4' energy: -149.265 flat angles C4'-P-C4' energy: -167.009 flat angles P-C4'-P energy: -95.975 tors. eta vs tors. theta energy: -200.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2081.837379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.837379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.837379 (E_RNA) where: Base-Base interactions energy: -1405.667 where: short stacking energy: -615.846 Base-Backbone interact. energy: -0.286 local terms energy: -675.885047 where: bonds (distance) C4'-P energy: -138.000 bonds (distance) P-C4' energy: -138.447 flat angles C4'-P-C4' energy: -134.522 flat angles P-C4'-P energy: -89.090 tors. eta vs tors. theta energy: -175.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1913.057893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.057893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.057893 (E_RNA) where: Base-Base interactions energy: -1253.761 where: short stacking energy: -535.116 Base-Backbone interact. energy: -4.222 local terms energy: -655.074246 where: bonds (distance) C4'-P energy: -138.081 bonds (distance) P-C4' energy: -145.977 flat angles C4'-P-C4' energy: -154.755 flat angles P-C4'-P energy: -89.551 tors. eta vs tors. theta energy: -126.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1440.552478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.552478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.552478 (E_RNA) where: Base-Base interactions energy: -876.699 where: short stacking energy: -406.143 Base-Backbone interact. energy: 1.249 local terms energy: -565.102490 where: bonds (distance) C4'-P energy: -122.440 bonds (distance) P-C4' energy: -152.082 flat angles C4'-P-C4' energy: -136.281 flat angles P-C4'-P energy: -82.699 tors. eta vs tors. theta energy: -71.600 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: 9, replica: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -943.226568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.226568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.226568 (E_RNA) where: Base-Base interactions energy: -528.303 where: short stacking energy: -256.723 Base-Backbone interact. energy: -0.791 local terms energy: -414.131956 where: bonds (distance) C4'-P energy: -131.921 bonds (distance) P-C4' energy: -117.904 flat angles C4'-P-C4' energy: -118.473 flat angles P-C4'-P energy: -56.061 tors. eta vs tors. theta energy: 10.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -834.390174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.390174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.390174 (E_RNA) where: Base-Base interactions energy: -396.812 where: short stacking energy: -237.795 Base-Backbone interact. energy: -3.903 local terms energy: -433.674648 where: bonds (distance) C4'-P energy: -144.244 bonds (distance) P-C4' energy: -140.525 flat angles C4'-P-C4' energy: -109.281 flat angles P-C4'-P energy: -42.529 tors. eta vs tors. theta energy: 2.904 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: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2968.083062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.083062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.083062 (E_RNA) where: Base-Base interactions energy: -2076.212 where: short stacking energy: -846.271 Base-Backbone interact. energy: -2.429 local terms energy: -889.442276 where: bonds (distance) C4'-P energy: -174.043 bonds (distance) P-C4' energy: -158.981 flat angles C4'-P-C4' energy: -197.205 flat angles P-C4'-P energy: -113.486 tors. eta vs tors. theta energy: -245.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2867.842893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.842893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.842893 (E_RNA) where: Base-Base interactions energy: -1972.275 where: short stacking energy: -797.688 Base-Backbone interact. energy: -1.900 local terms energy: -893.668603 where: bonds (distance) C4'-P energy: -169.751 bonds (distance) P-C4' energy: -166.799 flat angles C4'-P-C4' energy: -196.475 flat angles P-C4'-P energy: -123.835 tors. eta vs tors. theta energy: -236.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2728.495993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.495993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.495993 (E_RNA) where: Base-Base interactions energy: -1892.908 where: short stacking energy: -786.733 Base-Backbone interact. energy: 0.476 local terms energy: -836.063572 where: bonds (distance) C4'-P energy: -149.036 bonds (distance) P-C4' energy: -161.985 flat angles C4'-P-C4' energy: -179.816 flat angles P-C4'-P energy: -110.557 tors. eta vs tors. theta energy: -234.669 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: 9 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2518.897679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.897679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.897679 (E_RNA) where: Base-Base interactions energy: -1728.986 where: short stacking energy: -772.430 Base-Backbone interact. energy: 4.038 local terms energy: -793.949999 where: bonds (distance) C4'-P energy: -134.573 bonds (distance) P-C4' energy: -159.582 flat angles C4'-P-C4' energy: -168.200 flat angles P-C4'-P energy: -100.756 tors. eta vs tors. theta energy: -230.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2331.779569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.779569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.779569 (E_RNA) where: Base-Base interactions energy: -1585.139 where: short stacking energy: -636.880 Base-Backbone interact. energy: -4.104 local terms energy: -742.536767 where: bonds (distance) C4'-P energy: -152.287 bonds (distance) P-C4' energy: -140.191 flat angles C4'-P-C4' energy: -154.188 flat angles P-C4'-P energy: -113.283 tors. eta vs tors. theta energy: -182.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2101.495178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.495178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.495178 (E_RNA) where: Base-Base interactions energy: -1400.390 where: short stacking energy: -610.864 Base-Backbone interact. energy: -0.321 local terms energy: -700.784617 where: bonds (distance) C4'-P energy: -149.441 bonds (distance) P-C4' energy: -135.126 flat angles C4'-P-C4' energy: -157.659 flat angles P-C4'-P energy: -101.303 tors. eta vs tors. theta energy: -157.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1919.560624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.560624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.560624 (E_RNA) where: Base-Base interactions energy: -1279.532 where: short stacking energy: -565.436 Base-Backbone interact. energy: -1.234 local terms energy: -638.794944 where: bonds (distance) C4'-P energy: -140.047 bonds (distance) P-C4' energy: -147.320 flat angles C4'-P-C4' energy: -127.268 flat angles P-C4'-P energy: -91.804 tors. eta vs tors. theta energy: -132.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1481.557881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.557881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.557881 (E_RNA) where: Base-Base interactions energy: -912.459 where: short stacking energy: -429.958 Base-Backbone interact. energy: -0.756 local terms energy: -568.343530 where: bonds (distance) C4'-P energy: -136.150 bonds (distance) P-C4' energy: -141.853 flat angles C4'-P-C4' energy: -139.767 flat angles P-C4'-P energy: -78.831 tors. eta vs tors. theta energy: -71.743 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: 3 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -945.368449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.368449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.368449 (E_RNA) where: Base-Base interactions energy: -470.239 where: short stacking energy: -281.149 Base-Backbone interact. energy: -0.414 local terms energy: -474.715940 where: bonds (distance) C4'-P energy: -128.955 bonds (distance) P-C4' energy: -154.493 flat angles C4'-P-C4' energy: -128.705 flat angles P-C4'-P energy: -75.048 tors. eta vs tors. theta energy: 12.485 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: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -845.127146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.127146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.127146 (E_RNA) where: Base-Base interactions energy: -409.876 where: short stacking energy: -233.494 Base-Backbone interact. energy: 7.247 local terms energy: -442.497825 where: bonds (distance) C4'-P energy: -102.235 bonds (distance) P-C4' energy: -161.009 flat angles C4'-P-C4' energy: -129.031 flat angles P-C4'-P energy: -53.677 tors. eta vs tors. theta energy: 3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2961.731116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.731116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.731116 (E_RNA) where: Base-Base interactions energy: -2050.827 where: short stacking energy: -869.318 Base-Backbone interact. energy: -5.869 local terms energy: -905.034598 where: bonds (distance) C4'-P energy: -154.663 bonds (distance) P-C4' energy: -169.479 flat angles C4'-P-C4' energy: -192.793 flat angles P-C4'-P energy: -125.762 tors. eta vs tors. theta energy: -262.337 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: 5 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2893.024757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.024757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.024757 (E_RNA) where: Base-Base interactions energy: -2001.069 where: short stacking energy: -823.203 Base-Backbone interact. energy: -2.458 local terms energy: -889.497700 where: bonds (distance) C4'-P energy: -165.188 bonds (distance) P-C4' energy: -163.734 flat angles C4'-P-C4' energy: -187.346 flat angles P-C4'-P energy: -124.443 tors. eta vs tors. theta energy: -248.786 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: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2775.313074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.313074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.313074 (E_RNA) where: Base-Base interactions energy: -1931.681 where: short stacking energy: -795.924 Base-Backbone interact. energy: -4.322 local terms energy: -839.309697 where: bonds (distance) C4'-P energy: -158.023 bonds (distance) P-C4' energy: -169.735 flat angles C4'-P-C4' energy: -179.462 flat angles P-C4'-P energy: -98.783 tors. eta vs tors. theta energy: -233.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2502.132030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.132030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.132030 (E_RNA) where: Base-Base interactions energy: -1682.618 where: short stacking energy: -764.518 Base-Backbone interact. energy: 2.355 local terms energy: -821.868595 where: bonds (distance) C4'-P energy: -144.537 bonds (distance) P-C4' energy: -152.504 flat angles C4'-P-C4' energy: -180.066 flat angles P-C4'-P energy: -121.894 tors. eta vs tors. theta energy: -222.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2404.022707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.022707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.022707 (E_RNA) where: Base-Base interactions energy: -1640.400 where: short stacking energy: -679.997 Base-Backbone interact. energy: -6.761 local terms energy: -756.861306 where: bonds (distance) C4'-P energy: -137.352 bonds (distance) P-C4' energy: -142.764 flat angles C4'-P-C4' energy: -168.836 flat angles P-C4'-P energy: -114.752 tors. eta vs tors. theta energy: -193.158 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: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2022.375074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.375074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.375074 (E_RNA) where: Base-Base interactions energy: -1336.976 where: short stacking energy: -584.099 Base-Backbone interact. energy: 0.265 local terms energy: -685.663762 where: bonds (distance) C4'-P energy: -137.962 bonds (distance) P-C4' energy: -151.795 flat angles C4'-P-C4' energy: -157.306 flat angles P-C4'-P energy: -99.078 tors. eta vs tors. theta energy: -139.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1890.764145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.764145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.764145 (E_RNA) where: Base-Base interactions energy: -1248.411 where: short stacking energy: -556.244 Base-Backbone interact. energy: -2.659 local terms energy: -639.694220 where: bonds (distance) C4'-P energy: -137.851 bonds (distance) P-C4' energy: -147.124 flat angles C4'-P-C4' energy: -148.787 flat angles P-C4'-P energy: -82.402 tors. eta vs tors. theta energy: -123.531 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: 8, replica: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1429.623249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.623249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.623249 (E_RNA) where: Base-Base interactions energy: -869.094 where: short stacking energy: -380.570 Base-Backbone interact. energy: 0.598 local terms energy: -561.127363 where: bonds (distance) C4'-P energy: -121.972 bonds (distance) P-C4' energy: -157.410 flat angles C4'-P-C4' energy: -130.073 flat angles P-C4'-P energy: -88.630 tors. eta vs tors. theta energy: -63.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -955.432407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.432407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.432407 (E_RNA) where: Base-Base interactions energy: -457.098 where: short stacking energy: -266.247 Base-Backbone interact. energy: -4.481 local terms energy: -493.853296 where: bonds (distance) C4'-P energy: -137.343 bonds (distance) P-C4' energy: -134.460 flat angles C4'-P-C4' energy: -140.304 flat angles P-C4'-P energy: -70.633 tors. eta vs tors. theta energy: -11.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -831.700127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.700127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.700127 (E_RNA) where: Base-Base interactions energy: -405.156 where: short stacking energy: -224.115 Base-Backbone interact. energy: 2.008 local terms energy: -428.552547 where: bonds (distance) C4'-P energy: -121.124 bonds (distance) P-C4' energy: -151.478 flat angles C4'-P-C4' energy: -104.932 flat angles P-C4'-P energy: -70.011 tors. eta vs tors. theta energy: 18.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2945.185577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.185577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.185577 (E_RNA) where: Base-Base interactions energy: -2057.590 where: short stacking energy: -854.464 Base-Backbone interact. energy: -1.558 local terms energy: -886.038369 where: bonds (distance) C4'-P energy: -150.513 bonds (distance) P-C4' energy: -163.246 flat angles C4'-P-C4' energy: -186.234 flat angles P-C4'-P energy: -134.426 tors. eta vs tors. theta energy: -251.620 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: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2873.805188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.805188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.805188 (E_RNA) where: Base-Base interactions energy: -1986.486 where: short stacking energy: -808.862 Base-Backbone interact. energy: -2.054 local terms energy: -885.265162 where: bonds (distance) C4'-P energy: -162.131 bonds (distance) P-C4' energy: -170.769 flat angles C4'-P-C4' energy: -180.734 flat angles P-C4'-P energy: -130.394 tors. eta vs tors. theta energy: -241.236 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: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2732.772977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.772977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.772977 (E_RNA) where: Base-Base interactions energy: -1899.141 where: short stacking energy: -766.516 Base-Backbone interact. energy: -2.353 local terms energy: -831.279518 where: bonds (distance) C4'-P energy: -157.356 bonds (distance) P-C4' energy: -156.679 flat angles C4'-P-C4' energy: -181.532 flat angles P-C4'-P energy: -111.847 tors. eta vs tors. theta energy: -223.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2557.481443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.481443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.481443 (E_RNA) where: Base-Base interactions energy: -1738.532 where: short stacking energy: -745.517 Base-Backbone interact. energy: -2.956 local terms energy: -815.993780 where: bonds (distance) C4'-P energy: -152.464 bonds (distance) P-C4' energy: -157.354 flat angles C4'-P-C4' energy: -167.480 flat angles P-C4'-P energy: -104.000 tors. eta vs tors. theta energy: -234.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2390.267829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.267829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.267829 (E_RNA) where: Base-Base interactions energy: -1655.249 where: short stacking energy: -664.249 Base-Backbone interact. energy: -1.111 local terms energy: -733.907367 where: bonds (distance) C4'-P energy: -139.681 bonds (distance) P-C4' energy: -147.545 flat angles C4'-P-C4' energy: -155.188 flat angles P-C4'-P energy: -101.550 tors. eta vs tors. theta energy: -189.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2064.455327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.455327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.455327 (E_RNA) where: Base-Base interactions energy: -1312.155 where: short stacking energy: -582.682 Base-Backbone interact. energy: 4.957 local terms energy: -757.257599 where: bonds (distance) C4'-P energy: -157.589 bonds (distance) P-C4' energy: -168.432 flat angles C4'-P-C4' energy: -173.132 flat angles P-C4'-P energy: -101.349 tors. eta vs tors. theta energy: -156.755 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: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1967.861604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.861604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.861604 (E_RNA) where: Base-Base interactions energy: -1321.302 where: short stacking energy: -566.321 Base-Backbone interact. energy: 4.260 local terms energy: -650.819643 where: bonds (distance) C4'-P energy: -132.106 bonds (distance) P-C4' energy: -142.573 flat angles C4'-P-C4' energy: -141.712 flat angles P-C4'-P energy: -97.896 tors. eta vs tors. theta energy: -136.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1392.720549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.720549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.720549 (E_RNA) where: Base-Base interactions energy: -843.625 where: short stacking energy: -375.222 Base-Backbone interact. energy: -1.676 local terms energy: -547.419314 where: bonds (distance) C4'-P energy: -128.536 bonds (distance) P-C4' energy: -145.195 flat angles C4'-P-C4' energy: -132.784 flat angles P-C4'-P energy: -93.905 tors. eta vs tors. theta energy: -46.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -976.532679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.532679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.532679 (E_RNA) where: Base-Base interactions energy: -516.982 where: short stacking energy: -240.126 Base-Backbone interact. energy: 5.144 local terms energy: -464.694906 where: bonds (distance) C4'-P energy: -131.115 bonds (distance) P-C4' energy: -137.916 flat angles C4'-P-C4' energy: -124.918 flat angles P-C4'-P energy: -67.718 tors. eta vs tors. theta energy: -3.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -920.258247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.258247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.258247 (E_RNA) where: Base-Base interactions energy: -490.074 where: short stacking energy: -248.315 Base-Backbone interact. energy: 3.442 local terms energy: -433.627020 where: bonds (distance) C4'-P energy: -112.051 bonds (distance) P-C4' energy: -139.885 flat angles C4'-P-C4' energy: -132.388 flat angles P-C4'-P energy: -58.740 tors. eta vs tors. theta energy: 9.437 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: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2957.714706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.714706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.714706 (E_RNA) where: Base-Base interactions energy: -2044.971 where: short stacking energy: -856.979 Base-Backbone interact. energy: -1.181 local terms energy: -911.562392 where: bonds (distance) C4'-P energy: -146.654 bonds (distance) P-C4' energy: -172.269 flat angles C4'-P-C4' energy: -191.709 flat angles P-C4'-P energy: -135.996 tors. eta vs tors. theta energy: -264.935 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: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2894.184097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.184097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.184097 (E_RNA) where: Base-Base interactions energy: -2054.030 where: short stacking energy: -823.505 Base-Backbone interact. energy: -2.665 local terms energy: -837.489783 where: bonds (distance) C4'-P energy: -154.062 bonds (distance) P-C4' energy: -138.379 flat angles C4'-P-C4' energy: -178.890 flat angles P-C4'-P energy: -119.782 tors. eta vs tors. theta energy: -246.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2737.676315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.676315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.676315 (E_RNA) where: Base-Base interactions energy: -1901.869 where: short stacking energy: -778.812 Base-Backbone interact. energy: -1.794 local terms energy: -834.013196 where: bonds (distance) C4'-P energy: -151.037 bonds (distance) P-C4' energy: -151.962 flat angles C4'-P-C4' energy: -173.707 flat angles P-C4'-P energy: -138.026 tors. eta vs tors. theta energy: -219.281 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: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2503.664841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.664841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.664841 (E_RNA) where: Base-Base interactions energy: -1692.810 where: short stacking energy: -707.892 Base-Backbone interact. energy: -3.857 local terms energy: -806.997439 where: bonds (distance) C4'-P energy: -153.967 bonds (distance) P-C4' energy: -148.221 flat angles C4'-P-C4' energy: -180.496 flat angles P-C4'-P energy: -99.926 tors. eta vs tors. theta energy: -224.388 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: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2396.343050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.343050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.343050 (E_RNA) where: Base-Base interactions energy: -1653.615 where: short stacking energy: -672.627 Base-Backbone interact. energy: -1.248 local terms energy: -741.480193 where: bonds (distance) C4'-P energy: -141.252 bonds (distance) P-C4' energy: -164.776 flat angles C4'-P-C4' energy: -165.343 flat angles P-C4'-P energy: -93.379 tors. eta vs tors. theta energy: -176.730 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: 6, replica: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2038.324599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.324599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.324599 (E_RNA) where: Base-Base interactions energy: -1361.131 where: short stacking energy: -590.981 Base-Backbone interact. energy: -4.682 local terms energy: -672.511074 where: bonds (distance) C4'-P energy: -141.433 bonds (distance) P-C4' energy: -141.301 flat angles C4'-P-C4' energy: -148.665 flat angles P-C4'-P energy: -93.720 tors. eta vs tors. theta energy: -147.393 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: 8 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1886.392702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.392702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.392702 (E_RNA) where: Base-Base interactions energy: -1263.682 where: short stacking energy: -544.043 Base-Backbone interact. energy: -3.081 local terms energy: -619.629056 where: bonds (distance) C4'-P energy: -130.621 bonds (distance) P-C4' energy: -138.598 flat angles C4'-P-C4' energy: -140.416 flat angles P-C4'-P energy: -98.169 tors. eta vs tors. theta energy: -111.825 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: 1 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1309.303632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.303632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.303632 (E_RNA) where: Base-Base interactions energy: -761.790 where: short stacking energy: -328.292 Base-Backbone interact. energy: -2.194 local terms energy: -545.320312 where: bonds (distance) C4'-P energy: -131.475 bonds (distance) P-C4' energy: -133.597 flat angles C4'-P-C4' energy: -143.721 flat angles P-C4'-P energy: -97.457 tors. eta vs tors. theta energy: -39.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -977.716326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.716326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.716326 (E_RNA) where: Base-Base interactions energy: -505.976 where: short stacking energy: -270.213 Base-Backbone interact. energy: -3.958 local terms energy: -467.782524 where: bonds (distance) C4'-P energy: -141.423 bonds (distance) P-C4' energy: -119.049 flat angles C4'-P-C4' energy: -110.581 flat angles P-C4'-P energy: -78.823 tors. eta vs tors. theta energy: -17.907 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: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -820.954900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.954900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.954900 (E_RNA) where: Base-Base interactions energy: -396.465 where: short stacking energy: -216.287 Base-Backbone interact. energy: 1.263 local terms energy: -425.753197 where: bonds (distance) C4'-P energy: -140.552 bonds (distance) P-C4' energy: -120.849 flat angles C4'-P-C4' energy: -120.052 flat angles P-C4'-P energy: -62.532 tors. eta vs tors. theta energy: 18.232 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: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2937.306943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.306943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.306943 (E_RNA) where: Base-Base interactions energy: -2052.162 where: short stacking energy: -836.599 Base-Backbone interact. energy: -3.346 local terms energy: -881.798411 where: bonds (distance) C4'-P energy: -146.910 bonds (distance) P-C4' energy: -166.022 flat angles C4'-P-C4' energy: -192.091 flat angles P-C4'-P energy: -125.865 tors. eta vs tors. theta energy: -250.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2884.758121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.758121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.758121 (E_RNA) where: Base-Base interactions energy: -2025.373 where: short stacking energy: -816.965 Base-Backbone interact. energy: -1.460 local terms energy: -857.925337 where: bonds (distance) C4'-P energy: -156.827 bonds (distance) P-C4' energy: -161.799 flat angles C4'-P-C4' energy: -184.888 flat angles P-C4'-P energy: -109.785 tors. eta vs tors. theta energy: -244.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2739.415060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.415060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.415060 (E_RNA) where: Base-Base interactions energy: -1887.896 where: short stacking energy: -790.725 Base-Backbone interact. energy: -3.143 local terms energy: -848.375690 where: bonds (distance) C4'-P energy: -160.500 bonds (distance) P-C4' energy: -160.605 flat angles C4'-P-C4' energy: -183.201 flat angles P-C4'-P energy: -119.868 tors. eta vs tors. theta energy: -224.201 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: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2517.496347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.496347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.496347 (E_RNA) where: Base-Base interactions energy: -1716.565 where: short stacking energy: -748.835 Base-Backbone interact. energy: -2.934 local terms energy: -797.997022 where: bonds (distance) C4'-P energy: -137.256 bonds (distance) P-C4' energy: -123.706 flat angles C4'-P-C4' energy: -183.533 flat angles P-C4'-P energy: -123.723 tors. eta vs tors. theta energy: -229.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2436.423484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.423484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.423484 (E_RNA) where: Base-Base interactions energy: -1695.532 where: short stacking energy: -703.004 Base-Backbone interact. energy: -7.711 local terms energy: -733.180645 where: bonds (distance) C4'-P energy: -151.838 bonds (distance) P-C4' energy: -137.268 flat angles C4'-P-C4' energy: -145.587 flat angles P-C4'-P energy: -105.701 tors. eta vs tors. theta energy: -192.786 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: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1993.603987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.603987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.603987 (E_RNA) where: Base-Base interactions energy: -1329.555 where: short stacking energy: -560.905 Base-Backbone interact. energy: -1.111 local terms energy: -662.937914 where: bonds (distance) C4'-P energy: -136.301 bonds (distance) P-C4' energy: -140.148 flat angles C4'-P-C4' energy: -165.553 flat angles P-C4'-P energy: -85.528 tors. eta vs tors. theta energy: -135.408 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: 8 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1885.407035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.407035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.407035 (E_RNA) where: Base-Base interactions energy: -1251.844 where: short stacking energy: -548.341 Base-Backbone interact. energy: -0.072 local terms energy: -633.491398 where: bonds (distance) C4'-P energy: -130.580 bonds (distance) P-C4' energy: -142.098 flat angles C4'-P-C4' energy: -139.121 flat angles P-C4'-P energy: -96.318 tors. eta vs tors. theta energy: -125.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1281.940477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.940477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.940477 (E_RNA) where: Base-Base interactions energy: -756.780 where: short stacking energy: -388.328 Base-Backbone interact. energy: 0.190 local terms energy: -525.350867 where: bonds (distance) C4'-P energy: -121.408 bonds (distance) P-C4' energy: -120.456 flat angles C4'-P-C4' energy: -139.519 flat angles P-C4'-P energy: -88.504 tors. eta vs tors. theta energy: -55.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -941.276929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.276929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.276929 (E_RNA) where: Base-Base interactions energy: -491.426 where: short stacking energy: -256.281 Base-Backbone interact. energy: -1.834 local terms energy: -448.016347 where: bonds (distance) C4'-P energy: -131.530 bonds (distance) P-C4' energy: -139.595 flat angles C4'-P-C4' energy: -128.717 flat angles P-C4'-P energy: -49.813 tors. eta vs tors. theta energy: 1.638 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: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -808.764169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.764169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.764169 (E_RNA) where: Base-Base interactions energy: -403.040 where: short stacking energy: -237.271 Base-Backbone interact. energy: 7.741 local terms energy: -413.465278 where: bonds (distance) C4'-P energy: -117.417 bonds (distance) P-C4' energy: -123.065 flat angles C4'-P-C4' energy: -113.128 flat angles P-C4'-P energy: -63.662 tors. eta vs tors. theta energy: 3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2928.441302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.441302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.441302 (E_RNA) where: Base-Base interactions energy: -2048.589 where: short stacking energy: -837.051 Base-Backbone interact. energy: -7.562 local terms energy: -872.290881 where: bonds (distance) C4'-P energy: -147.786 bonds (distance) P-C4' energy: -158.703 flat angles C4'-P-C4' energy: -187.865 flat angles P-C4'-P energy: -129.325 tors. eta vs tors. theta energy: -248.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2882.416082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.416082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.416082 (E_RNA) where: Base-Base interactions energy: -2009.260 where: short stacking energy: -793.237 Base-Backbone interact. energy: -4.785 local terms energy: -868.371529 where: bonds (distance) C4'-P energy: -173.588 bonds (distance) P-C4' energy: -165.624 flat angles C4'-P-C4' energy: -187.615 flat angles P-C4'-P energy: -110.971 tors. eta vs tors. theta energy: -230.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2677.361400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.361400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.361400 (E_RNA) where: Base-Base interactions energy: -1856.277 where: short stacking energy: -771.940 Base-Backbone interact. energy: -0.030 local terms energy: -821.053883 where: bonds (distance) C4'-P energy: -163.445 bonds (distance) P-C4' energy: -142.239 flat angles C4'-P-C4' energy: -176.330 flat angles P-C4'-P energy: -121.532 tors. eta vs tors. theta energy: -217.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2510.071686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.071686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.071686 (E_RNA) where: Base-Base interactions energy: -1718.898 where: short stacking energy: -725.587 Base-Backbone interact. energy: -1.033 local terms energy: -790.140946 where: bonds (distance) C4'-P energy: -153.271 bonds (distance) P-C4' energy: -144.324 flat angles C4'-P-C4' energy: -170.403 flat angles P-C4'-P energy: -97.776 tors. eta vs tors. theta energy: -224.367 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: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2402.973560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.973560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.973560 (E_RNA) where: Base-Base interactions energy: -1605.241 where: short stacking energy: -677.641 Base-Backbone interact. energy: -3.623 local terms energy: -794.108778 where: bonds (distance) C4'-P energy: -160.534 bonds (distance) P-C4' energy: -146.940 flat angles C4'-P-C4' energy: -183.628 flat angles P-C4'-P energy: -115.423 tors. eta vs tors. theta energy: -187.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2029.487710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.487710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.487710 (E_RNA) where: Base-Base interactions energy: -1350.337 where: short stacking energy: -554.392 Base-Backbone interact. energy: -0.913 local terms energy: -678.237597 where: bonds (distance) C4'-P energy: -131.088 bonds (distance) P-C4' energy: -147.496 flat angles C4'-P-C4' energy: -169.428 flat angles P-C4'-P energy: -95.137 tors. eta vs tors. theta energy: -135.090 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: 8 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1904.878089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.878089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.878089 (E_RNA) where: Base-Base interactions energy: -1240.250 where: short stacking energy: -556.223 Base-Backbone interact. energy: 1.051 local terms energy: -665.679152 where: bonds (distance) C4'-P energy: -110.314 bonds (distance) P-C4' energy: -150.870 flat angles C4'-P-C4' energy: -156.768 flat angles P-C4'-P energy: -100.706 tors. eta vs tors. theta energy: -147.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1286.603928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.603928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.603928 (E_RNA) where: Base-Base interactions energy: -768.169 where: short stacking energy: -347.415 Base-Backbone interact. energy: 7.307 local terms energy: -525.741462 where: bonds (distance) C4'-P energy: -138.968 bonds (distance) P-C4' energy: -145.062 flat angles C4'-P-C4' energy: -126.806 flat angles P-C4'-P energy: -85.857 tors. eta vs tors. theta energy: -29.049 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: 9, replica: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -945.184915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.184915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.184915 (E_RNA) where: Base-Base interactions energy: -497.315 where: short stacking energy: -269.081 Base-Backbone interact. energy: 1.605 local terms energy: -449.475157 where: bonds (distance) C4'-P energy: -126.770 bonds (distance) P-C4' energy: -139.029 flat angles C4'-P-C4' energy: -135.070 flat angles P-C4'-P energy: -52.529 tors. eta vs tors. theta energy: 3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -808.531676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.531676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.531676 (E_RNA) where: Base-Base interactions energy: -342.627 where: short stacking energy: -192.779 Base-Backbone interact. energy: -1.987 local terms energy: -463.917568 where: bonds (distance) C4'-P energy: -141.723 bonds (distance) P-C4' energy: -143.956 flat angles C4'-P-C4' energy: -117.712 flat angles P-C4'-P energy: -82.096 tors. eta vs tors. theta energy: 21.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2926.456399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.456399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.456399 (E_RNA) where: Base-Base interactions energy: -1996.781 where: short stacking energy: -836.106 Base-Backbone interact. energy: -5.793 local terms energy: -923.882666 where: bonds (distance) C4'-P energy: -163.554 bonds (distance) P-C4' energy: -176.423 flat angles C4'-P-C4' energy: -192.056 flat angles P-C4'-P energy: -143.125 tors. eta vs tors. theta energy: -248.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2886.131181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.131181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.131181 (E_RNA) where: Base-Base interactions energy: -2032.454 where: short stacking energy: -828.664 Base-Backbone interact. energy: -2.642 local terms energy: -851.035929 where: bonds (distance) C4'-P energy: -148.491 bonds (distance) P-C4' energy: -157.306 flat angles C4'-P-C4' energy: -183.259 flat angles P-C4'-P energy: -127.659 tors. eta vs tors. theta energy: -234.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2721.415756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.415756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.415756 (E_RNA) where: Base-Base interactions energy: -1870.980 where: short stacking energy: -748.716 Base-Backbone interact. energy: -0.954 local terms energy: -849.481979 where: bonds (distance) C4'-P energy: -154.676 bonds (distance) P-C4' energy: -173.976 flat angles C4'-P-C4' energy: -176.114 flat angles P-C4'-P energy: -135.312 tors. eta vs tors. theta energy: -209.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2522.474014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.474014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.474014 (E_RNA) where: Base-Base interactions energy: -1751.515 where: short stacking energy: -738.586 Base-Backbone interact. energy: 0.001 local terms energy: -770.959984 where: bonds (distance) C4'-P energy: -154.061 bonds (distance) P-C4' energy: -129.616 flat angles C4'-P-C4' energy: -162.480 flat angles P-C4'-P energy: -111.767 tors. eta vs tors. theta energy: -213.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2422.442590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.442590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.442590 (E_RNA) where: Base-Base interactions energy: -1675.341 where: short stacking energy: -672.832 Base-Backbone interact. energy: 0.572 local terms energy: -747.674084 where: bonds (distance) C4'-P energy: -148.141 bonds (distance) P-C4' energy: -148.233 flat angles C4'-P-C4' energy: -171.017 flat angles P-C4'-P energy: -100.207 tors. eta vs tors. theta energy: -180.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2064.745376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.745376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.745376 (E_RNA) where: Base-Base interactions energy: -1390.837 where: short stacking energy: -609.092 Base-Backbone interact. energy: -7.116 local terms energy: -666.791537 where: bonds (distance) C4'-P energy: -118.020 bonds (distance) P-C4' energy: -153.115 flat angles C4'-P-C4' energy: -145.128 flat angles P-C4'-P energy: -97.937 tors. eta vs tors. theta energy: -152.592 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: 8 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1924.324917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.324917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.324917 (E_RNA) where: Base-Base interactions energy: -1251.618 where: short stacking energy: -545.910 Base-Backbone interact. energy: -2.520 local terms energy: -670.187326 where: bonds (distance) C4'-P energy: -127.981 bonds (distance) P-C4' energy: -159.307 flat angles C4'-P-C4' energy: -152.146 flat angles P-C4'-P energy: -81.028 tors. eta vs tors. theta energy: -149.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1251.837564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.837564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.837564 (E_RNA) where: Base-Base interactions energy: -733.098 where: short stacking energy: -351.139 Base-Backbone interact. energy: 4.766 local terms energy: -523.505640 where: bonds (distance) C4'-P energy: -105.176 bonds (distance) P-C4' energy: -150.258 flat angles C4'-P-C4' energy: -158.035 flat angles P-C4'-P energy: -60.474 tors. eta vs tors. theta energy: -49.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -878.682377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.682377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.682377 (E_RNA) where: Base-Base interactions energy: -420.650 where: short stacking energy: -241.080 Base-Backbone interact. energy: 4.239 local terms energy: -462.271467 where: bonds (distance) C4'-P energy: -128.693 bonds (distance) P-C4' energy: -143.486 flat angles C4'-P-C4' energy: -105.590 flat angles P-C4'-P energy: -75.090 tors. eta vs tors. theta energy: -9.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -826.774999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.774999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.774999 (E_RNA) where: Base-Base interactions energy: -432.811 where: short stacking energy: -262.163 Base-Backbone interact. energy: 8.708 local terms energy: -402.672687 where: bonds (distance) C4'-P energy: -122.654 bonds (distance) P-C4' energy: -125.314 flat angles C4'-P-C4' energy: -93.148 flat angles P-C4'-P energy: -61.778 tors. eta vs tors. theta energy: 0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2944.840213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.840213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.840213 (E_RNA) where: Base-Base interactions energy: -2045.971 where: short stacking energy: -866.791 Base-Backbone interact. energy: -5.502 local terms energy: -893.366605 where: bonds (distance) C4'-P energy: -167.414 bonds (distance) P-C4' energy: -147.783 flat angles C4'-P-C4' energy: -190.017 flat angles P-C4'-P energy: -134.667 tors. eta vs tors. theta energy: -253.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2853.091617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.091617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.091617 (E_RNA) where: Base-Base interactions energy: -1997.942 where: short stacking energy: -803.960 Base-Backbone interact. energy: -2.992 local terms energy: -852.157540 where: bonds (distance) C4'-P energy: -162.150 bonds (distance) P-C4' energy: -152.101 flat angles C4'-P-C4' energy: -189.978 flat angles P-C4'-P energy: -112.873 tors. eta vs tors. theta energy: -235.055 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: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2760.771195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.771195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.771195 (E_RNA) where: Base-Base interactions energy: -1908.977 where: short stacking energy: -790.930 Base-Backbone interact. energy: -4.017 local terms energy: -847.777610 where: bonds (distance) C4'-P energy: -162.182 bonds (distance) P-C4' energy: -150.643 flat angles C4'-P-C4' energy: -182.871 flat angles P-C4'-P energy: -130.474 tors. eta vs tors. theta energy: -221.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2502.661140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.661140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.661140 (E_RNA) where: Base-Base interactions energy: -1725.796 where: short stacking energy: -737.470 Base-Backbone interact. energy: -2.015 local terms energy: -774.850652 where: bonds (distance) C4'-P energy: -122.113 bonds (distance) P-C4' energy: -155.397 flat angles C4'-P-C4' energy: -167.391 flat angles P-C4'-P energy: -106.525 tors. eta vs tors. theta energy: -223.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2462.041798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.041798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.041798 (E_RNA) where: Base-Base interactions energy: -1690.077 where: short stacking energy: -697.915 Base-Backbone interact. energy: -1.618 local terms energy: -770.346933 where: bonds (distance) C4'-P energy: -144.481 bonds (distance) P-C4' energy: -160.688 flat angles C4'-P-C4' energy: -158.375 flat angles P-C4'-P energy: -115.378 tors. eta vs tors. theta energy: -191.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2133.239363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.239363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.239363 (E_RNA) where: Base-Base interactions energy: -1426.248 where: short stacking energy: -615.632 Base-Backbone interact. energy: 1.120 local terms energy: -708.112079 where: bonds (distance) C4'-P energy: -132.116 bonds (distance) P-C4' energy: -145.379 flat angles C4'-P-C4' energy: -165.662 flat angles P-C4'-P energy: -101.321 tors. eta vs tors. theta energy: -163.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1941.500642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.500642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.500642 (E_RNA) where: Base-Base interactions energy: -1279.924 where: short stacking energy: -553.954 Base-Backbone interact. energy: -3.740 local terms energy: -657.836283 where: bonds (distance) C4'-P energy: -132.474 bonds (distance) P-C4' energy: -124.420 flat angles C4'-P-C4' energy: -161.975 flat angles P-C4'-P energy: -94.617 tors. eta vs tors. theta energy: -144.350 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: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1265.794182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.794182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.794182 (E_RNA) where: Base-Base interactions energy: -701.041 where: short stacking energy: -339.711 Base-Backbone interact. energy: -3.495 local terms energy: -561.258734 where: bonds (distance) C4'-P energy: -128.565 bonds (distance) P-C4' energy: -152.781 flat angles C4'-P-C4' energy: -145.771 flat angles P-C4'-P energy: -88.631 tors. eta vs tors. theta energy: -45.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -959.526363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.526363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.526363 (E_RNA) where: Base-Base interactions energy: -472.921 where: short stacking energy: -262.392 Base-Backbone interact. energy: -0.478 local terms energy: -486.127373 where: bonds (distance) C4'-P energy: -149.482 bonds (distance) P-C4' energy: -123.653 flat angles C4'-P-C4' energy: -123.001 flat angles P-C4'-P energy: -78.938 tors. eta vs tors. theta energy: -11.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -784.898996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.898996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.898996 (E_RNA) where: Base-Base interactions energy: -359.062 where: short stacking energy: -208.105 Base-Backbone interact. energy: 3.470 local terms energy: -429.306832 where: bonds (distance) C4'-P energy: -133.663 bonds (distance) P-C4' energy: -130.427 flat angles C4'-P-C4' energy: -103.822 flat angles P-C4'-P energy: -72.019 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: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2945.336350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.336350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.336350 (E_RNA) where: Base-Base interactions energy: -2042.778 where: short stacking energy: -848.140 Base-Backbone interact. energy: -2.153 local terms energy: -900.405715 where: bonds (distance) C4'-P energy: -154.258 bonds (distance) P-C4' energy: -169.254 flat angles C4'-P-C4' energy: -189.586 flat angles P-C4'-P energy: -133.022 tors. eta vs tors. theta energy: -254.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2855.816429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.816429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.816429 (E_RNA) where: Base-Base interactions energy: -1994.568 where: short stacking energy: -805.580 Base-Backbone interact. energy: 1.938 local terms energy: -863.185962 where: bonds (distance) C4'-P energy: -164.615 bonds (distance) P-C4' energy: -150.790 flat angles C4'-P-C4' energy: -193.370 flat angles P-C4'-P energy: -116.320 tors. eta vs tors. theta energy: -238.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2727.647098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.647098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.647098 (E_RNA) where: Base-Base interactions energy: -1880.719 where: short stacking energy: -768.589 Base-Backbone interact. energy: -1.318 local terms energy: -845.609793 where: bonds (distance) C4'-P energy: -161.292 bonds (distance) P-C4' energy: -160.104 flat angles C4'-P-C4' energy: -177.592 flat angles P-C4'-P energy: -127.750 tors. eta vs tors. theta energy: -218.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2543.687489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.687489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.687489 (E_RNA) where: Base-Base interactions energy: -1730.037 where: short stacking energy: -745.112 Base-Backbone interact. energy: -1.485 local terms energy: -812.165147 where: bonds (distance) C4'-P energy: -133.649 bonds (distance) P-C4' energy: -175.684 flat angles C4'-P-C4' energy: -174.535 flat angles P-C4'-P energy: -106.775 tors. eta vs tors. theta energy: -221.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2403.634577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.634577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.634577 (E_RNA) where: Base-Base interactions energy: -1660.080 where: short stacking energy: -695.262 Base-Backbone interact. energy: -1.469 local terms energy: -742.085259 where: bonds (distance) C4'-P energy: -149.441 bonds (distance) P-C4' energy: -130.859 flat angles C4'-P-C4' energy: -172.339 flat angles P-C4'-P energy: -94.095 tors. eta vs tors. theta energy: -195.351 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: 6, replica: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2173.935498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.935498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.935498 (E_RNA) where: Base-Base interactions energy: -1446.877 where: short stacking energy: -582.928 Base-Backbone interact. energy: -3.594 local terms energy: -723.465328 where: bonds (distance) C4'-P energy: -135.800 bonds (distance) P-C4' energy: -166.475 flat angles C4'-P-C4' energy: -159.827 flat angles P-C4'-P energy: -92.750 tors. eta vs tors. theta energy: -168.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1866.962455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.962455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.962455 (E_RNA) where: Base-Base interactions energy: -1246.267 where: short stacking energy: -549.072 Base-Backbone interact. energy: -1.966 local terms energy: -618.729900 where: bonds (distance) C4'-P energy: -121.414 bonds (distance) P-C4' energy: -114.564 flat angles C4'-P-C4' energy: -128.595 flat angles P-C4'-P energy: -121.484 tors. eta vs tors. theta energy: -132.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1249.777768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.777768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.777768 (E_RNA) where: Base-Base interactions energy: -749.554 where: short stacking energy: -378.675 Base-Backbone interact. energy: 1.772 local terms energy: -501.995252 where: bonds (distance) C4'-P energy: -114.559 bonds (distance) P-C4' energy: -130.784 flat angles C4'-P-C4' energy: -140.121 flat angles P-C4'-P energy: -79.238 tors. eta vs tors. theta energy: -37.294 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: 10 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -943.329376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.329376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.329376 (E_RNA) where: Base-Base interactions energy: -481.146 where: short stacking energy: -293.769 Base-Backbone interact. energy: -0.289 local terms energy: -461.894244 where: bonds (distance) C4'-P energy: -112.876 bonds (distance) P-C4' energy: -122.059 flat angles C4'-P-C4' energy: -126.732 flat angles P-C4'-P energy: -79.810 tors. eta vs tors. theta energy: -20.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -776.795045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.795045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.795045 (E_RNA) where: Base-Base interactions energy: -350.835 where: short stacking energy: -239.143 Base-Backbone interact. energy: 1.141 local terms energy: -427.100860 where: bonds (distance) C4'-P energy: -119.692 bonds (distance) P-C4' energy: -126.772 flat angles C4'-P-C4' energy: -142.315 flat angles P-C4'-P energy: -60.666 tors. eta vs tors. theta energy: 22.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2953.552912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.552912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.552912 (E_RNA) where: Base-Base interactions energy: -2046.067 where: short stacking energy: -859.242 Base-Backbone interact. energy: -6.660 local terms energy: -900.825525 where: bonds (distance) C4'-P energy: -147.679 bonds (distance) P-C4' energy: -165.535 flat angles C4'-P-C4' energy: -198.745 flat angles P-C4'-P energy: -132.788 tors. eta vs tors. theta energy: -256.079 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: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2874.644538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.644538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.644538 (E_RNA) where: Base-Base interactions energy: -2016.523 where: short stacking energy: -800.003 Base-Backbone interact. energy: -3.941 local terms energy: -854.180629 where: bonds (distance) C4'-P energy: -149.954 bonds (distance) P-C4' energy: -152.206 flat angles C4'-P-C4' energy: -185.736 flat angles P-C4'-P energy: -127.873 tors. eta vs tors. theta energy: -238.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2747.114071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.114071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.114071 (E_RNA) where: Base-Base interactions energy: -1895.551 where: short stacking energy: -789.624 Base-Backbone interact. energy: -0.179 local terms energy: -851.383489 where: bonds (distance) C4'-P energy: -149.531 bonds (distance) P-C4' energy: -166.760 flat angles C4'-P-C4' energy: -179.734 flat angles P-C4'-P energy: -121.851 tors. eta vs tors. theta energy: -233.507 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: 9 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2565.495083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.495083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.495083 (E_RNA) where: Base-Base interactions energy: -1795.777 where: short stacking energy: -770.068 Base-Backbone interact. energy: -1.211 local terms energy: -768.506795 where: bonds (distance) C4'-P energy: -143.818 bonds (distance) P-C4' energy: -143.535 flat angles C4'-P-C4' energy: -170.488 flat angles P-C4'-P energy: -90.344 tors. eta vs tors. theta energy: -220.322 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: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2348.089182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.089182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.089182 (E_RNA) where: Base-Base interactions energy: -1598.372 where: short stacking energy: -672.771 Base-Backbone interact. energy: -1.977 local terms energy: -747.740652 where: bonds (distance) C4'-P energy: -146.793 bonds (distance) P-C4' energy: -157.687 flat angles C4'-P-C4' energy: -159.646 flat angles P-C4'-P energy: -104.829 tors. eta vs tors. theta energy: -178.786 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: 7 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2150.703636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.703636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.703636 (E_RNA) where: Base-Base interactions energy: -1438.895 where: short stacking energy: -618.967 Base-Backbone interact. energy: -2.215 local terms energy: -709.593260 where: bonds (distance) C4'-P energy: -134.494 bonds (distance) P-C4' energy: -134.957 flat angles C4'-P-C4' energy: -171.233 flat angles P-C4'-P energy: -111.448 tors. eta vs tors. theta energy: -157.461 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: 8 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1889.691734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.691734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.691734 (E_RNA) where: Base-Base interactions energy: -1248.157 where: short stacking energy: -552.846 Base-Backbone interact. energy: -2.692 local terms energy: -638.842305 where: bonds (distance) C4'-P energy: -131.508 bonds (distance) P-C4' energy: -145.220 flat angles C4'-P-C4' energy: -150.873 flat angles P-C4'-P energy: -85.118 tors. eta vs tors. theta energy: -126.124 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: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1284.406797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.406797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.406797 (E_RNA) where: Base-Base interactions energy: -764.231 where: short stacking energy: -348.120 Base-Backbone interact. energy: 1.671 local terms energy: -521.846081 where: bonds (distance) C4'-P energy: -107.962 bonds (distance) P-C4' energy: -149.501 flat angles C4'-P-C4' energy: -137.757 flat angles P-C4'-P energy: -81.327 tors. eta vs tors. theta energy: -45.298 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: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -913.163332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.163332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.163332 (E_RNA) where: Base-Base interactions energy: -444.741 where: short stacking energy: -268.478 Base-Backbone interact. energy: 4.072 local terms energy: -472.494932 where: bonds (distance) C4'-P energy: -129.202 bonds (distance) P-C4' energy: -128.213 flat angles C4'-P-C4' energy: -128.159 flat angles P-C4'-P energy: -67.365 tors. eta vs tors. theta energy: -19.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -789.760801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.760801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.760801 (E_RNA) where: Base-Base interactions energy: -356.758 where: short stacking energy: -212.369 Base-Backbone interact. energy: -3.586 local terms energy: -429.416860 where: bonds (distance) C4'-P energy: -142.376 bonds (distance) P-C4' energy: -131.172 flat angles C4'-P-C4' energy: -110.470 flat angles P-C4'-P energy: -67.060 tors. eta vs tors. theta energy: 21.661 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: 1, replica: 4 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2964.239772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.239772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.239772 (E_RNA) where: Base-Base interactions energy: -2014.322 where: short stacking energy: -852.518 Base-Backbone interact. energy: -6.855 local terms energy: -943.062107 where: bonds (distance) C4'-P energy: -172.233 bonds (distance) P-C4' energy: -183.074 flat angles C4'-P-C4' energy: -202.189 flat angles P-C4'-P energy: -124.328 tors. eta vs tors. theta energy: -261.240 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: 2, replica: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2858.240387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.240387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.240387 (E_RNA) where: Base-Base interactions energy: -1996.428 where: short stacking energy: -786.918 Base-Backbone interact. energy: -0.602 local terms energy: -861.210791 where: bonds (distance) C4'-P energy: -155.831 bonds (distance) P-C4' energy: -163.545 flat angles C4'-P-C4' energy: -183.457 flat angles P-C4'-P energy: -119.249 tors. eta vs tors. theta energy: -239.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2775.089287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.089287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.089287 (E_RNA) where: Base-Base interactions energy: -1936.807 where: short stacking energy: -795.189 Base-Backbone interact. energy: 3.146 local terms energy: -841.428448 where: bonds (distance) C4'-P energy: -159.140 bonds (distance) P-C4' energy: -151.853 flat angles C4'-P-C4' energy: -181.046 flat angles P-C4'-P energy: -109.263 tors. eta vs tors. theta energy: -240.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2549.753497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.753497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.753497 (E_RNA) where: Base-Base interactions energy: -1759.720 where: short stacking energy: -774.761 Base-Backbone interact. energy: -1.843 local terms energy: -788.191082 where: bonds (distance) C4'-P energy: -130.422 bonds (distance) P-C4' energy: -139.042 flat angles C4'-P-C4' energy: -174.365 flat angles P-C4'-P energy: -109.810 tors. eta vs tors. theta energy: -234.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2318.945264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.945264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.945264 (E_RNA) where: Base-Base interactions energy: -1621.529 where: short stacking energy: -674.007 Base-Backbone interact. energy: 0.310 local terms energy: -697.726325 where: bonds (distance) C4'-P energy: -131.658 bonds (distance) P-C4' energy: -128.431 flat angles C4'-P-C4' energy: -156.775 flat angles P-C4'-P energy: -104.923 tors. eta vs tors. theta energy: -175.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2091.427977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.427977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.427977 (E_RNA) where: Base-Base interactions energy: -1398.800 where: short stacking energy: -596.680 Base-Backbone interact. energy: -1.038 local terms energy: -691.589903 where: bonds (distance) C4'-P energy: -137.501 bonds (distance) P-C4' energy: -150.261 flat angles C4'-P-C4' energy: -136.709 flat angles P-C4'-P energy: -113.800 tors. eta vs tors. theta energy: -153.320 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: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1870.590231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.590231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.590231 (E_RNA) where: Base-Base interactions energy: -1241.399 where: short stacking energy: -509.431 Base-Backbone interact. energy: -3.599 local terms energy: -625.592296 where: bonds (distance) C4'-P energy: -102.600 bonds (distance) P-C4' energy: -151.423 flat angles C4'-P-C4' energy: -144.470 flat angles P-C4'-P energy: -89.870 tors. eta vs tors. theta energy: -137.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1232.728149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.728149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.728149 (E_RNA) where: Base-Base interactions energy: -712.480 where: short stacking energy: -334.152 Base-Backbone interact. energy: 1.190 local terms energy: -521.438044 where: bonds (distance) C4'-P energy: -135.970 bonds (distance) P-C4' energy: -132.104 flat angles C4'-P-C4' energy: -132.247 flat angles P-C4'-P energy: -88.900 tors. eta vs tors. theta energy: -32.216 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: 391 Temperature: 1.300000 Total energy: -928.183675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.183675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.183675 (E_RNA) where: Base-Base interactions energy: -461.413 where: short stacking energy: -269.936 Base-Backbone interact. energy: 2.618 local terms energy: -469.388269 where: bonds (distance) C4'-P energy: -115.017 bonds (distance) P-C4' energy: -156.581 flat angles C4'-P-C4' energy: -107.103 flat angles P-C4'-P energy: -74.627 tors. eta vs tors. theta energy: -16.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -800.951442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.951442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.951442 (E_RNA) where: Base-Base interactions energy: -373.871 where: short stacking energy: -211.556 Base-Backbone interact. energy: -2.358 local terms energy: -424.722556 where: bonds (distance) C4'-P energy: -126.844 bonds (distance) P-C4' energy: -144.510 flat angles C4'-P-C4' energy: -114.348 flat angles P-C4'-P energy: -67.734 tors. eta vs tors. theta energy: 28.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2930.965098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.965098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.965098 (E_RNA) where: Base-Base interactions energy: -2033.676 where: short stacking energy: -846.463 Base-Backbone interact. energy: -1.994 local terms energy: -895.295190 where: bonds (distance) C4'-P energy: -154.254 bonds (distance) P-C4' energy: -165.555 flat angles C4'-P-C4' energy: -188.831 flat angles P-C4'-P energy: -132.083 tors. eta vs tors. theta energy: -254.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2840.245009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.245009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.245009 (E_RNA) where: Base-Base interactions energy: -1979.369 where: short stacking energy: -792.889 Base-Backbone interact. energy: -6.161 local terms energy: -854.714836 where: bonds (distance) C4'-P energy: -155.782 bonds (distance) P-C4' energy: -151.633 flat angles C4'-P-C4' energy: -181.787 flat angles P-C4'-P energy: -131.395 tors. eta vs tors. theta energy: -234.119 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: 2 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2747.759790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.759790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.759790 (E_RNA) where: Base-Base interactions energy: -1879.158 where: short stacking energy: -795.184 Base-Backbone interact. energy: -2.312 local terms energy: -866.288940 where: bonds (distance) C4'-P energy: -158.504 bonds (distance) P-C4' energy: -157.271 flat angles C4'-P-C4' energy: -189.645 flat angles P-C4'-P energy: -126.543 tors. eta vs tors. theta energy: -234.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2582.305279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.305279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.305279 (E_RNA) where: Base-Base interactions energy: -1759.981 where: short stacking energy: -763.709 Base-Backbone interact. energy: -6.756 local terms energy: -815.568301 where: bonds (distance) C4'-P energy: -144.167 bonds (distance) P-C4' energy: -153.424 flat angles C4'-P-C4' energy: -175.261 flat angles P-C4'-P energy: -113.199 tors. eta vs tors. theta energy: -229.518 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: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2291.962023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.962023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.962023 (E_RNA) where: Base-Base interactions energy: -1589.377 where: short stacking energy: -648.543 Base-Backbone interact. energy: -1.754 local terms energy: -700.830578 where: bonds (distance) C4'-P energy: -129.311 bonds (distance) P-C4' energy: -146.739 flat angles C4'-P-C4' energy: -177.336 flat angles P-C4'-P energy: -75.006 tors. eta vs tors. theta energy: -172.438 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: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2072.626813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.626813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.626813 (E_RNA) where: Base-Base interactions energy: -1354.803 where: short stacking energy: -612.161 Base-Backbone interact. energy: 2.884 local terms energy: -720.708221 where: bonds (distance) C4'-P energy: -147.474 bonds (distance) P-C4' energy: -148.293 flat angles C4'-P-C4' energy: -162.866 flat angles P-C4'-P energy: -100.535 tors. eta vs tors. theta energy: -161.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1980.927172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.927172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.927172 (E_RNA) where: Base-Base interactions energy: -1310.230 where: short stacking energy: -577.125 Base-Backbone interact. energy: -2.535 local terms energy: -668.162004 where: bonds (distance) C4'-P energy: -137.162 bonds (distance) P-C4' energy: -137.772 flat angles C4'-P-C4' energy: -152.773 flat angles P-C4'-P energy: -83.609 tors. eta vs tors. theta energy: -156.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1254.237842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.237842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.237842 (E_RNA) where: Base-Base interactions energy: -741.873 where: short stacking energy: -381.433 Base-Backbone interact. energy: 0.022 local terms energy: -512.387397 where: bonds (distance) C4'-P energy: -140.419 bonds (distance) P-C4' energy: -138.829 flat angles C4'-P-C4' energy: -122.269 flat angles P-C4'-P energy: -61.862 tors. eta vs tors. theta energy: -49.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -892.954360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.954360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.954360 (E_RNA) where: Base-Base interactions energy: -434.475 where: short stacking energy: -249.026 Base-Backbone interact. energy: -1.004 local terms energy: -457.475797 where: bonds (distance) C4'-P energy: -141.338 bonds (distance) P-C4' energy: -137.737 flat angles C4'-P-C4' energy: -112.034 flat angles P-C4'-P energy: -73.214 tors. eta vs tors. theta energy: 6.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -788.807125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.807125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.807125 (E_RNA) where: Base-Base interactions energy: -390.160 where: short stacking energy: -225.452 Base-Backbone interact. energy: 0.495 local terms energy: -399.141322 where: bonds (distance) C4'-P energy: -97.907 bonds (distance) P-C4' energy: -131.333 flat angles C4'-P-C4' energy: -103.382 flat angles P-C4'-P energy: -67.849 tors. eta vs tors. theta energy: 1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2932.085123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.085123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.085123 (E_RNA) where: Base-Base interactions energy: -2057.989 where: short stacking energy: -833.915 Base-Backbone interact. energy: -5.878 local terms energy: -868.217826 where: bonds (distance) C4'-P energy: -152.879 bonds (distance) P-C4' energy: -169.287 flat angles C4'-P-C4' energy: -184.114 flat angles P-C4'-P energy: -118.004 tors. eta vs tors. theta energy: -243.933 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: 2, replica: 5 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2869.099795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.099795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.099795 (E_RNA) where: Base-Base interactions energy: -2011.796 where: short stacking energy: -814.770 Base-Backbone interact. energy: -1.415 local terms energy: -855.889230 where: bonds (distance) C4'-P energy: -168.389 bonds (distance) P-C4' energy: -161.758 flat angles C4'-P-C4' energy: -176.859 flat angles P-C4'-P energy: -118.354 tors. eta vs tors. theta energy: -230.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2731.626739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.626739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.626739 (E_RNA) where: Base-Base interactions energy: -1885.065 where: short stacking energy: -770.614 Base-Backbone interact. energy: -3.528 local terms energy: -843.033553 where: bonds (distance) C4'-P energy: -158.523 bonds (distance) P-C4' energy: -173.372 flat angles C4'-P-C4' energy: -184.703 flat angles P-C4'-P energy: -114.501 tors. eta vs tors. theta energy: -211.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2534.768450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.768450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.768450 (E_RNA) where: Base-Base interactions energy: -1724.858 where: short stacking energy: -751.091 Base-Backbone interact. energy: -0.119 local terms energy: -809.791390 where: bonds (distance) C4'-P energy: -146.928 bonds (distance) P-C4' energy: -149.038 flat angles C4'-P-C4' energy: -186.249 flat angles P-C4'-P energy: -103.449 tors. eta vs tors. theta energy: -224.128 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: 6 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2281.352538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.352538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.352538 (E_RNA) where: Base-Base interactions energy: -1549.943 where: short stacking energy: -660.555 Base-Backbone interact. energy: -0.545 local terms energy: -730.864706 where: bonds (distance) C4'-P energy: -150.168 bonds (distance) P-C4' energy: -139.864 flat angles C4'-P-C4' energy: -160.845 flat angles P-C4'-P energy: -110.622 tors. eta vs tors. theta energy: -169.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2079.825023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.825023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.825023 (E_RNA) where: Base-Base interactions energy: -1389.820 where: short stacking energy: -612.495 Base-Backbone interact. energy: 1.061 local terms energy: -691.066017 where: bonds (distance) C4'-P energy: -134.904 bonds (distance) P-C4' energy: -150.048 flat angles C4'-P-C4' energy: -159.847 flat angles P-C4'-P energy: -102.785 tors. eta vs tors. theta energy: -143.481 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: 8 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2158.787466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.787466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.787466 (E_RNA) where: Base-Base interactions energy: -1452.171 where: short stacking energy: -612.302 Base-Backbone interact. energy: -4.304 local terms energy: -702.312454 where: bonds (distance) C4'-P energy: -135.683 bonds (distance) P-C4' energy: -140.287 flat angles C4'-P-C4' energy: -147.545 flat angles P-C4'-P energy: -111.629 tors. eta vs tors. theta energy: -167.168 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: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1308.288086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.288086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.288086 (E_RNA) where: Base-Base interactions energy: -740.835 where: short stacking energy: -342.687 Base-Backbone interact. energy: -2.221 local terms energy: -565.232138 where: bonds (distance) C4'-P energy: -133.623 bonds (distance) P-C4' energy: -152.483 flat angles C4'-P-C4' energy: -135.410 flat angles P-C4'-P energy: -94.706 tors. eta vs tors. theta energy: -49.010 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: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -877.505159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.505159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.505159 (E_RNA) where: Base-Base interactions energy: -427.549 where: short stacking energy: -246.198 Base-Backbone interact. energy: -4.323 local terms energy: -445.632857 where: bonds (distance) C4'-P energy: -129.505 bonds (distance) P-C4' energy: -130.023 flat angles C4'-P-C4' energy: -144.678 flat angles P-C4'-P energy: -48.347 tors. eta vs tors. theta energy: 6.920 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: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -820.498391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.498391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.498391 (E_RNA) where: Base-Base interactions energy: -363.448 where: short stacking energy: -214.771 Base-Backbone interact. energy: -2.081 local terms energy: -454.968717 where: bonds (distance) C4'-P energy: -129.239 bonds (distance) P-C4' energy: -142.553 flat angles C4'-P-C4' energy: -131.757 flat angles P-C4'-P energy: -72.456 tors. eta vs tors. theta energy: 21.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2914.916065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.916065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.916065 (E_RNA) where: Base-Base interactions energy: -2025.551 where: short stacking energy: -853.738 Base-Backbone interact. energy: -3.257 local terms energy: -886.108247 where: bonds (distance) C4'-P energy: -145.761 bonds (distance) P-C4' energy: -168.819 flat angles C4'-P-C4' energy: -194.721 flat angles P-C4'-P energy: -121.813 tors. eta vs tors. theta energy: -254.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2868.063344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.063344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.063344 (E_RNA) where: Base-Base interactions energy: -1999.882 where: short stacking energy: -800.579 Base-Backbone interact. energy: -3.212 local terms energy: -864.969476 where: bonds (distance) C4'-P energy: -150.900 bonds (distance) P-C4' energy: -167.682 flat angles C4'-P-C4' energy: -178.605 flat angles P-C4'-P energy: -125.938 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: 3, replica: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2744.657172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.657172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.657172 (E_RNA) where: Base-Base interactions energy: -1887.687 where: short stacking energy: -778.222 Base-Backbone interact. energy: -4.484 local terms energy: -852.486998 where: bonds (distance) C4'-P energy: -161.933 bonds (distance) P-C4' energy: -158.441 flat angles C4'-P-C4' energy: -171.715 flat angles P-C4'-P energy: -125.823 tors. eta vs tors. theta energy: -234.575 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: 4, replica: 9 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2600.164319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.164319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.164319 (E_RNA) where: Base-Base interactions energy: -1763.485 where: short stacking energy: -740.688 Base-Backbone interact. energy: -2.390 local terms energy: -834.288959 where: bonds (distance) C4'-P energy: -150.008 bonds (distance) P-C4' energy: -145.790 flat angles C4'-P-C4' energy: -178.873 flat angles P-C4'-P energy: -132.889 tors. eta vs tors. theta energy: -226.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2357.207531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.207531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.207531 (E_RNA) where: Base-Base interactions energy: -1631.752 where: short stacking energy: -674.744 Base-Backbone interact. energy: -0.752 local terms energy: -724.703846 where: bonds (distance) C4'-P energy: -131.187 bonds (distance) P-C4' energy: -135.279 flat angles C4'-P-C4' energy: -170.093 flat angles P-C4'-P energy: -109.036 tors. eta vs tors. theta energy: -179.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2113.902421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.902421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.902421 (E_RNA) where: Base-Base interactions energy: -1420.312 where: short stacking energy: -625.699 Base-Backbone interact. energy: 5.189 local terms energy: -698.779066 where: bonds (distance) C4'-P energy: -158.410 bonds (distance) P-C4' energy: -127.171 flat angles C4'-P-C4' energy: -149.243 flat angles P-C4'-P energy: -110.717 tors. eta vs tors. theta energy: -153.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2086.163660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.163660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.163660 (E_RNA) where: Base-Base interactions energy: -1420.898 where: short stacking energy: -614.970 Base-Backbone interact. energy: -5.567 local terms energy: -659.698461 where: bonds (distance) C4'-P energy: -123.957 bonds (distance) P-C4' energy: -140.065 flat angles C4'-P-C4' energy: -149.666 flat angles P-C4'-P energy: -97.767 tors. eta vs tors. theta energy: -148.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1281.486806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.486806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.486806 (E_RNA) where: Base-Base interactions energy: -767.164 where: short stacking energy: -375.399 Base-Backbone interact. energy: -1.087 local terms energy: -513.235410 where: bonds (distance) C4'-P energy: -126.166 bonds (distance) P-C4' energy: -148.615 flat angles C4'-P-C4' energy: -114.085 flat angles P-C4'-P energy: -86.673 tors. eta vs tors. theta energy: -37.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -868.618324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.618324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.618324 (E_RNA) where: Base-Base interactions energy: -427.770 where: short stacking energy: -224.146 Base-Backbone interact. energy: -6.712 local terms energy: -434.136701 where: bonds (distance) C4'-P energy: -117.095 bonds (distance) P-C4' energy: -137.590 flat angles C4'-P-C4' energy: -103.791 flat angles P-C4'-P energy: -78.263 tors. eta vs tors. theta energy: 2.602 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: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -784.555804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.555804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.555804 (E_RNA) where: Base-Base interactions energy: -358.753 where: short stacking energy: -214.251 Base-Backbone interact. energy: -1.355 local terms energy: -424.447790 where: bonds (distance) C4'-P energy: -128.591 bonds (distance) P-C4' energy: -118.566 flat angles C4'-P-C4' energy: -104.293 flat angles P-C4'-P energy: -71.399 tors. eta vs tors. theta energy: -1.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2897.244560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.244560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.244560 (E_RNA) where: Base-Base interactions energy: -1994.818 where: short stacking energy: -833.488 Base-Backbone interact. energy: -3.362 local terms energy: -899.065027 where: bonds (distance) C4'-P energy: -155.378 bonds (distance) P-C4' energy: -177.287 flat angles C4'-P-C4' energy: -192.794 flat angles P-C4'-P energy: -123.205 tors. eta vs tors. theta energy: -250.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2870.879885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.879885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.879885 (E_RNA) where: Base-Base interactions energy: -2008.224 where: short stacking energy: -802.893 Base-Backbone interact. energy: -5.780 local terms energy: -856.876741 where: bonds (distance) C4'-P energy: -167.131 bonds (distance) P-C4' energy: -166.361 flat angles C4'-P-C4' energy: -178.961 flat angles P-C4'-P energy: -118.528 tors. eta vs tors. theta energy: -225.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2745.018157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.018157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.018157 (E_RNA) where: Base-Base interactions energy: -1922.972 where: short stacking energy: -797.044 Base-Backbone interact. energy: 2.160 local terms energy: -824.205953 where: bonds (distance) C4'-P energy: -162.165 bonds (distance) P-C4' energy: -148.970 flat angles C4'-P-C4' energy: -180.545 flat angles P-C4'-P energy: -101.284 tors. eta vs tors. theta energy: -231.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2593.983788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.983788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.983788 (E_RNA) where: Base-Base interactions energy: -1764.741 where: short stacking energy: -761.029 Base-Backbone interact. energy: -4.324 local terms energy: -824.918334 where: bonds (distance) C4'-P energy: -149.610 bonds (distance) P-C4' energy: -160.780 flat angles C4'-P-C4' energy: -164.266 flat angles P-C4'-P energy: -117.580 tors. eta vs tors. theta energy: -232.682 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: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2332.694011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.694011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.694011 (E_RNA) where: Base-Base interactions energy: -1601.761 where: short stacking energy: -639.029 Base-Backbone interact. energy: -2.374 local terms energy: -728.559164 where: bonds (distance) C4'-P energy: -132.636 bonds (distance) P-C4' energy: -146.837 flat angles C4'-P-C4' energy: -179.176 flat angles P-C4'-P energy: -99.445 tors. eta vs tors. theta energy: -170.465 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: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2145.234807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.234807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.234807 (E_RNA) where: Base-Base interactions energy: -1436.515 where: short stacking energy: -568.291 Base-Backbone interact. energy: -1.313 local terms energy: -707.406542 where: bonds (distance) C4'-P energy: -141.698 bonds (distance) P-C4' energy: -145.539 flat angles C4'-P-C4' energy: -170.752 flat angles P-C4'-P energy: -104.388 tors. eta vs tors. theta energy: -145.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1962.208510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.208510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.208510 (E_RNA) where: Base-Base interactions energy: -1302.333 where: short stacking energy: -505.168 Base-Backbone interact. energy: -3.392 local terms energy: -656.482931 where: bonds (distance) C4'-P energy: -142.408 bonds (distance) P-C4' energy: -132.914 flat angles C4'-P-C4' energy: -155.077 flat angles P-C4'-P energy: -91.405 tors. eta vs tors. theta energy: -134.678 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: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1309.146859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.146859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.146859 (E_RNA) where: Base-Base interactions energy: -804.239 where: short stacking energy: -410.079 Base-Backbone interact. energy: 1.495 local terms energy: -506.403475 where: bonds (distance) C4'-P energy: -131.725 bonds (distance) P-C4' energy: -126.276 flat angles C4'-P-C4' energy: -126.151 flat angles P-C4'-P energy: -68.999 tors. eta vs tors. theta energy: -53.252 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: 9, replica: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -813.868692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.868692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.868692 (E_RNA) where: Base-Base interactions energy: -337.297 where: short stacking energy: -221.063 Base-Backbone interact. energy: -0.904 local terms energy: -475.668045 where: bonds (distance) C4'-P energy: -128.339 bonds (distance) P-C4' energy: -153.405 flat angles C4'-P-C4' energy: -136.985 flat angles P-C4'-P energy: -72.212 tors. eta vs tors. theta energy: 15.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -826.454452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.454452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.454452 (E_RNA) where: Base-Base interactions energy: -382.578 where: short stacking energy: -238.998 Base-Backbone interact. energy: -2.107 local terms energy: -441.769804 where: bonds (distance) C4'-P energy: -125.385 bonds (distance) P-C4' energy: -128.029 flat angles C4'-P-C4' energy: -121.813 flat angles P-C4'-P energy: -59.234 tors. eta vs tors. theta energy: -7.309 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: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2908.139558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.139558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.139558 (E_RNA) where: Base-Base interactions energy: -2033.519 where: short stacking energy: -830.022 Base-Backbone interact. energy: -1.097 local terms energy: -873.522646 where: bonds (distance) C4'-P energy: -175.469 bonds (distance) P-C4' energy: -149.174 flat angles C4'-P-C4' energy: -172.111 flat angles P-C4'-P energy: -128.089 tors. eta vs tors. theta energy: -248.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2875.006671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.006671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.006671 (E_RNA) where: Base-Base interactions energy: -2006.256 where: short stacking energy: -815.592 Base-Backbone interact. energy: 2.103 local terms energy: -870.853199 where: bonds (distance) C4'-P energy: -155.984 bonds (distance) P-C4' energy: -158.657 flat angles C4'-P-C4' energy: -187.306 flat angles P-C4'-P energy: -135.839 tors. eta vs tors. theta energy: -233.067 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: 2 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2691.582673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.582673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.582673 (E_RNA) where: Base-Base interactions energy: -1862.486 where: short stacking energy: -768.799 Base-Backbone interact. energy: -3.043 local terms energy: -826.053733 where: bonds (distance) C4'-P energy: -147.385 bonds (distance) P-C4' energy: -151.699 flat angles C4'-P-C4' energy: -196.349 flat angles P-C4'-P energy: -115.417 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: 9 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2571.456166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.456166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.456166 (E_RNA) where: Base-Base interactions energy: -1762.598 where: short stacking energy: -783.406 Base-Backbone interact. energy: -3.053 local terms energy: -805.805096 where: bonds (distance) C4'-P energy: -131.332 bonds (distance) P-C4' energy: -140.385 flat angles C4'-P-C4' energy: -179.232 flat angles P-C4'-P energy: -118.993 tors. eta vs tors. theta energy: -235.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2381.202248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.202248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.202248 (E_RNA) where: Base-Base interactions energy: -1618.063 where: short stacking energy: -647.371 Base-Backbone interact. energy: -1.767 local terms energy: -761.372733 where: bonds (distance) C4'-P energy: -149.989 bonds (distance) P-C4' energy: -158.078 flat angles C4'-P-C4' energy: -162.102 flat angles P-C4'-P energy: -109.673 tors. eta vs tors. theta energy: -181.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2185.247997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.247997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.247997 (E_RNA) where: Base-Base interactions energy: -1489.545 where: short stacking energy: -644.498 Base-Backbone interact. energy: -0.560 local terms energy: -695.143538 where: bonds (distance) C4'-P energy: -122.480 bonds (distance) P-C4' energy: -153.766 flat angles C4'-P-C4' energy: -156.134 flat angles P-C4'-P energy: -92.599 tors. eta vs tors. theta energy: -170.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1925.135390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.135390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.135390 (E_RNA) where: Base-Base interactions energy: -1278.661 where: short stacking energy: -554.390 Base-Backbone interact. energy: 4.678 local terms energy: -651.153122 where: bonds (distance) C4'-P energy: -150.206 bonds (distance) P-C4' energy: -132.152 flat angles C4'-P-C4' energy: -148.029 flat angles P-C4'-P energy: -85.586 tors. eta vs tors. theta energy: -135.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1266.944869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.944869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.944869 (E_RNA) where: Base-Base interactions energy: -765.700 where: short stacking energy: -350.959 Base-Backbone interact. energy: -1.661 local terms energy: -499.583434 where: bonds (distance) C4'-P energy: -132.369 bonds (distance) P-C4' energy: -150.130 flat angles C4'-P-C4' energy: -110.488 flat angles P-C4'-P energy: -72.851 tors. eta vs tors. theta energy: -33.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -860.356207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.356207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.356207 (E_RNA) where: Base-Base interactions energy: -427.297 where: short stacking energy: -243.271 Base-Backbone interact. energy: 3.321 local terms energy: -436.380514 where: bonds (distance) C4'-P energy: -137.018 bonds (distance) P-C4' energy: -130.093 flat angles C4'-P-C4' energy: -109.736 flat angles P-C4'-P energy: -74.573 tors. eta vs tors. theta energy: 15.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -782.703591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.703591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.703591 (E_RNA) where: Base-Base interactions energy: -342.494 where: short stacking energy: -200.785 Base-Backbone interact. energy: 0.702 local terms energy: -440.911311 where: bonds (distance) C4'-P energy: -115.049 bonds (distance) P-C4' energy: -147.110 flat angles C4'-P-C4' energy: -115.676 flat angles P-C4'-P energy: -84.656 tors. eta vs tors. theta energy: 21.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2923.514826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.514826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.514826 (E_RNA) where: Base-Base interactions energy: -2025.006 where: short stacking energy: -853.759 Base-Backbone interact. energy: -4.422 local terms energy: -894.087263 where: bonds (distance) C4'-P energy: -157.077 bonds (distance) P-C4' energy: -158.079 flat angles C4'-P-C4' energy: -199.918 flat angles P-C4'-P energy: -123.685 tors. eta vs tors. theta energy: -255.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2907.894744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.894744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.894744 (E_RNA) where: Base-Base interactions energy: -2024.746 where: short stacking energy: -797.403 Base-Backbone interact. energy: -3.429 local terms energy: -879.719971 where: bonds (distance) C4'-P energy: -175.771 bonds (distance) P-C4' energy: -171.684 flat angles C4'-P-C4' energy: -176.846 flat angles P-C4'-P energy: -123.751 tors. eta vs tors. theta energy: -231.668 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: 2 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2750.387779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.387779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.387779 (E_RNA) where: Base-Base interactions energy: -1905.804 where: short stacking energy: -806.698 Base-Backbone interact. energy: -3.485 local terms energy: -841.098962 where: bonds (distance) C4'-P energy: -158.488 bonds (distance) P-C4' energy: -152.347 flat angles C4'-P-C4' energy: -180.825 flat angles P-C4'-P energy: -116.654 tors. eta vs tors. theta energy: -232.785 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: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2626.727277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.727277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.727277 (E_RNA) where: Base-Base interactions energy: -1836.552 where: short stacking energy: -794.505 Base-Backbone interact. energy: 4.599 local terms energy: -794.774858 where: bonds (distance) C4'-P energy: -121.149 bonds (distance) P-C4' energy: -146.930 flat angles C4'-P-C4' energy: -179.138 flat angles P-C4'-P energy: -111.039 tors. eta vs tors. theta energy: -236.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2386.584833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.584833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.584833 (E_RNA) where: Base-Base interactions energy: -1611.476 where: short stacking energy: -680.531 Base-Backbone interact. energy: -3.247 local terms energy: -771.861840 where: bonds (distance) C4'-P energy: -147.010 bonds (distance) P-C4' energy: -147.629 flat angles C4'-P-C4' energy: -175.685 flat angles P-C4'-P energy: -109.351 tors. eta vs tors. theta energy: -192.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2228.440690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.440690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.440690 (E_RNA) where: Base-Base interactions energy: -1527.216 where: short stacking energy: -629.678 Base-Backbone interact. energy: -7.667 local terms energy: -693.557534 where: bonds (distance) C4'-P energy: -124.256 bonds (distance) P-C4' energy: -126.792 flat angles C4'-P-C4' energy: -164.669 flat angles P-C4'-P energy: -102.593 tors. eta vs tors. theta energy: -175.248 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: 7, replica: 7 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1941.934808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.934808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.934808 (E_RNA) where: Base-Base interactions energy: -1262.442 where: short stacking energy: -515.738 Base-Backbone interact. energy: -1.527 local terms energy: -677.966537 where: bonds (distance) C4'-P energy: -131.159 bonds (distance) P-C4' energy: -150.951 flat angles C4'-P-C4' energy: -158.927 flat angles P-C4'-P energy: -108.297 tors. eta vs tors. theta energy: -128.633 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: 1 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1267.404667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.404667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.404667 (E_RNA) where: Base-Base interactions energy: -739.757 where: short stacking energy: -363.631 Base-Backbone interact. energy: -1.007 local terms energy: -526.640215 where: bonds (distance) C4'-P energy: -141.711 bonds (distance) P-C4' energy: -137.534 flat angles C4'-P-C4' energy: -149.271 flat angles P-C4'-P energy: -67.952 tors. eta vs tors. theta energy: -30.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -840.056930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.056930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.056930 (E_RNA) where: Base-Base interactions energy: -405.499 where: short stacking energy: -266.635 Base-Backbone interact. energy: -6.430 local terms energy: -428.127652 where: bonds (distance) C4'-P energy: -110.514 bonds (distance) P-C4' energy: -131.444 flat angles C4'-P-C4' energy: -109.922 flat angles P-C4'-P energy: -71.689 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -768.861372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.861372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.861372 (E_RNA) where: Base-Base interactions energy: -355.499 where: short stacking energy: -233.177 Base-Backbone interact. energy: 0.950 local terms energy: -414.312701 where: bonds (distance) C4'-P energy: -145.769 bonds (distance) P-C4' energy: -120.665 flat angles C4'-P-C4' energy: -110.008 flat angles P-C4'-P energy: -80.448 tors. eta vs tors. theta energy: 42.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2926.984250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.984250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.984250 (E_RNA) where: Base-Base interactions energy: -2025.784 where: short stacking energy: -852.209 Base-Backbone interact. energy: -5.008 local terms energy: -896.192370 where: bonds (distance) C4'-P energy: -169.318 bonds (distance) P-C4' energy: -163.685 flat angles C4'-P-C4' energy: -179.711 flat angles P-C4'-P energy: -123.585 tors. eta vs tors. theta energy: -259.893 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: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2874.408614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.408614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.408614 (E_RNA) where: Base-Base interactions energy: -1974.471 where: short stacking energy: -792.984 Base-Backbone interact. energy: 0.457 local terms energy: -900.394300 where: bonds (distance) C4'-P energy: -163.289 bonds (distance) P-C4' energy: -174.035 flat angles C4'-P-C4' energy: -203.691 flat angles P-C4'-P energy: -123.727 tors. eta vs tors. theta energy: -235.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2745.466530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.466530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.466530 (E_RNA) where: Base-Base interactions energy: -1904.857 where: short stacking energy: -765.556 Base-Backbone interact. energy: 0.074 local terms energy: -840.683466 where: bonds (distance) C4'-P energy: -155.724 bonds (distance) P-C4' energy: -152.967 flat angles C4'-P-C4' energy: -173.672 flat angles P-C4'-P energy: -121.228 tors. eta vs tors. theta energy: -237.093 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: 4, replica: 9 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2606.390732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.390732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.390732 (E_RNA) where: Base-Base interactions energy: -1802.726 where: short stacking energy: -771.718 Base-Backbone interact. energy: -3.363 local terms energy: -800.302515 where: bonds (distance) C4'-P energy: -142.760 bonds (distance) P-C4' energy: -146.469 flat angles C4'-P-C4' energy: -181.208 flat angles P-C4'-P energy: -92.704 tors. eta vs tors. theta energy: -237.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2395.439926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.439926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.439926 (E_RNA) where: Base-Base interactions energy: -1611.083 where: short stacking energy: -670.645 Base-Backbone interact. energy: -0.793 local terms energy: -783.564536 where: bonds (distance) C4'-P energy: -153.739 bonds (distance) P-C4' energy: -153.089 flat angles C4'-P-C4' energy: -172.152 flat angles P-C4'-P energy: -105.697 tors. eta vs tors. theta energy: -198.886 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: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2146.537145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.537145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.537145 (E_RNA) where: Base-Base interactions energy: -1457.707 where: short stacking energy: -602.699 Base-Backbone interact. energy: -4.030 local terms energy: -684.800551 where: bonds (distance) C4'-P energy: -124.656 bonds (distance) P-C4' energy: -161.712 flat angles C4'-P-C4' energy: -168.227 flat angles P-C4'-P energy: -79.496 tors. eta vs tors. theta energy: -150.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1974.881876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.881876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.881876 (E_RNA) where: Base-Base interactions energy: -1334.906 where: short stacking energy: -571.618 Base-Backbone interact. energy: 0.992 local terms energy: -640.967734 where: bonds (distance) C4'-P energy: -117.341 bonds (distance) P-C4' energy: -135.222 flat angles C4'-P-C4' energy: -145.936 flat angles P-C4'-P energy: -95.756 tors. eta vs tors. theta energy: -146.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1242.183541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.183541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.183541 (E_RNA) where: Base-Base interactions energy: -728.226 where: short stacking energy: -352.264 Base-Backbone interact. energy: -4.167 local terms energy: -509.790455 where: bonds (distance) C4'-P energy: -126.441 bonds (distance) P-C4' energy: -141.522 flat angles C4'-P-C4' energy: -136.548 flat angles P-C4'-P energy: -79.333 tors. eta vs tors. theta energy: -25.946 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: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -890.322271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.322271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.322271 (E_RNA) where: Base-Base interactions energy: -425.548 where: short stacking energy: -255.418 Base-Backbone interact. energy: 0.119 local terms energy: -464.893478 where: bonds (distance) C4'-P energy: -142.049 bonds (distance) P-C4' energy: -139.538 flat angles C4'-P-C4' energy: -131.635 flat angles P-C4'-P energy: -51.563 tors. eta vs tors. theta energy: -0.109 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: 398 Temperature: 1.350000 Total energy: -780.685744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.685744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.685744 (E_RNA) where: Base-Base interactions energy: -325.819 where: short stacking energy: -200.814 Base-Backbone interact. energy: -2.837 local terms energy: -452.029230 where: bonds (distance) C4'-P energy: -124.550 bonds (distance) P-C4' energy: -147.649 flat angles C4'-P-C4' energy: -118.821 flat angles P-C4'-P energy: -83.462 tors. eta vs tors. theta energy: 22.453 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: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2947.600851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.600851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.600851 (E_RNA) where: Base-Base interactions energy: -2055.482 where: short stacking energy: -844.655 Base-Backbone interact. energy: -3.375 local terms energy: -888.744254 where: bonds (distance) C4'-P energy: -149.619 bonds (distance) P-C4' energy: -173.127 flat angles C4'-P-C4' energy: -190.790 flat angles P-C4'-P energy: -120.437 tors. eta vs tors. theta energy: -254.771 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: 5 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2899.113778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.113778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.113778 (E_RNA) where: Base-Base interactions energy: -2006.547 where: short stacking energy: -797.635 Base-Backbone interact. energy: 3.305 local terms energy: -895.871771 where: bonds (distance) C4'-P energy: -171.826 bonds (distance) P-C4' energy: -172.563 flat angles C4'-P-C4' energy: -190.418 flat angles P-C4'-P energy: -117.077 tors. eta vs tors. theta energy: -243.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2731.468025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.468025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.468025 (E_RNA) where: Base-Base interactions energy: -1923.336 where: short stacking energy: -769.947 Base-Backbone interact. energy: -3.331 local terms energy: -804.801160 where: bonds (distance) C4'-P energy: -144.612 bonds (distance) P-C4' energy: -148.236 flat angles C4'-P-C4' energy: -175.825 flat angles P-C4'-P energy: -108.587 tors. eta vs tors. theta energy: -227.541 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: 9 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2594.760795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.760795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.760795 (E_RNA) where: Base-Base interactions energy: -1780.466 where: short stacking energy: -771.212 Base-Backbone interact. energy: -1.357 local terms energy: -812.938288 where: bonds (distance) C4'-P energy: -134.510 bonds (distance) P-C4' energy: -167.434 flat angles C4'-P-C4' energy: -169.431 flat angles P-C4'-P energy: -110.485 tors. eta vs tors. theta energy: -231.080 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: 6 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2399.988082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.988082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.988082 (E_RNA) where: Base-Base interactions energy: -1646.863 where: short stacking energy: -676.238 Base-Backbone interact. energy: -3.910 local terms energy: -749.214769 where: bonds (distance) C4'-P energy: -158.964 bonds (distance) P-C4' energy: -156.545 flat angles C4'-P-C4' energy: -159.770 flat angles P-C4'-P energy: -88.857 tors. eta vs tors. theta energy: -185.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2246.644445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.644445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.644445 (E_RNA) where: Base-Base interactions energy: -1515.457 where: short stacking energy: -653.617 Base-Backbone interact. energy: -0.779 local terms energy: -730.408372 where: bonds (distance) C4'-P energy: -147.125 bonds (distance) P-C4' energy: -133.465 flat angles C4'-P-C4' energy: -163.133 flat angles P-C4'-P energy: -99.558 tors. eta vs tors. theta energy: -187.127 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: 7, replica: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1947.255020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.255020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.255020 (E_RNA) where: Base-Base interactions energy: -1324.276 where: short stacking energy: -539.457 Base-Backbone interact. energy: -3.322 local terms energy: -619.657625 where: bonds (distance) C4'-P energy: -125.172 bonds (distance) P-C4' energy: -152.387 flat angles C4'-P-C4' energy: -131.501 flat angles P-C4'-P energy: -86.208 tors. eta vs tors. theta energy: -124.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1254.704201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.704201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.704201 (E_RNA) where: Base-Base interactions energy: -719.599 where: short stacking energy: -350.303 Base-Backbone interact. energy: -1.092 local terms energy: -534.012778 where: bonds (distance) C4'-P energy: -117.763 bonds (distance) P-C4' energy: -154.209 flat angles C4'-P-C4' energy: -137.210 flat angles P-C4'-P energy: -105.701 tors. eta vs tors. theta energy: -19.130 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: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -933.628889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.628889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.628889 (E_RNA) where: Base-Base interactions energy: -492.903 where: short stacking energy: -257.165 Base-Backbone interact. energy: 0.227 local terms energy: -440.952004 where: bonds (distance) C4'-P energy: -119.368 bonds (distance) P-C4' energy: -138.837 flat angles C4'-P-C4' energy: -106.542 flat angles P-C4'-P energy: -66.531 tors. eta vs tors. theta energy: -9.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -768.734385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.734385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.734385 (E_RNA) where: Base-Base interactions energy: -363.826 where: short stacking energy: -216.806 Base-Backbone interact. energy: 3.114 local terms energy: -408.022128 where: bonds (distance) C4'-P energy: -140.204 bonds (distance) P-C4' energy: -129.837 flat angles C4'-P-C4' energy: -108.460 flat angles P-C4'-P energy: -44.987 tors. eta vs tors. theta energy: 15.466 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: 4 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2928.548289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.548289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.548289 (E_RNA) where: Base-Base interactions energy: -2029.761 where: short stacking energy: -833.062 Base-Backbone interact. energy: -2.532 local terms energy: -896.255659 where: bonds (distance) C4'-P energy: -154.084 bonds (distance) P-C4' energy: -165.800 flat angles C4'-P-C4' energy: -191.093 flat angles P-C4'-P energy: -126.879 tors. eta vs tors. theta energy: -258.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2886.817226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.817226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.817226 (E_RNA) where: Base-Base interactions energy: -2006.417 where: short stacking energy: -795.604 Base-Backbone interact. energy: -1.084 local terms energy: -879.315450 where: bonds (distance) C4'-P energy: -156.390 bonds (distance) P-C4' energy: -159.013 flat angles C4'-P-C4' energy: -192.736 flat angles P-C4'-P energy: -126.697 tors. eta vs tors. theta energy: -244.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2728.897828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.897828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.897828 (E_RNA) where: Base-Base interactions energy: -1911.272 where: short stacking energy: -783.120 Base-Backbone interact. energy: -4.082 local terms energy: -813.544067 where: bonds (distance) C4'-P energy: -152.657 bonds (distance) P-C4' energy: -155.674 flat angles C4'-P-C4' energy: -167.978 flat angles P-C4'-P energy: -116.208 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: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2551.862435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.862435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.862435 (E_RNA) where: Base-Base interactions energy: -1753.211 where: short stacking energy: -750.991 Base-Backbone interact. energy: -1.050 local terms energy: -797.600640 where: bonds (distance) C4'-P energy: -125.244 bonds (distance) P-C4' energy: -152.320 flat angles C4'-P-C4' energy: -174.216 flat angles P-C4'-P energy: -119.840 tors. eta vs tors. theta energy: -225.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2405.505530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.505530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.505530 (E_RNA) where: Base-Base interactions energy: -1661.292 where: short stacking energy: -701.252 Base-Backbone interact. energy: -4.454 local terms energy: -739.759855 where: bonds (distance) C4'-P energy: -133.323 bonds (distance) P-C4' energy: -144.997 flat angles C4'-P-C4' energy: -172.117 flat angles P-C4'-P energy: -94.067 tors. eta vs tors. theta energy: -195.257 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: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2154.686408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.686408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.686408 (E_RNA) where: Base-Base interactions energy: -1478.707 where: short stacking energy: -600.852 Base-Backbone interact. energy: -3.815 local terms energy: -672.164534 where: bonds (distance) C4'-P energy: -137.853 bonds (distance) P-C4' energy: -134.200 flat angles C4'-P-C4' energy: -153.163 flat angles P-C4'-P energy: -76.589 tors. eta vs tors. theta energy: -170.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1962.850306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.850306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.850306 (E_RNA) where: Base-Base interactions energy: -1319.139 where: short stacking energy: -556.613 Base-Backbone interact. energy: -2.991 local terms energy: -640.720450 where: bonds (distance) C4'-P energy: -131.818 bonds (distance) P-C4' energy: -145.348 flat angles C4'-P-C4' energy: -132.455 flat angles P-C4'-P energy: -102.020 tors. eta vs tors. theta energy: -129.080 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: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1299.006638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.006638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.006638 (E_RNA) where: Base-Base interactions energy: -751.070 where: short stacking energy: -366.786 Base-Backbone interact. energy: -1.367 local terms energy: -546.568744 where: bonds (distance) C4'-P energy: -135.434 bonds (distance) P-C4' energy: -154.877 flat angles C4'-P-C4' energy: -134.513 flat angles P-C4'-P energy: -75.175 tors. eta vs tors. theta energy: -46.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -855.717614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.717614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.717614 (E_RNA) where: Base-Base interactions energy: -387.159 where: short stacking energy: -225.084 Base-Backbone interact. energy: 0.705 local terms energy: -469.263086 where: bonds (distance) C4'-P energy: -126.938 bonds (distance) P-C4' energy: -140.131 flat angles C4'-P-C4' energy: -120.014 flat angles P-C4'-P energy: -78.146 tors. eta vs tors. theta energy: -4.034 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: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -919.857660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.857660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.857660 (E_RNA) where: Base-Base interactions energy: -451.143 where: short stacking energy: -265.949 Base-Backbone interact. energy: -3.495 local terms energy: -465.220002 where: bonds (distance) C4'-P energy: -136.768 bonds (distance) P-C4' energy: -128.137 flat angles C4'-P-C4' energy: -118.442 flat angles P-C4'-P energy: -66.903 tors. eta vs tors. theta energy: -14.971 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: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2944.762179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.762179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.762179 (E_RNA) where: Base-Base interactions energy: -2046.501 where: short stacking energy: -834.437 Base-Backbone interact. energy: -7.894 local terms energy: -890.367150 where: bonds (distance) C4'-P energy: -167.720 bonds (distance) P-C4' energy: -169.826 flat angles C4'-P-C4' energy: -177.628 flat angles P-C4'-P energy: -126.312 tors. eta vs tors. theta energy: -248.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2908.967933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.967933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.967933 (E_RNA) where: Base-Base interactions energy: -1998.659 where: short stacking energy: -809.121 Base-Backbone interact. energy: -1.831 local terms energy: -908.477991 where: bonds (distance) C4'-P energy: -169.806 bonds (distance) P-C4' energy: -170.406 flat angles C4'-P-C4' energy: -190.526 flat angles P-C4'-P energy: -133.935 tors. eta vs tors. theta energy: -243.805 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: 2 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2728.556474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.556474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.556474 (E_RNA) where: Base-Base interactions energy: -1929.826 where: short stacking energy: -769.370 Base-Backbone interact. energy: -4.474 local terms energy: -794.257088 where: bonds (distance) C4'-P energy: -153.246 bonds (distance) P-C4' energy: -137.071 flat angles C4'-P-C4' energy: -174.561 flat angles P-C4'-P energy: -118.274 tors. eta vs tors. theta energy: -211.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2578.129479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.129479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.129479 (E_RNA) where: Base-Base interactions energy: -1730.779 where: short stacking energy: -778.118 Base-Backbone interact. energy: -2.354 local terms energy: -844.996816 where: bonds (distance) C4'-P energy: -155.196 bonds (distance) P-C4' energy: -157.759 flat angles C4'-P-C4' energy: -176.235 flat angles P-C4'-P energy: -115.756 tors. eta vs tors. theta energy: -240.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2378.127812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.127812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.127812 (E_RNA) where: Base-Base interactions energy: -1631.249 where: short stacking energy: -645.175 Base-Backbone interact. energy: -1.811 local terms energy: -745.068360 where: bonds (distance) C4'-P energy: -161.906 bonds (distance) P-C4' energy: -148.454 flat angles C4'-P-C4' energy: -153.837 flat angles P-C4'-P energy: -100.714 tors. eta vs tors. theta energy: -180.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2170.327923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.327923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.327923 (E_RNA) where: Base-Base interactions energy: -1471.292 where: short stacking energy: -622.302 Base-Backbone interact. energy: -5.794 local terms energy: -693.241929 where: bonds (distance) C4'-P energy: -131.440 bonds (distance) P-C4' energy: -131.489 flat angles C4'-P-C4' energy: -154.843 flat angles P-C4'-P energy: -102.144 tors. eta vs tors. theta energy: -173.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1912.357560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.357560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.357560 (E_RNA) where: Base-Base interactions energy: -1274.080 where: short stacking energy: -504.149 Base-Backbone interact. energy: -5.215 local terms energy: -633.062079 where: bonds (distance) C4'-P energy: -116.046 bonds (distance) P-C4' energy: -154.976 flat angles C4'-P-C4' energy: -141.528 flat angles P-C4'-P energy: -96.963 tors. eta vs tors. theta energy: -123.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1277.369084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.369084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.369084 (E_RNA) where: Base-Base interactions energy: -725.932 where: short stacking energy: -334.687 Base-Backbone interact. energy: -0.466 local terms energy: -550.971297 where: bonds (distance) C4'-P energy: -130.108 bonds (distance) P-C4' energy: -138.080 flat angles C4'-P-C4' energy: -140.465 flat angles P-C4'-P energy: -88.892 tors. eta vs tors. theta energy: -53.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -920.071054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.071054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.071054 (E_RNA) where: Base-Base interactions energy: -452.556 where: short stacking energy: -281.723 Base-Backbone interact. energy: -1.098 local terms energy: -466.416605 where: bonds (distance) C4'-P energy: -123.459 bonds (distance) P-C4' energy: -140.696 flat angles C4'-P-C4' energy: -111.725 flat angles P-C4'-P energy: -80.016 tors. eta vs tors. theta energy: -10.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -786.172657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.172657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.172657 (E_RNA) where: Base-Base interactions energy: -375.421 where: short stacking energy: -213.234 Base-Backbone interact. energy: 7.710 local terms energy: -418.462219 where: bonds (distance) C4'-P energy: -139.349 bonds (distance) P-C4' energy: -141.429 flat angles C4'-P-C4' energy: -101.990 flat angles P-C4'-P energy: -47.453 tors. eta vs tors. theta energy: 11.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2931.182477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.182477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.182477 (E_RNA) where: Base-Base interactions energy: -2053.822 where: short stacking energy: -825.728 Base-Backbone interact. energy: 0.524 local terms energy: -877.884833 where: bonds (distance) C4'-P energy: -153.127 bonds (distance) P-C4' energy: -156.521 flat angles C4'-P-C4' energy: -188.438 flat angles P-C4'-P energy: -133.008 tors. eta vs tors. theta energy: -246.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2861.157482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.157482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.157482 (E_RNA) where: Base-Base interactions energy: -1967.109 where: short stacking energy: -788.028 Base-Backbone interact. energy: -7.291 local terms energy: -886.757143 where: bonds (distance) C4'-P energy: -162.701 bonds (distance) P-C4' energy: -171.870 flat angles C4'-P-C4' energy: -196.345 flat angles P-C4'-P energy: -116.743 tors. eta vs tors. theta energy: -239.098 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: 2 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2694.858749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.858749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.858749 (E_RNA) where: Base-Base interactions energy: -1870.188 where: short stacking energy: -760.957 Base-Backbone interact. energy: 0.145 local terms energy: -824.816043 where: bonds (distance) C4'-P energy: -144.856 bonds (distance) P-C4' energy: -164.864 flat angles C4'-P-C4' energy: -175.683 flat angles P-C4'-P energy: -122.099 tors. eta vs tors. theta energy: -217.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2606.548143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.548143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.548143 (E_RNA) where: Base-Base interactions energy: -1792.925 where: short stacking energy: -772.315 Base-Backbone interact. energy: -6.215 local terms energy: -807.408267 where: bonds (distance) C4'-P energy: -144.278 bonds (distance) P-C4' energy: -156.435 flat angles C4'-P-C4' energy: -166.934 flat angles P-C4'-P energy: -112.287 tors. eta vs tors. theta energy: -227.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2380.034986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.034986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.034986 (E_RNA) where: Base-Base interactions energy: -1595.542 where: short stacking energy: -654.917 Base-Backbone interact. energy: -1.618 local terms energy: -782.875032 where: bonds (distance) C4'-P energy: -156.054 bonds (distance) P-C4' energy: -155.858 flat angles C4'-P-C4' energy: -189.580 flat angles P-C4'-P energy: -100.460 tors. eta vs tors. theta energy: -180.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2216.228031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.228031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.228031 (E_RNA) where: Base-Base interactions energy: -1501.725 where: short stacking energy: -651.695 Base-Backbone interact. energy: -4.069 local terms energy: -710.434201 where: bonds (distance) C4'-P energy: -141.849 bonds (distance) P-C4' energy: -128.821 flat angles C4'-P-C4' energy: -143.928 flat angles P-C4'-P energy: -108.095 tors. eta vs tors. theta energy: -187.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1884.143634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.143634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.143634 (E_RNA) where: Base-Base interactions energy: -1243.304 where: short stacking energy: -519.748 Base-Backbone interact. energy: -2.425 local terms energy: -638.414296 where: bonds (distance) C4'-P energy: -127.287 bonds (distance) P-C4' energy: -150.929 flat angles C4'-P-C4' energy: -166.960 flat angles P-C4'-P energy: -79.290 tors. eta vs tors. theta energy: -113.948 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: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1250.059303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.059303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.059303 (E_RNA) where: Base-Base interactions energy: -733.994 where: short stacking energy: -348.680 Base-Backbone interact. energy: -0.680 local terms energy: -515.385255 where: bonds (distance) C4'-P energy: -113.359 bonds (distance) P-C4' energy: -142.511 flat angles C4'-P-C4' energy: -130.820 flat angles P-C4'-P energy: -91.469 tors. eta vs tors. theta energy: -37.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -880.051043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.051043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.051043 (E_RNA) where: Base-Base interactions energy: -404.872 where: short stacking energy: -237.572 Base-Backbone interact. energy: 2.206 local terms energy: -477.385265 where: bonds (distance) C4'-P energy: -131.364 bonds (distance) P-C4' energy: -136.774 flat angles C4'-P-C4' energy: -124.060 flat angles P-C4'-P energy: -76.139 tors. eta vs tors. theta energy: -9.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -795.148483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.148483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.148483 (E_RNA) where: Base-Base interactions energy: -405.466 where: short stacking energy: -248.329 Base-Backbone interact. energy: -0.641 local terms energy: -389.041346 where: bonds (distance) C4'-P energy: -115.631 bonds (distance) P-C4' energy: -132.691 flat angles C4'-P-C4' energy: -86.930 flat angles P-C4'-P energy: -63.378 tors. eta vs tors. theta energy: 9.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2953.337752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.337752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.337752 (E_RNA) where: Base-Base interactions energy: -2058.090 where: short stacking energy: -853.389 Base-Backbone interact. energy: -8.220 local terms energy: -887.027458 where: bonds (distance) C4'-P energy: -146.046 bonds (distance) P-C4' energy: -176.694 flat angles C4'-P-C4' energy: -190.321 flat angles P-C4'-P energy: -122.352 tors. eta vs tors. theta energy: -251.615 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: 5 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2860.690366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.690366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.690366 (E_RNA) where: Base-Base interactions energy: -1995.331 where: short stacking energy: -812.309 Base-Backbone interact. energy: -2.558 local terms energy: -862.801147 where: bonds (distance) C4'-P energy: -153.693 bonds (distance) P-C4' energy: -162.624 flat angles C4'-P-C4' energy: -188.672 flat angles P-C4'-P energy: -123.360 tors. eta vs tors. theta energy: -234.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2756.633573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.633573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.633573 (E_RNA) where: Base-Base interactions energy: -1955.121 where: short stacking energy: -818.721 Base-Backbone interact. energy: -4.010 local terms energy: -797.502516 where: bonds (distance) C4'-P energy: -143.327 bonds (distance) P-C4' energy: -152.214 flat angles C4'-P-C4' energy: -175.754 flat angles P-C4'-P energy: -98.106 tors. eta vs tors. theta energy: -228.100 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: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2559.795184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.795184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.795184 (E_RNA) where: Base-Base interactions energy: -1747.344 where: short stacking energy: -754.222 Base-Backbone interact. energy: -0.408 local terms energy: -812.043616 where: bonds (distance) C4'-P energy: -140.826 bonds (distance) P-C4' energy: -158.225 flat angles C4'-P-C4' energy: -166.529 flat angles P-C4'-P energy: -112.904 tors. eta vs tors. theta energy: -233.559 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: 5, replica: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2348.538857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.538857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.538857 (E_RNA) where: Base-Base interactions energy: -1623.900 where: short stacking energy: -706.399 Base-Backbone interact. energy: 2.096 local terms energy: -726.734251 where: bonds (distance) C4'-P energy: -135.475 bonds (distance) P-C4' energy: -142.310 flat angles C4'-P-C4' energy: -162.138 flat angles P-C4'-P energy: -97.651 tors. eta vs tors. theta energy: -189.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2119.895641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.895641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.895641 (E_RNA) where: Base-Base interactions energy: -1413.439 where: short stacking energy: -613.661 Base-Backbone interact. energy: 2.020 local terms energy: -708.477220 where: bonds (distance) C4'-P energy: -147.040 bonds (distance) P-C4' energy: -151.181 flat angles C4'-P-C4' energy: -142.659 flat angles P-C4'-P energy: -106.897 tors. eta vs tors. theta energy: -160.701 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: 7 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1902.972838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.972838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.972838 (E_RNA) where: Base-Base interactions energy: -1242.049 where: short stacking energy: -544.049 Base-Backbone interact. energy: -2.278 local terms energy: -658.645807 where: bonds (distance) C4'-P energy: -135.013 bonds (distance) P-C4' energy: -143.597 flat angles C4'-P-C4' energy: -152.492 flat angles P-C4'-P energy: -98.005 tors. eta vs tors. theta energy: -129.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1255.682111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.682111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.682111 (E_RNA) where: Base-Base interactions energy: -737.804 where: short stacking energy: -362.256 Base-Backbone interact. energy: -1.184 local terms energy: -516.694127 where: bonds (distance) C4'-P energy: -119.486 bonds (distance) P-C4' energy: -148.087 flat angles C4'-P-C4' energy: -120.958 flat angles P-C4'-P energy: -78.222 tors. eta vs tors. theta energy: -49.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -824.029937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.029937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.029937 (E_RNA) where: Base-Base interactions energy: -349.649 where: short stacking energy: -217.592 Base-Backbone interact. energy: -2.598 local terms energy: -471.783432 where: bonds (distance) C4'-P energy: -138.772 bonds (distance) P-C4' energy: -132.314 flat angles C4'-P-C4' energy: -125.279 flat angles P-C4'-P energy: -73.634 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -867.150333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.150333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.150333 (E_RNA) where: Base-Base interactions energy: -411.819 where: short stacking energy: -241.512 Base-Backbone interact. energy: 0.626 local terms energy: -455.956642 where: bonds (distance) C4'-P energy: -133.329 bonds (distance) P-C4' energy: -145.210 flat angles C4'-P-C4' energy: -116.990 flat angles P-C4'-P energy: -71.090 tors. eta vs tors. theta energy: 10.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2958.802544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.802544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.802544 (E_RNA) where: Base-Base interactions energy: -2061.169 where: short stacking energy: -849.760 Base-Backbone interact. energy: -6.834 local terms energy: -890.799647 where: bonds (distance) C4'-P energy: -163.675 bonds (distance) P-C4' energy: -171.618 flat angles C4'-P-C4' energy: -186.426 flat angles P-C4'-P energy: -113.415 tors. eta vs tors. theta energy: -255.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2866.292919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.292919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.292919 (E_RNA) where: Base-Base interactions energy: -2007.501 where: short stacking energy: -814.412 Base-Backbone interact. energy: -3.787 local terms energy: -855.004907 where: bonds (distance) C4'-P energy: -168.031 bonds (distance) P-C4' energy: -155.621 flat angles C4'-P-C4' energy: -185.406 flat angles P-C4'-P energy: -106.144 tors. eta vs tors. theta energy: -239.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2761.257435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.257435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.257435 (E_RNA) where: Base-Base interactions energy: -1929.693 where: short stacking energy: -779.208 Base-Backbone interact. energy: -2.254 local terms energy: -829.310552 where: bonds (distance) C4'-P energy: -145.931 bonds (distance) P-C4' energy: -174.977 flat angles C4'-P-C4' energy: -159.131 flat angles P-C4'-P energy: -123.307 tors. eta vs tors. theta energy: -225.965 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: 9 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2556.829607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.829607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.829607 (E_RNA) where: Base-Base interactions energy: -1746.665 where: short stacking energy: -738.461 Base-Backbone interact. energy: -5.236 local terms energy: -804.928279 where: bonds (distance) C4'-P energy: -136.312 bonds (distance) P-C4' energy: -152.917 flat angles C4'-P-C4' energy: -171.089 flat angles P-C4'-P energy: -113.148 tors. eta vs tors. theta energy: -231.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2410.491067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.491067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.491067 (E_RNA) where: Base-Base interactions energy: -1657.948 where: short stacking energy: -677.391 Base-Backbone interact. energy: -3.937 local terms energy: -748.606902 where: bonds (distance) C4'-P energy: -148.297 bonds (distance) P-C4' energy: -154.742 flat angles C4'-P-C4' energy: -166.690 flat angles P-C4'-P energy: -80.108 tors. eta vs tors. theta energy: -198.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2174.372823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.372823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.372823 (E_RNA) where: Base-Base interactions energy: -1445.521 where: short stacking energy: -597.249 Base-Backbone interact. energy: -1.691 local terms energy: -727.161342 where: bonds (distance) C4'-P energy: -172.744 bonds (distance) P-C4' energy: -143.296 flat angles C4'-P-C4' energy: -162.930 flat angles P-C4'-P energy: -91.948 tors. eta vs tors. theta energy: -156.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1988.481071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.481071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.481071 (E_RNA) where: Base-Base interactions energy: -1316.852 where: short stacking energy: -576.021 Base-Backbone interact. energy: -1.390 local terms energy: -670.238660 where: bonds (distance) C4'-P energy: -139.347 bonds (distance) P-C4' energy: -152.257 flat angles C4'-P-C4' energy: -150.572 flat angles P-C4'-P energy: -85.777 tors. eta vs tors. theta energy: -142.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1280.512039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.512039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.512039 (E_RNA) where: Base-Base interactions energy: -755.679 where: short stacking energy: -347.967 Base-Backbone interact. energy: -2.728 local terms energy: -522.104501 where: bonds (distance) C4'-P energy: -130.837 bonds (distance) P-C4' energy: -133.558 flat angles C4'-P-C4' energy: -113.545 flat angles P-C4'-P energy: -83.343 tors. eta vs tors. theta energy: -60.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -846.226842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.226842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.226842 (E_RNA) where: Base-Base interactions energy: -410.157 where: short stacking energy: -259.926 Base-Backbone interact. energy: 3.808 local terms energy: -439.878060 where: bonds (distance) C4'-P energy: -135.719 bonds (distance) P-C4' energy: -126.827 flat angles C4'-P-C4' energy: -119.889 flat angles P-C4'-P energy: -60.027 tors. eta vs tors. theta energy: 2.584 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: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -775.620544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.620544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.620544 (E_RNA) where: Base-Base interactions energy: -353.449 where: short stacking energy: -205.265 Base-Backbone interact. energy: -5.557 local terms energy: -416.614026 where: bonds (distance) C4'-P energy: -131.539 bonds (distance) P-C4' energy: -132.544 flat angles C4'-P-C4' energy: -89.600 flat angles P-C4'-P energy: -92.006 tors. eta vs tors. theta energy: 29.075 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: 4 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2965.344764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.344764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.344764 (E_RNA) where: Base-Base interactions energy: -2057.953 where: short stacking energy: -878.778 Base-Backbone interact. energy: -3.601 local terms energy: -903.791216 where: bonds (distance) C4'-P energy: -153.904 bonds (distance) P-C4' energy: -160.044 flat angles C4'-P-C4' energy: -200.551 flat angles P-C4'-P energy: -132.568 tors. eta vs tors. theta energy: -256.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2856.510863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.510863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.510863 (E_RNA) where: Base-Base interactions energy: -1975.422 where: short stacking energy: -795.809 Base-Backbone interact. energy: -4.139 local terms energy: -876.949880 where: bonds (distance) C4'-P energy: -153.726 bonds (distance) P-C4' energy: -167.716 flat angles C4'-P-C4' energy: -182.783 flat angles P-C4'-P energy: -129.024 tors. eta vs tors. theta energy: -243.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2776.259005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.259005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.259005 (E_RNA) where: Base-Base interactions energy: -1932.060 where: short stacking energy: -813.915 Base-Backbone interact. energy: 1.117 local terms energy: -845.315498 where: bonds (distance) C4'-P energy: -157.979 bonds (distance) P-C4' energy: -156.695 flat angles C4'-P-C4' energy: -181.577 flat angles P-C4'-P energy: -127.290 tors. eta vs tors. theta energy: -221.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2604.897379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.897379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.897379 (E_RNA) where: Base-Base interactions energy: -1768.978 where: short stacking energy: -765.553 Base-Backbone interact. energy: -2.351 local terms energy: -833.568735 where: bonds (distance) C4'-P energy: -151.013 bonds (distance) P-C4' energy: -148.651 flat angles C4'-P-C4' energy: -177.032 flat angles P-C4'-P energy: -119.758 tors. eta vs tors. theta energy: -237.114 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: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2386.974194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.974194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.974194 (E_RNA) where: Base-Base interactions energy: -1637.496 where: short stacking energy: -667.698 Base-Backbone interact. energy: -0.038 local terms energy: -749.441106 where: bonds (distance) C4'-P energy: -151.549 bonds (distance) P-C4' energy: -147.917 flat angles C4'-P-C4' energy: -166.533 flat angles P-C4'-P energy: -99.343 tors. eta vs tors. theta energy: -184.099 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: 6, replica: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2146.196406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.196406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.196406 (E_RNA) where: Base-Base interactions energy: -1450.874 where: short stacking energy: -613.808 Base-Backbone interact. energy: 0.680 local terms energy: -696.002062 where: bonds (distance) C4'-P energy: -144.627 bonds (distance) P-C4' energy: -120.508 flat angles C4'-P-C4' energy: -168.760 flat angles P-C4'-P energy: -100.366 tors. eta vs tors. theta energy: -161.741 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: 7, replica: 7 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1922.192514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.192514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.192514 (E_RNA) where: Base-Base interactions energy: -1276.496 where: short stacking energy: -545.837 Base-Backbone interact. energy: 3.060 local terms energy: -648.756813 where: bonds (distance) C4'-P energy: -122.189 bonds (distance) P-C4' energy: -139.711 flat angles C4'-P-C4' energy: -153.016 flat angles P-C4'-P energy: -97.734 tors. eta vs tors. theta energy: -136.107 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: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1241.768797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.768797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.768797 (E_RNA) where: Base-Base interactions energy: -738.851 where: short stacking energy: -357.366 Base-Backbone interact. energy: 2.745 local terms energy: -505.662775 where: bonds (distance) C4'-P energy: -121.268 bonds (distance) P-C4' energy: -128.370 flat angles C4'-P-C4' energy: -138.136 flat angles P-C4'-P energy: -68.616 tors. eta vs tors. theta energy: -49.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -875.258477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.258477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.258477 (E_RNA) where: Base-Base interactions energy: -405.984 where: short stacking energy: -262.760 Base-Backbone interact. energy: 4.274 local terms energy: -473.548784 where: bonds (distance) C4'-P energy: -139.577 bonds (distance) P-C4' energy: -132.334 flat angles C4'-P-C4' energy: -114.544 flat angles P-C4'-P energy: -74.839 tors. eta vs tors. theta energy: -12.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -818.292394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.292394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.292394 (E_RNA) where: Base-Base interactions energy: -369.151 where: short stacking energy: -221.455 Base-Backbone interact. energy: -1.769 local terms energy: -447.372445 where: bonds (distance) C4'-P energy: -114.091 bonds (distance) P-C4' energy: -141.586 flat angles C4'-P-C4' energy: -120.599 flat angles P-C4'-P energy: -66.620 tors. eta vs tors. theta energy: -4.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2952.565840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.565840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.565840 (E_RNA) where: Base-Base interactions energy: -2060.926 where: short stacking energy: -843.164 Base-Backbone interact. energy: -0.786 local terms energy: -890.853970 where: bonds (distance) C4'-P energy: -138.701 bonds (distance) P-C4' energy: -181.814 flat angles C4'-P-C4' energy: -193.598 flat angles P-C4'-P energy: -123.839 tors. eta vs tors. theta energy: -252.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2921.365474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.365474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.365474 (E_RNA) where: Base-Base interactions energy: -2007.527 where: short stacking energy: -847.806 Base-Backbone interact. energy: -3.488 local terms energy: -910.351049 where: bonds (distance) C4'-P energy: -167.203 bonds (distance) P-C4' energy: -164.958 flat angles C4'-P-C4' energy: -191.512 flat angles P-C4'-P energy: -130.000 tors. eta vs tors. theta energy: -256.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2747.156793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.156793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.156793 (E_RNA) where: Base-Base interactions energy: -1893.528 where: short stacking energy: -807.486 Base-Backbone interact. energy: -2.967 local terms energy: -850.661781 where: bonds (distance) C4'-P energy: -163.141 bonds (distance) P-C4' energy: -154.444 flat angles C4'-P-C4' energy: -184.473 flat angles P-C4'-P energy: -132.632 tors. eta vs tors. theta energy: -215.971 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: 9 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2624.615836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.615836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.615836 (E_RNA) where: Base-Base interactions energy: -1817.027 where: short stacking energy: -751.844 Base-Backbone interact. energy: -1.051 local terms energy: -806.537806 where: bonds (distance) C4'-P energy: -128.182 bonds (distance) P-C4' energy: -149.518 flat angles C4'-P-C4' energy: -173.327 flat angles P-C4'-P energy: -126.297 tors. eta vs tors. theta energy: -229.213 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: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2369.285597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.285597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.285597 (E_RNA) where: Base-Base interactions energy: -1619.173 where: short stacking energy: -683.430 Base-Backbone interact. energy: 5.643 local terms energy: -755.755098 where: bonds (distance) C4'-P energy: -138.754 bonds (distance) P-C4' energy: -153.752 flat angles C4'-P-C4' energy: -167.777 flat angles P-C4'-P energy: -114.402 tors. eta vs tors. theta energy: -181.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2111.830718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.830718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.830718 (E_RNA) where: Base-Base interactions energy: -1414.990 where: short stacking energy: -607.356 Base-Backbone interact. energy: -1.019 local terms energy: -695.821378 where: bonds (distance) C4'-P energy: -136.067 bonds (distance) P-C4' energy: -147.504 flat angles C4'-P-C4' energy: -146.977 flat angles P-C4'-P energy: -97.856 tors. eta vs tors. theta energy: -167.417 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: 7, replica: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1881.659707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.659707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.659707 (E_RNA) where: Base-Base interactions energy: -1249.930 where: short stacking energy: -523.894 Base-Backbone interact. energy: -0.638 local terms energy: -631.091454 where: bonds (distance) C4'-P energy: -116.077 bonds (distance) P-C4' energy: -142.973 flat angles C4'-P-C4' energy: -144.633 flat angles P-C4'-P energy: -97.545 tors. eta vs tors. theta energy: -129.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1298.743818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.743818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.743818 (E_RNA) where: Base-Base interactions energy: -813.663 where: short stacking energy: -403.766 Base-Backbone interact. energy: 1.953 local terms energy: -487.033726 where: bonds (distance) C4'-P energy: -99.616 bonds (distance) P-C4' energy: -139.331 flat angles C4'-P-C4' energy: -133.385 flat angles P-C4'-P energy: -67.336 tors. eta vs tors. theta energy: -47.366 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: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -891.395989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.395989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.395989 (E_RNA) where: Base-Base interactions energy: -426.022 where: short stacking energy: -249.282 Base-Backbone interact. energy: 1.979 local terms energy: -467.352860 where: bonds (distance) C4'-P energy: -130.303 bonds (distance) P-C4' energy: -145.212 flat angles C4'-P-C4' energy: -110.987 flat angles P-C4'-P energy: -93.084 tors. eta vs tors. theta energy: 12.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -815.656879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.656879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.656879 (E_RNA) where: Base-Base interactions energy: -404.623 where: short stacking energy: -215.245 Base-Backbone interact. energy: -1.901 local terms energy: -409.133396 where: bonds (distance) C4'-P energy: -103.409 bonds (distance) P-C4' energy: -115.354 flat angles C4'-P-C4' energy: -118.968 flat angles P-C4'-P energy: -80.931 tors. eta vs tors. theta energy: 9.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2960.865725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.865725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.865725 (E_RNA) where: Base-Base interactions energy: -2067.532 where: short stacking energy: -828.387 Base-Backbone interact. energy: -0.764 local terms energy: -892.569198 where: bonds (distance) C4'-P energy: -145.578 bonds (distance) P-C4' energy: -181.467 flat angles C4'-P-C4' energy: -192.210 flat angles P-C4'-P energy: -126.908 tors. eta vs tors. theta energy: -246.407 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: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2873.545557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.545557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.545557 (E_RNA) where: Base-Base interactions energy: -2001.573 where: short stacking energy: -837.706 Base-Backbone interact. energy: -5.377 local terms energy: -866.596162 where: bonds (distance) C4'-P energy: -157.867 bonds (distance) P-C4' energy: -173.283 flat angles C4'-P-C4' energy: -170.301 flat angles P-C4'-P energy: -124.334 tors. eta vs tors. theta energy: -240.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2727.467572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.467572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.467572 (E_RNA) where: Base-Base interactions energy: -1909.797 where: short stacking energy: -796.953 Base-Backbone interact. energy: -2.898 local terms energy: -814.772731 where: bonds (distance) C4'-P energy: -144.038 bonds (distance) P-C4' energy: -167.091 flat angles C4'-P-C4' energy: -173.112 flat angles P-C4'-P energy: -105.809 tors. eta vs tors. theta energy: -224.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2571.449993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.449993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.449993 (E_RNA) where: Base-Base interactions energy: -1763.480 where: short stacking energy: -776.231 Base-Backbone interact. energy: -4.794 local terms energy: -803.175537 where: bonds (distance) C4'-P energy: -128.128 bonds (distance) P-C4' energy: -163.216 flat angles C4'-P-C4' energy: -185.531 flat angles P-C4'-P energy: -95.093 tors. eta vs tors. theta energy: -231.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2486.442736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.442736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.442736 (E_RNA) where: Base-Base interactions energy: -1704.033 where: short stacking energy: -721.858 Base-Backbone interact. energy: 0.820 local terms energy: -783.229342 where: bonds (distance) C4'-P energy: -138.340 bonds (distance) P-C4' energy: -152.496 flat angles C4'-P-C4' energy: -173.287 flat angles P-C4'-P energy: -107.481 tors. eta vs tors. theta energy: -211.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2089.660777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.660777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.660777 (E_RNA) where: Base-Base interactions energy: -1367.712 where: short stacking energy: -544.831 Base-Backbone interact. energy: 1.663 local terms energy: -723.612078 where: bonds (distance) C4'-P energy: -166.194 bonds (distance) P-C4' energy: -155.590 flat angles C4'-P-C4' energy: -154.744 flat angles P-C4'-P energy: -110.397 tors. eta vs tors. theta energy: -136.687 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: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1903.360514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.360514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.360514 (E_RNA) where: Base-Base interactions energy: -1243.823 where: short stacking energy: -539.815 Base-Backbone interact. energy: -3.117 local terms energy: -656.420777 where: bonds (distance) C4'-P energy: -151.165 bonds (distance) P-C4' energy: -129.425 flat angles C4'-P-C4' energy: -150.866 flat angles P-C4'-P energy: -85.781 tors. eta vs tors. theta energy: -139.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1339.322210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.322210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.322210 (E_RNA) where: Base-Base interactions energy: -763.550 where: short stacking energy: -374.570 Base-Backbone interact. energy: -1.686 local terms energy: -574.086901 where: bonds (distance) C4'-P energy: -129.050 bonds (distance) P-C4' energy: -153.402 flat angles C4'-P-C4' energy: -160.759 flat angles P-C4'-P energy: -85.407 tors. eta vs tors. theta energy: -45.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -913.702318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.702318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.702318 (E_RNA) where: Base-Base interactions energy: -456.064 where: short stacking energy: -273.628 Base-Backbone interact. energy: 6.553 local terms energy: -464.191378 where: bonds (distance) C4'-P energy: -128.852 bonds (distance) P-C4' energy: -143.849 flat angles C4'-P-C4' energy: -122.259 flat angles P-C4'-P energy: -60.618 tors. eta vs tors. theta energy: -8.612 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: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -768.351616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.351616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.351616 (E_RNA) where: Base-Base interactions energy: -364.885 where: short stacking energy: -229.733 Base-Backbone interact. energy: 3.297 local terms energy: -406.763091 where: bonds (distance) C4'-P energy: -124.259 bonds (distance) P-C4' energy: -121.986 flat angles C4'-P-C4' energy: -119.560 flat angles P-C4'-P energy: -57.132 tors. eta vs tors. theta energy: 16.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2948.767621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.767621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.767621 (E_RNA) where: Base-Base interactions energy: -2061.358 where: short stacking energy: -840.361 Base-Backbone interact. energy: 1.333 local terms energy: -888.742818 where: bonds (distance) C4'-P energy: -161.227 bonds (distance) P-C4' energy: -171.478 flat angles C4'-P-C4' energy: -187.088 flat angles P-C4'-P energy: -129.539 tors. eta vs tors. theta energy: -239.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2882.805782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.805782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.805782 (E_RNA) where: Base-Base interactions energy: -1997.874 where: short stacking energy: -847.865 Base-Backbone interact. energy: -5.068 local terms energy: -879.864085 where: bonds (distance) C4'-P energy: -176.107 bonds (distance) P-C4' energy: -150.708 flat angles C4'-P-C4' energy: -178.059 flat angles P-C4'-P energy: -118.525 tors. eta vs tors. theta energy: -256.465 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: 2 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2763.013245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.013245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.013245 (E_RNA) where: Base-Base interactions energy: -1910.173 where: short stacking energy: -804.949 Base-Backbone interact. energy: 1.366 local terms energy: -854.205901 where: bonds (distance) C4'-P energy: -165.695 bonds (distance) P-C4' energy: -164.939 flat angles C4'-P-C4' energy: -177.712 flat angles P-C4'-P energy: -116.135 tors. eta vs tors. theta energy: -229.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2600.562340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.562340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.562340 (E_RNA) where: Base-Base interactions energy: -1775.275 where: short stacking energy: -789.236 Base-Backbone interact. energy: -3.162 local terms energy: -822.125645 where: bonds (distance) C4'-P energy: -137.322 bonds (distance) P-C4' energy: -164.244 flat angles C4'-P-C4' energy: -176.306 flat angles P-C4'-P energy: -101.381 tors. eta vs tors. theta energy: -242.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2468.253614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.253614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.253614 (E_RNA) where: Base-Base interactions energy: -1708.802 where: short stacking energy: -709.033 Base-Backbone interact. energy: -0.952 local terms energy: -758.499675 where: bonds (distance) C4'-P energy: -149.082 bonds (distance) P-C4' energy: -125.196 flat angles C4'-P-C4' energy: -178.599 flat angles P-C4'-P energy: -110.096 tors. eta vs tors. theta energy: -195.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2096.335326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.335326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.335326 (E_RNA) where: Base-Base interactions energy: -1413.724 where: short stacking energy: -583.444 Base-Backbone interact. energy: 1.743 local terms energy: -684.354447 where: bonds (distance) C4'-P energy: -133.258 bonds (distance) P-C4' energy: -154.702 flat angles C4'-P-C4' energy: -138.747 flat angles P-C4'-P energy: -112.531 tors. eta vs tors. theta energy: -145.118 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: 7, replica: 7 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1840.058206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.058206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.058206 (E_RNA) where: Base-Base interactions energy: -1210.033 where: short stacking energy: -530.892 Base-Backbone interact. energy: -3.060 local terms energy: -626.965149 where: bonds (distance) C4'-P energy: -122.463 bonds (distance) P-C4' energy: -141.402 flat angles C4'-P-C4' energy: -149.049 flat angles P-C4'-P energy: -82.914 tors. eta vs tors. theta energy: -131.137 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: 1 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1303.802095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.802095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.802095 (E_RNA) where: Base-Base interactions energy: -783.873 where: short stacking energy: -386.415 Base-Backbone interact. energy: 5.827 local terms energy: -525.755567 where: bonds (distance) C4'-P energy: -136.465 bonds (distance) P-C4' energy: -130.452 flat angles C4'-P-C4' energy: -144.901 flat angles P-C4'-P energy: -81.346 tors. eta vs tors. theta energy: -32.591 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: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -954.706613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.706613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.706613 (E_RNA) where: Base-Base interactions energy: -485.269 where: short stacking energy: -281.572 Base-Backbone interact. energy: -4.737 local terms energy: -464.700874 where: bonds (distance) C4'-P energy: -120.293 bonds (distance) P-C4' energy: -135.570 flat angles C4'-P-C4' energy: -117.479 flat angles P-C4'-P energy: -75.321 tors. eta vs tors. theta energy: -16.039 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: 10, replica: 3 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -839.227803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.227803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.227803 (E_RNA) where: Base-Base interactions energy: -412.569 where: short stacking energy: -246.064 Base-Backbone interact. energy: -0.855 local terms energy: -425.803748 where: bonds (distance) C4'-P energy: -121.415 bonds (distance) P-C4' energy: -145.210 flat angles C4'-P-C4' energy: -109.172 flat angles P-C4'-P energy: -63.254 tors. eta vs tors. theta energy: 13.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2953.458294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.458294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.458294 (E_RNA) where: Base-Base interactions energy: -2045.009 where: short stacking energy: -843.377 Base-Backbone interact. energy: -2.549 local terms energy: -905.900193 where: bonds (distance) C4'-P energy: -163.746 bonds (distance) P-C4' energy: -165.466 flat angles C4'-P-C4' energy: -177.659 flat angles P-C4'-P energy: -150.568 tors. eta vs tors. theta energy: -248.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2877.837347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.837347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.837347 (E_RNA) where: Base-Base interactions energy: -1983.821 where: short stacking energy: -840.653 Base-Backbone interact. energy: -3.562 local terms energy: -890.454546 where: bonds (distance) C4'-P energy: -166.429 bonds (distance) P-C4' energy: -169.156 flat angles C4'-P-C4' energy: -188.418 flat angles P-C4'-P energy: -129.113 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: 2 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2783.126204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.126204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.126204 (E_RNA) where: Base-Base interactions energy: -1933.733 where: short stacking energy: -818.111 Base-Backbone interact. energy: -0.194 local terms energy: -849.199115 where: bonds (distance) C4'-P energy: -152.843 bonds (distance) P-C4' energy: -149.620 flat angles C4'-P-C4' energy: -189.934 flat angles P-C4'-P energy: -119.912 tors. eta vs tors. theta energy: -236.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2591.166233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.166233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.166233 (E_RNA) where: Base-Base interactions energy: -1762.146 where: short stacking energy: -761.446 Base-Backbone interact. energy: -2.961 local terms energy: -826.059765 where: bonds (distance) C4'-P energy: -171.801 bonds (distance) P-C4' energy: -151.407 flat angles C4'-P-C4' energy: -170.930 flat angles P-C4'-P energy: -108.143 tors. eta vs tors. theta energy: -223.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2449.885264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.885264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.885264 (E_RNA) where: Base-Base interactions energy: -1716.386 where: short stacking energy: -712.335 Base-Backbone interact. energy: 3.951 local terms energy: -737.450275 where: bonds (distance) C4'-P energy: -128.927 bonds (distance) P-C4' energy: -146.208 flat angles C4'-P-C4' energy: -166.455 flat angles P-C4'-P energy: -113.643 tors. eta vs tors. theta energy: -182.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2192.959369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.959369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.959369 (E_RNA) where: Base-Base interactions energy: -1479.525 where: short stacking energy: -618.600 Base-Backbone interact. energy: -2.153 local terms energy: -711.281344 where: bonds (distance) C4'-P energy: -146.387 bonds (distance) P-C4' energy: -148.634 flat angles C4'-P-C4' energy: -145.605 flat angles P-C4'-P energy: -104.199 tors. eta vs tors. theta energy: -166.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1764.799664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.799664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.799664 (E_RNA) where: Base-Base interactions energy: -1116.008 where: short stacking energy: -480.134 Base-Backbone interact. energy: -4.248 local terms energy: -644.543353 where: bonds (distance) C4'-P energy: -147.721 bonds (distance) P-C4' energy: -144.504 flat angles C4'-P-C4' energy: -152.988 flat angles P-C4'-P energy: -92.241 tors. eta vs tors. theta energy: -107.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1330.839268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.839268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.839268 (E_RNA) where: Base-Base interactions energy: -789.257 where: short stacking energy: -373.260 Base-Backbone interact. energy: -3.680 local terms energy: -537.903090 where: bonds (distance) C4'-P energy: -118.862 bonds (distance) P-C4' energy: -147.157 flat angles C4'-P-C4' energy: -133.580 flat angles P-C4'-P energy: -89.651 tors. eta vs tors. theta energy: -48.652 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: 9, replica: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -969.444531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.444531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.444531 (E_RNA) where: Base-Base interactions energy: -480.567 where: short stacking energy: -262.685 Base-Backbone interact. energy: 4.110 local terms energy: -492.986633 where: bonds (distance) C4'-P energy: -153.876 bonds (distance) P-C4' energy: -132.034 flat angles C4'-P-C4' energy: -123.396 flat angles P-C4'-P energy: -82.382 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -809.825144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.825144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.825144 (E_RNA) where: Base-Base interactions energy: -389.173 where: short stacking energy: -234.229 Base-Backbone interact. energy: 7.575 local terms energy: -428.227299 where: bonds (distance) C4'-P energy: -117.990 bonds (distance) P-C4' energy: -147.592 flat angles C4'-P-C4' energy: -127.436 flat angles P-C4'-P energy: -40.435 tors. eta vs tors. theta energy: 5.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2938.217929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.217929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.217929 (E_RNA) where: Base-Base interactions energy: -2042.962 where: short stacking energy: -827.967 Base-Backbone interact. energy: -3.583 local terms energy: -891.672168 where: bonds (distance) C4'-P energy: -167.533 bonds (distance) P-C4' energy: -168.261 flat angles C4'-P-C4' energy: -188.016 flat angles P-C4'-P energy: -130.791 tors. eta vs tors. theta energy: -237.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2845.225643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.225643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.225643 (E_RNA) where: Base-Base interactions energy: -1961.289 where: short stacking energy: -844.390 Base-Backbone interact. energy: 1.346 local terms energy: -885.282773 where: bonds (distance) C4'-P energy: -166.656 bonds (distance) P-C4' energy: -162.354 flat angles C4'-P-C4' energy: -190.267 flat angles P-C4'-P energy: -124.016 tors. eta vs tors. theta energy: -241.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2804.043168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.043168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.043168 (E_RNA) where: Base-Base interactions energy: -1962.862 where: short stacking energy: -825.584 Base-Backbone interact. energy: -4.821 local terms energy: -836.359467 where: bonds (distance) C4'-P energy: -129.525 bonds (distance) P-C4' energy: -152.426 flat angles C4'-P-C4' energy: -187.437 flat angles P-C4'-P energy: -131.996 tors. eta vs tors. theta energy: -234.976 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: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2605.318191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.318191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.318191 (E_RNA) where: Base-Base interactions energy: -1809.987 where: short stacking energy: -776.681 Base-Backbone interact. energy: 0.031 local terms energy: -795.362783 where: bonds (distance) C4'-P energy: -145.869 bonds (distance) P-C4' energy: -142.467 flat angles C4'-P-C4' energy: -174.883 flat angles P-C4'-P energy: -115.830 tors. eta vs tors. theta energy: -216.314 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: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2486.312622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.312622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.312622 (E_RNA) where: Base-Base interactions energy: -1720.408 where: short stacking energy: -697.453 Base-Backbone interact. energy: 1.353 local terms energy: -767.256954 where: bonds (distance) C4'-P energy: -143.165 bonds (distance) P-C4' energy: -148.665 flat angles C4'-P-C4' energy: -175.488 flat angles P-C4'-P energy: -87.346 tors. eta vs tors. theta energy: -212.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2187.887378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.887378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.887378 (E_RNA) where: Base-Base interactions energy: -1457.168 where: short stacking energy: -637.265 Base-Backbone interact. energy: -3.604 local terms energy: -727.115445 where: bonds (distance) C4'-P energy: -142.092 bonds (distance) P-C4' energy: -143.385 flat angles C4'-P-C4' energy: -168.400 flat angles P-C4'-P energy: -102.121 tors. eta vs tors. theta energy: -171.118 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: 7, replica: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1775.221138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.221138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.221138 (E_RNA) where: Base-Base interactions energy: -1120.921 where: short stacking energy: -479.401 Base-Backbone interact. energy: -4.771 local terms energy: -649.529850 where: bonds (distance) C4'-P energy: -135.088 bonds (distance) P-C4' energy: -155.423 flat angles C4'-P-C4' energy: -155.801 flat angles P-C4'-P energy: -100.495 tors. eta vs tors. theta energy: -102.724 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: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1389.336669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.336669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.336669 (E_RNA) where: Base-Base interactions energy: -874.522 where: short stacking energy: -385.943 Base-Backbone interact. energy: 1.651 local terms energy: -516.465644 where: bonds (distance) C4'-P energy: -99.368 bonds (distance) P-C4' energy: -140.625 flat angles C4'-P-C4' energy: -147.266 flat angles P-C4'-P energy: -76.853 tors. eta vs tors. theta energy: -52.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -988.731327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.731327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.731327 (E_RNA) where: Base-Base interactions energy: -504.316 where: short stacking energy: -265.401 Base-Backbone interact. energy: -0.742 local terms energy: -483.673415 where: bonds (distance) C4'-P energy: -131.693 bonds (distance) P-C4' energy: -124.870 flat angles C4'-P-C4' energy: -122.373 flat angles P-C4'-P energy: -90.448 tors. eta vs tors. theta energy: -14.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -809.502166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.502166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.502166 (E_RNA) where: Base-Base interactions energy: -386.873 where: short stacking energy: -226.079 Base-Backbone interact. energy: 13.773 local terms energy: -436.402198 where: bonds (distance) C4'-P energy: -127.666 bonds (distance) P-C4' energy: -138.206 flat angles C4'-P-C4' energy: -100.098 flat angles P-C4'-P energy: -70.455 tors. eta vs tors. theta energy: 0.023 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: 5 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2956.196821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.196821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.196821 (E_RNA) where: Base-Base interactions energy: -2054.231 where: short stacking energy: -839.473 Base-Backbone interact. energy: -7.089 local terms energy: -894.876524 where: bonds (distance) C4'-P energy: -163.676 bonds (distance) P-C4' energy: -161.848 flat angles C4'-P-C4' energy: -193.683 flat angles P-C4'-P energy: -117.625 tors. eta vs tors. theta energy: -258.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2827.469539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.469539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.469539 (E_RNA) where: Base-Base interactions energy: -1932.195 where: short stacking energy: -819.783 Base-Backbone interact. energy: -4.449 local terms energy: -890.825840 where: bonds (distance) C4'-P energy: -169.214 bonds (distance) P-C4' energy: -172.461 flat angles C4'-P-C4' energy: -181.739 flat angles P-C4'-P energy: -126.228 tors. eta vs tors. theta energy: -241.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2758.465210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.465210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.465210 (E_RNA) where: Base-Base interactions energy: -1920.463 where: short stacking energy: -763.595 Base-Backbone interact. energy: 2.046 local terms energy: -840.048528 where: bonds (distance) C4'-P energy: -160.690 bonds (distance) P-C4' energy: -150.925 flat angles C4'-P-C4' energy: -195.769 flat angles P-C4'-P energy: -109.170 tors. eta vs tors. theta energy: -223.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2588.917878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.917878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.917878 (E_RNA) where: Base-Base interactions energy: -1773.790 where: short stacking energy: -770.965 Base-Backbone interact. energy: -1.159 local terms energy: -813.968574 where: bonds (distance) C4'-P energy: -146.344 bonds (distance) P-C4' energy: -143.993 flat angles C4'-P-C4' energy: -189.768 flat angles P-C4'-P energy: -112.283 tors. eta vs tors. theta energy: -221.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2481.880007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.880007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.880007 (E_RNA) where: Base-Base interactions energy: -1729.849 where: short stacking energy: -689.078 Base-Backbone interact. energy: 7.637 local terms energy: -759.668252 where: bonds (distance) C4'-P energy: -131.015 bonds (distance) P-C4' energy: -153.242 flat angles C4'-P-C4' energy: -166.597 flat angles P-C4'-P energy: -104.626 tors. eta vs tors. theta energy: -204.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2177.195130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.195130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.195130 (E_RNA) where: Base-Base interactions energy: -1457.880 where: short stacking energy: -617.013 Base-Backbone interact. energy: -4.742 local terms energy: -714.573644 where: bonds (distance) C4'-P energy: -132.906 bonds (distance) P-C4' energy: -145.824 flat angles C4'-P-C4' energy: -157.041 flat angles P-C4'-P energy: -113.485 tors. eta vs tors. theta energy: -165.318 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: 7 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1871.160567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.160567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.160567 (E_RNA) where: Base-Base interactions energy: -1225.340 where: short stacking energy: -549.794 Base-Backbone interact. energy: -1.371 local terms energy: -644.449060 where: bonds (distance) C4'-P energy: -134.028 bonds (distance) P-C4' energy: -144.184 flat angles C4'-P-C4' energy: -157.841 flat angles P-C4'-P energy: -90.133 tors. eta vs tors. theta energy: -118.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1495.876607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.876607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.876607 (E_RNA) where: Base-Base interactions energy: -935.868 where: short stacking energy: -435.722 Base-Backbone interact. energy: 0.486 local terms energy: -560.494532 where: bonds (distance) C4'-P energy: -127.800 bonds (distance) P-C4' energy: -142.691 flat angles C4'-P-C4' energy: -134.448 flat angles P-C4'-P energy: -83.657 tors. eta vs tors. theta energy: -71.898 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: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1007.656645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.656645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.656645 (E_RNA) where: Base-Base interactions energy: -546.419 where: short stacking energy: -290.725 Base-Backbone interact. energy: 3.412 local terms energy: -464.649371 where: bonds (distance) C4'-P energy: -134.139 bonds (distance) P-C4' energy: -141.031 flat angles C4'-P-C4' energy: -121.398 flat angles P-C4'-P energy: -59.714 tors. eta vs tors. theta energy: -8.367 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: 3 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -852.622619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.622619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.622619 (E_RNA) where: Base-Base interactions energy: -405.023 where: short stacking energy: -245.155 Base-Backbone interact. energy: -3.795 local terms energy: -443.804965 where: bonds (distance) C4'-P energy: -125.306 bonds (distance) P-C4' energy: -134.772 flat angles C4'-P-C4' energy: -111.996 flat angles P-C4'-P energy: -80.659 tors. eta vs tors. theta energy: 8.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2972.216947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.216947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.216947 (E_RNA) where: Base-Base interactions energy: -2065.310 where: short stacking energy: -837.255 Base-Backbone interact. energy: -1.922 local terms energy: -904.985164 where: bonds (distance) C4'-P energy: -176.259 bonds (distance) P-C4' energy: -167.127 flat angles C4'-P-C4' energy: -191.790 flat angles P-C4'-P energy: -127.918 tors. eta vs tors. theta energy: -241.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2822.374160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.374160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.374160 (E_RNA) where: Base-Base interactions energy: -1966.321 where: short stacking energy: -842.141 Base-Backbone interact. energy: 2.674 local terms energy: -858.726549 where: bonds (distance) C4'-P energy: -147.410 bonds (distance) P-C4' energy: -153.114 flat angles C4'-P-C4' energy: -187.769 flat angles P-C4'-P energy: -116.786 tors. eta vs tors. theta energy: -253.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2762.712382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.712382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.712382 (E_RNA) where: Base-Base interactions energy: -1913.526 where: short stacking energy: -783.614 Base-Backbone interact. energy: 0.478 local terms energy: -849.664521 where: bonds (distance) C4'-P energy: -158.884 bonds (distance) P-C4' energy: -155.483 flat angles C4'-P-C4' energy: -194.827 flat angles P-C4'-P energy: -107.930 tors. eta vs tors. theta energy: -232.540 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: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2605.289521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.289521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.289521 (E_RNA) where: Base-Base interactions energy: -1766.060 where: short stacking energy: -762.601 Base-Backbone interact. energy: -5.149 local terms energy: -834.080829 where: bonds (distance) C4'-P energy: -160.642 bonds (distance) P-C4' energy: -156.808 flat angles C4'-P-C4' energy: -157.961 flat angles P-C4'-P energy: -114.290 tors. eta vs tors. theta energy: -244.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2496.127937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.127937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.127937 (E_RNA) where: Base-Base interactions energy: -1719.296 where: short stacking energy: -706.152 Base-Backbone interact. energy: -2.436 local terms energy: -774.395855 where: bonds (distance) C4'-P energy: -156.773 bonds (distance) P-C4' energy: -154.123 flat angles C4'-P-C4' energy: -166.710 flat angles P-C4'-P energy: -97.093 tors. eta vs tors. theta energy: -199.697 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: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2106.508876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.508876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.508876 (E_RNA) where: Base-Base interactions energy: -1427.285 where: short stacking energy: -597.638 Base-Backbone interact. energy: 1.353 local terms energy: -680.576866 where: bonds (distance) C4'-P energy: -135.656 bonds (distance) P-C4' energy: -145.280 flat angles C4'-P-C4' energy: -148.339 flat angles P-C4'-P energy: -85.047 tors. eta vs tors. theta energy: -166.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1913.126865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.126865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.126865 (E_RNA) where: Base-Base interactions energy: -1245.082 where: short stacking energy: -533.293 Base-Backbone interact. energy: 4.271 local terms energy: -672.316080 where: bonds (distance) C4'-P energy: -146.466 bonds (distance) P-C4' energy: -135.101 flat angles C4'-P-C4' energy: -156.635 flat angles P-C4'-P energy: -98.504 tors. eta vs tors. theta energy: -135.609 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: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1532.974467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.974467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.974467 (E_RNA) where: Base-Base interactions energy: -964.724 where: short stacking energy: -423.684 Base-Backbone interact. energy: -3.161 local terms energy: -565.089344 where: bonds (distance) C4'-P energy: -132.454 bonds (distance) P-C4' energy: -134.910 flat angles C4'-P-C4' energy: -138.354 flat angles P-C4'-P energy: -79.315 tors. eta vs tors. theta energy: -80.058 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: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -949.637778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.637778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.637778 (E_RNA) where: Base-Base interactions energy: -509.928 where: short stacking energy: -259.067 Base-Backbone interact. energy: 1.166 local terms energy: -440.875799 where: bonds (distance) C4'-P energy: -107.740 bonds (distance) P-C4' energy: -142.454 flat angles C4'-P-C4' energy: -113.718 flat angles P-C4'-P energy: -75.082 tors. eta vs tors. theta energy: -1.882 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: 10, replica: 3 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -842.492702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.492702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.492702 (E_RNA) where: Base-Base interactions energy: -418.870 where: short stacking energy: -226.524 Base-Backbone interact. energy: -4.511 local terms energy: -419.111659 where: bonds (distance) C4'-P energy: -135.485 bonds (distance) P-C4' energy: -122.913 flat angles C4'-P-C4' energy: -115.402 flat angles P-C4'-P energy: -75.839 tors. eta vs tors. theta energy: 30.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2960.639306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.639306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.639306 (E_RNA) where: Base-Base interactions energy: -2050.259 where: short stacking energy: -831.528 Base-Backbone interact. energy: 2.557 local terms energy: -912.937987 where: bonds (distance) C4'-P energy: -166.013 bonds (distance) P-C4' energy: -164.123 flat angles C4'-P-C4' energy: -198.718 flat angles P-C4'-P energy: -128.787 tors. eta vs tors. theta energy: -255.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2802.598470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.598470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.598470 (E_RNA) where: Base-Base interactions energy: -1925.348 where: short stacking energy: -837.926 Base-Backbone interact. energy: -4.795 local terms energy: -872.456206 where: bonds (distance) C4'-P energy: -146.971 bonds (distance) P-C4' energy: -163.231 flat angles C4'-P-C4' energy: -189.018 flat angles P-C4'-P energy: -126.252 tors. eta vs tors. theta energy: -246.985 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: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2777.661201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.661201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.661201 (E_RNA) where: Base-Base interactions energy: -1934.382 where: short stacking energy: -784.646 Base-Backbone interact. energy: -4.760 local terms energy: -838.519797 where: bonds (distance) C4'-P energy: -147.477 bonds (distance) P-C4' energy: -159.809 flat angles C4'-P-C4' energy: -183.284 flat angles P-C4'-P energy: -120.551 tors. eta vs tors. theta energy: -227.398 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: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2623.098215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.098215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.098215 (E_RNA) where: Base-Base interactions energy: -1783.727 where: short stacking energy: -769.389 Base-Backbone interact. energy: -4.982 local terms energy: -834.389396 where: bonds (distance) C4'-P energy: -143.340 bonds (distance) P-C4' energy: -145.894 flat angles C4'-P-C4' energy: -179.217 flat angles P-C4'-P energy: -133.492 tors. eta vs tors. theta energy: -232.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2487.718379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.718379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.718379 (E_RNA) where: Base-Base interactions energy: -1710.203 where: short stacking energy: -698.290 Base-Backbone interact. energy: 0.420 local terms energy: -777.935705 where: bonds (distance) C4'-P energy: -136.588 bonds (distance) P-C4' energy: -150.576 flat angles C4'-P-C4' energy: -178.231 flat angles P-C4'-P energy: -125.801 tors. eta vs tors. theta energy: -186.741 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: 8 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2095.800556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.800556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.800556 (E_RNA) where: Base-Base interactions energy: -1437.219 where: short stacking energy: -607.971 Base-Backbone interact. energy: -0.482 local terms energy: -658.099897 where: bonds (distance) C4'-P energy: -135.102 bonds (distance) P-C4' energy: -121.942 flat angles C4'-P-C4' energy: -154.507 flat angles P-C4'-P energy: -92.112 tors. eta vs tors. theta energy: -154.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1906.967338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.967338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.967338 (E_RNA) where: Base-Base interactions energy: -1205.322 where: short stacking energy: -550.526 Base-Backbone interact. energy: -3.334 local terms energy: -698.311369 where: bonds (distance) C4'-P energy: -151.896 bonds (distance) P-C4' energy: -139.276 flat angles C4'-P-C4' energy: -162.241 flat angles P-C4'-P energy: -101.175 tors. eta vs tors. theta energy: -143.724 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: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1477.744521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.744521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.744521 (E_RNA) where: Base-Base interactions energy: -935.972 where: short stacking energy: -440.443 Base-Backbone interact. energy: 0.121 local terms energy: -541.893375 where: bonds (distance) C4'-P energy: -130.166 bonds (distance) P-C4' energy: -115.173 flat angles C4'-P-C4' energy: -160.042 flat angles P-C4'-P energy: -76.823 tors. eta vs tors. theta energy: -59.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -950.859634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.859634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.859634 (E_RNA) where: Base-Base interactions energy: -466.463 where: short stacking energy: -252.250 Base-Backbone interact. energy: -5.742 local terms energy: -478.654756 where: bonds (distance) C4'-P energy: -141.585 bonds (distance) P-C4' energy: -145.424 flat angles C4'-P-C4' energy: -130.927 flat angles P-C4'-P energy: -76.409 tors. eta vs tors. theta energy: 15.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -808.151683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.151683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.151683 (E_RNA) where: Base-Base interactions energy: -385.323 where: short stacking energy: -223.117 Base-Backbone interact. energy: 3.286 local terms energy: -426.115420 where: bonds (distance) C4'-P energy: -122.333 bonds (distance) P-C4' energy: -142.375 flat angles C4'-P-C4' energy: -114.578 flat angles P-C4'-P energy: -59.970 tors. eta vs tors. theta energy: 13.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2978.657758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.657758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.657758 (E_RNA) where: Base-Base interactions energy: -2059.075 where: short stacking energy: -862.815 Base-Backbone interact. energy: -0.607 local terms energy: -918.975956 where: bonds (distance) C4'-P energy: -158.639 bonds (distance) P-C4' energy: -163.507 flat angles C4'-P-C4' energy: -202.330 flat angles P-C4'-P energy: -136.926 tors. eta vs tors. theta energy: -257.573 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: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2864.451404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.451404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.451404 (E_RNA) where: Base-Base interactions energy: -1980.637 where: short stacking energy: -836.085 Base-Backbone interact. energy: -3.356 local terms energy: -880.457670 where: bonds (distance) C4'-P energy: -167.241 bonds (distance) P-C4' energy: -165.111 flat angles C4'-P-C4' energy: -178.594 flat angles P-C4'-P energy: -121.760 tors. eta vs tors. theta energy: -247.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2784.664132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.664132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.664132 (E_RNA) where: Base-Base interactions energy: -1928.372 where: short stacking energy: -795.399 Base-Backbone interact. energy: -7.056 local terms energy: -849.236730 where: bonds (distance) C4'-P energy: -139.086 bonds (distance) P-C4' energy: -173.556 flat angles C4'-P-C4' energy: -190.325 flat angles P-C4'-P energy: -103.442 tors. eta vs tors. theta energy: -242.828 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: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2654.045556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.045556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.045556 (E_RNA) where: Base-Base interactions energy: -1796.108 where: short stacking energy: -800.891 Base-Backbone interact. energy: -1.052 local terms energy: -856.885180 where: bonds (distance) C4'-P energy: -150.879 bonds (distance) P-C4' energy: -161.663 flat angles C4'-P-C4' energy: -177.113 flat angles P-C4'-P energy: -123.698 tors. eta vs tors. theta energy: -243.533 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: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2409.075982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.075982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.075982 (E_RNA) where: Base-Base interactions energy: -1670.939 where: short stacking energy: -690.011 Base-Backbone interact. energy: -2.634 local terms energy: -735.503265 where: bonds (distance) C4'-P energy: -146.231 bonds (distance) P-C4' energy: -135.506 flat angles C4'-P-C4' energy: -159.427 flat angles P-C4'-P energy: -107.135 tors. eta vs tors. theta energy: -187.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2154.605872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.605872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.605872 (E_RNA) where: Base-Base interactions energy: -1463.282 where: short stacking energy: -620.348 Base-Backbone interact. energy: 3.502 local terms energy: -694.826132 where: bonds (distance) C4'-P energy: -145.869 bonds (distance) P-C4' energy: -132.912 flat angles C4'-P-C4' energy: -140.652 flat angles P-C4'-P energy: -92.445 tors. eta vs tors. theta energy: -182.949 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: 7 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1886.743317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.743317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.743317 (E_RNA) where: Base-Base interactions energy: -1224.592 where: short stacking energy: -562.803 Base-Backbone interact. energy: -1.106 local terms energy: -661.045280 where: bonds (distance) C4'-P energy: -131.475 bonds (distance) P-C4' energy: -131.370 flat angles C4'-P-C4' energy: -147.606 flat angles P-C4'-P energy: -96.990 tors. eta vs tors. theta energy: -153.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1477.832519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.832519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.832519 (E_RNA) where: Base-Base interactions energy: -923.155 where: short stacking energy: -418.204 Base-Backbone interact. energy: -2.131 local terms energy: -552.546852 where: bonds (distance) C4'-P energy: -154.953 bonds (distance) P-C4' energy: -135.778 flat angles C4'-P-C4' energy: -132.596 flat angles P-C4'-P energy: -59.220 tors. eta vs tors. theta energy: -70.001 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: 9, replica: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -938.494953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.494953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.494953 (E_RNA) where: Base-Base interactions energy: -469.840 where: short stacking energy: -248.454 Base-Backbone interact. energy: -2.253 local terms energy: -466.402415 where: bonds (distance) C4'-P energy: -129.753 bonds (distance) P-C4' energy: -133.433 flat angles C4'-P-C4' energy: -105.883 flat angles P-C4'-P energy: -91.596 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -789.622928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.622928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.622928 (E_RNA) where: Base-Base interactions energy: -374.572 where: short stacking energy: -184.398 Base-Backbone interact. energy: -0.924 local terms energy: -414.127655 where: bonds (distance) C4'-P energy: -128.367 bonds (distance) P-C4' energy: -128.561 flat angles C4'-P-C4' energy: -110.426 flat angles P-C4'-P energy: -69.103 tors. eta vs tors. theta energy: 22.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2975.594968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.594968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.594968 (E_RNA) where: Base-Base interactions energy: -2048.961 where: short stacking energy: -847.569 Base-Backbone interact. energy: -7.166 local terms energy: -919.467219 where: bonds (distance) C4'-P energy: -166.588 bonds (distance) P-C4' energy: -170.969 flat angles C4'-P-C4' energy: -194.329 flat angles P-C4'-P energy: -127.355 tors. eta vs tors. theta energy: -260.226 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: 2, replica: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2855.712563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.712563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.712563 (E_RNA) where: Base-Base interactions energy: -1983.594 where: short stacking energy: -833.344 Base-Backbone interact. energy: -9.290 local terms energy: -862.828144 where: bonds (distance) C4'-P energy: -158.470 bonds (distance) P-C4' energy: -151.184 flat angles C4'-P-C4' energy: -182.752 flat angles P-C4'-P energy: -118.192 tors. eta vs tors. theta energy: -252.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2824.212922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.212922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.212922 (E_RNA) where: Base-Base interactions energy: -1962.534 where: short stacking energy: -831.078 Base-Backbone interact. energy: -2.241 local terms energy: -859.438490 where: bonds (distance) C4'-P energy: -157.240 bonds (distance) P-C4' energy: -157.437 flat angles C4'-P-C4' energy: -185.234 flat angles P-C4'-P energy: -109.141 tors. eta vs tors. theta energy: -250.387 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: 4, replica: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2640.149145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.149145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.149145 (E_RNA) where: Base-Base interactions energy: -1815.652 where: short stacking energy: -790.650 Base-Backbone interact. energy: -1.189 local terms energy: -823.308213 where: bonds (distance) C4'-P energy: -145.281 bonds (distance) P-C4' energy: -145.124 flat angles C4'-P-C4' energy: -175.660 flat angles P-C4'-P energy: -114.333 tors. eta vs tors. theta energy: -242.911 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: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2460.451926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.451926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.451926 (E_RNA) where: Base-Base interactions energy: -1704.008 where: short stacking energy: -710.846 Base-Backbone interact. energy: -2.886 local terms energy: -753.557083 where: bonds (distance) C4'-P energy: -146.239 bonds (distance) P-C4' energy: -138.022 flat angles C4'-P-C4' energy: -178.182 flat angles P-C4'-P energy: -104.556 tors. eta vs tors. theta energy: -186.560 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: 8 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2155.919207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.919207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.919207 (E_RNA) where: Base-Base interactions energy: -1456.638 where: short stacking energy: -611.978 Base-Backbone interact. energy: -0.461 local terms energy: -698.820297 where: bonds (distance) C4'-P energy: -133.599 bonds (distance) P-C4' energy: -150.003 flat angles C4'-P-C4' energy: -144.560 flat angles P-C4'-P energy: -100.793 tors. eta vs tors. theta energy: -169.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1849.282756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.282756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.282756 (E_RNA) where: Base-Base interactions energy: -1186.899 where: short stacking energy: -515.382 Base-Backbone interact. energy: -3.145 local terms energy: -659.238178 where: bonds (distance) C4'-P energy: -144.116 bonds (distance) P-C4' energy: -125.671 flat angles C4'-P-C4' energy: -152.935 flat angles P-C4'-P energy: -116.344 tors. eta vs tors. theta energy: -120.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1524.120544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.120544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.120544 (E_RNA) where: Base-Base interactions energy: -966.689 where: short stacking energy: -447.070 Base-Backbone interact. energy: -1.869 local terms energy: -555.562766 where: bonds (distance) C4'-P energy: -126.898 bonds (distance) P-C4' energy: -129.827 flat angles C4'-P-C4' energy: -136.273 flat angles P-C4'-P energy: -79.623 tors. eta vs tors. theta energy: -82.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -923.500046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.500046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.500046 (E_RNA) where: Base-Base interactions energy: -452.986 where: short stacking energy: -243.176 Base-Backbone interact. energy: -1.974 local terms energy: -468.540383 where: bonds (distance) C4'-P energy: -128.524 bonds (distance) P-C4' energy: -144.033 flat angles C4'-P-C4' energy: -121.287 flat angles P-C4'-P energy: -71.209 tors. eta vs tors. theta energy: -3.487 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: 3 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -761.884570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.884570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.884570 (E_RNA) where: Base-Base interactions energy: -324.712 where: short stacking energy: -195.907 Base-Backbone interact. energy: 4.200 local terms energy: -441.372340 where: bonds (distance) C4'-P energy: -128.992 bonds (distance) P-C4' energy: -144.023 flat angles C4'-P-C4' energy: -106.221 flat angles P-C4'-P energy: -83.950 tors. eta vs tors. theta energy: 21.814 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: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2961.594985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.594985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.594985 (E_RNA) where: Base-Base interactions energy: -2071.096 where: short stacking energy: -845.580 Base-Backbone interact. energy: -7.417 local terms energy: -883.082422 where: bonds (distance) C4'-P energy: -159.706 bonds (distance) P-C4' energy: -156.006 flat angles C4'-P-C4' energy: -193.620 flat angles P-C4'-P energy: -122.873 tors. eta vs tors. theta energy: -250.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2867.265643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.265643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.265643 (E_RNA) where: Base-Base interactions energy: -1951.644 where: short stacking energy: -834.812 Base-Backbone interact. energy: 0.813 local terms energy: -916.434428 where: bonds (distance) C4'-P energy: -165.454 bonds (distance) P-C4' energy: -182.084 flat angles C4'-P-C4' energy: -185.542 flat angles P-C4'-P energy: -129.265 tors. eta vs tors. theta energy: -254.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2755.906158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.906158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.906158 (E_RNA) where: Base-Base interactions energy: -1929.492 where: short stacking energy: -803.167 Base-Backbone interact. energy: -4.058 local terms energy: -822.356458 where: bonds (distance) C4'-P energy: -148.677 bonds (distance) P-C4' energy: -138.803 flat angles C4'-P-C4' energy: -185.263 flat angles P-C4'-P energy: -123.339 tors. eta vs tors. theta energy: -226.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2590.169598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.169598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.169598 (E_RNA) where: Base-Base interactions energy: -1769.624 where: short stacking energy: -776.377 Base-Backbone interact. energy: -0.978 local terms energy: -819.567302 where: bonds (distance) C4'-P energy: -149.866 bonds (distance) P-C4' energy: -154.052 flat angles C4'-P-C4' energy: -173.540 flat angles P-C4'-P energy: -108.279 tors. eta vs tors. theta energy: -233.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2424.890320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.890320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.890320 (E_RNA) where: Base-Base interactions energy: -1691.200 where: short stacking energy: -680.118 Base-Backbone interact. energy: 1.457 local terms energy: -735.147106 where: bonds (distance) C4'-P energy: -130.467 bonds (distance) P-C4' energy: -146.239 flat angles C4'-P-C4' energy: -166.642 flat angles P-C4'-P energy: -112.602 tors. eta vs tors. theta energy: -179.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2061.368255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.368255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.368255 (E_RNA) where: Base-Base interactions energy: -1379.326 where: short stacking energy: -587.159 Base-Backbone interact. energy: 3.718 local terms energy: -685.760002 where: bonds (distance) C4'-P energy: -133.002 bonds (distance) P-C4' energy: -158.711 flat angles C4'-P-C4' energy: -151.418 flat angles P-C4'-P energy: -91.993 tors. eta vs tors. theta energy: -150.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1838.527836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.527836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.527836 (E_RNA) where: Base-Base interactions energy: -1187.107 where: short stacking energy: -506.086 Base-Backbone interact. energy: -3.217 local terms energy: -648.204529 where: bonds (distance) C4'-P energy: -128.318 bonds (distance) P-C4' energy: -150.733 flat angles C4'-P-C4' energy: -162.484 flat angles P-C4'-P energy: -96.317 tors. eta vs tors. theta energy: -110.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1487.035418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.035418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.035418 (E_RNA) where: Base-Base interactions energy: -914.995 where: short stacking energy: -415.163 Base-Backbone interact. energy: -0.639 local terms energy: -571.401036 where: bonds (distance) C4'-P energy: -118.856 bonds (distance) P-C4' energy: -137.132 flat angles C4'-P-C4' energy: -132.210 flat angles P-C4'-P energy: -92.645 tors. eta vs tors. theta energy: -90.558 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: 416 Temperature: 1.300000 Total energy: -971.612359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.612359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.612359 (E_RNA) where: Base-Base interactions energy: -499.608 where: short stacking energy: -259.623 Base-Backbone interact. energy: 0.296 local terms energy: -472.299883 where: bonds (distance) C4'-P energy: -150.345 bonds (distance) P-C4' energy: -130.292 flat angles C4'-P-C4' energy: -127.116 flat angles P-C4'-P energy: -59.622 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -836.400696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.400696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.400696 (E_RNA) where: Base-Base interactions energy: -404.963 where: short stacking energy: -257.725 Base-Backbone interact. energy: -3.061 local terms energy: -428.376632 where: bonds (distance) C4'-P energy: -129.487 bonds (distance) P-C4' energy: -133.313 flat angles C4'-P-C4' energy: -115.220 flat angles P-C4'-P energy: -57.539 tors. eta vs tors. theta energy: 7.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2964.834165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.834165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.834165 (E_RNA) where: Base-Base interactions energy: -2072.990 where: short stacking energy: -868.407 Base-Backbone interact. energy: -0.208 local terms energy: -891.635684 where: bonds (distance) C4'-P energy: -158.697 bonds (distance) P-C4' energy: -173.419 flat angles C4'-P-C4' energy: -193.634 flat angles P-C4'-P energy: -119.579 tors. eta vs tors. theta energy: -246.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2847.798124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.798124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.798124 (E_RNA) where: Base-Base interactions energy: -1965.935 where: short stacking energy: -831.383 Base-Backbone interact. energy: -6.040 local terms energy: -875.823137 where: bonds (distance) C4'-P energy: -143.261 bonds (distance) P-C4' energy: -166.263 flat angles C4'-P-C4' energy: -176.562 flat angles P-C4'-P energy: -134.977 tors. eta vs tors. theta energy: -254.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2777.003910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.003910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.003910 (E_RNA) where: Base-Base interactions energy: -1935.016 where: short stacking energy: -772.747 Base-Backbone interact. energy: -3.374 local terms energy: -838.613893 where: bonds (distance) C4'-P energy: -145.719 bonds (distance) P-C4' energy: -146.798 flat angles C4'-P-C4' energy: -194.101 flat angles P-C4'-P energy: -130.313 tors. eta vs tors. theta energy: -221.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2561.317074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.317074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.317074 (E_RNA) where: Base-Base interactions energy: -1738.689 where: short stacking energy: -766.080 Base-Backbone interact. energy: -2.443 local terms energy: -820.185344 where: bonds (distance) C4'-P energy: -160.718 bonds (distance) P-C4' energy: -152.991 flat angles C4'-P-C4' energy: -161.367 flat angles P-C4'-P energy: -115.572 tors. eta vs tors. theta energy: -229.537 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: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2447.112247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.112247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.112247 (E_RNA) where: Base-Base interactions energy: -1679.910 where: short stacking energy: -702.409 Base-Backbone interact. energy: -3.081 local terms energy: -764.120846 where: bonds (distance) C4'-P energy: -140.217 bonds (distance) P-C4' energy: -139.011 flat angles C4'-P-C4' energy: -165.393 flat angles P-C4'-P energy: -126.098 tors. eta vs tors. theta energy: -193.403 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: 8 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2071.098339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.098339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.098339 (E_RNA) where: Base-Base interactions energy: -1398.829 where: short stacking energy: -597.818 Base-Backbone interact. energy: 0.718 local terms energy: -672.987294 where: bonds (distance) C4'-P energy: -137.188 bonds (distance) P-C4' energy: -143.810 flat angles C4'-P-C4' energy: -148.512 flat angles P-C4'-P energy: -91.516 tors. eta vs tors. theta energy: -151.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1797.187535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.187535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.187535 (E_RNA) where: Base-Base interactions energy: -1178.040 where: short stacking energy: -523.707 Base-Backbone interact. energy: -3.838 local terms energy: -615.309123 where: bonds (distance) C4'-P energy: -148.923 bonds (distance) P-C4' energy: -133.254 flat angles C4'-P-C4' energy: -136.822 flat angles P-C4'-P energy: -77.413 tors. eta vs tors. theta energy: -118.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1479.164806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.164806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.164806 (E_RNA) where: Base-Base interactions energy: -925.425 where: short stacking energy: -420.516 Base-Backbone interact. energy: -2.551 local terms energy: -551.189087 where: bonds (distance) C4'-P energy: -106.674 bonds (distance) P-C4' energy: -139.332 flat angles C4'-P-C4' energy: -126.564 flat angles P-C4'-P energy: -99.947 tors. eta vs tors. theta energy: -78.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -910.606832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.606832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.606832 (E_RNA) where: Base-Base interactions energy: -467.380 where: short stacking energy: -267.480 Base-Backbone interact. energy: 0.099 local terms energy: -443.326147 where: bonds (distance) C4'-P energy: -132.749 bonds (distance) P-C4' energy: -126.432 flat angles C4'-P-C4' energy: -125.088 flat angles P-C4'-P energy: -62.882 tors. eta vs tors. theta energy: 3.826 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: 10, replica: 3 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -800.231666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.231666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.231666 (E_RNA) where: Base-Base interactions energy: -396.347 where: short stacking energy: -225.766 Base-Backbone interact. energy: 18.114 local terms energy: -421.998515 where: bonds (distance) C4'-P energy: -138.580 bonds (distance) P-C4' energy: -138.593 flat angles C4'-P-C4' energy: -134.447 flat angles P-C4'-P energy: -33.368 tors. eta vs tors. theta energy: 22.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2963.289154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.289154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.289154 (E_RNA) where: Base-Base interactions energy: -2070.622 where: short stacking energy: -867.108 Base-Backbone interact. energy: -0.477 local terms energy: -892.190317 where: bonds (distance) C4'-P energy: -166.204 bonds (distance) P-C4' energy: -167.381 flat angles C4'-P-C4' energy: -188.080 flat angles P-C4'-P energy: -126.744 tors. eta vs tors. theta energy: -243.782 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: 2, replica: 4 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2872.769197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.769197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.769197 (E_RNA) where: Base-Base interactions energy: -2004.316 where: short stacking energy: -826.647 Base-Backbone interact. energy: -2.895 local terms energy: -865.558780 where: bonds (distance) C4'-P energy: -148.093 bonds (distance) P-C4' energy: -161.879 flat angles C4'-P-C4' energy: -181.063 flat angles P-C4'-P energy: -129.008 tors. eta vs tors. theta energy: -245.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2776.424246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.424246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.424246 (E_RNA) where: Base-Base interactions energy: -1921.603 where: short stacking energy: -806.189 Base-Backbone interact. energy: -5.219 local terms energy: -849.602855 where: bonds (distance) C4'-P energy: -163.006 bonds (distance) P-C4' energy: -152.096 flat angles C4'-P-C4' energy: -183.759 flat angles P-C4'-P energy: -118.528 tors. eta vs tors. theta energy: -232.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2482.025700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.025700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.025700 (E_RNA) where: Base-Base interactions energy: -1684.292 where: short stacking energy: -700.838 Base-Backbone interact. energy: -2.835 local terms energy: -794.898594 where: bonds (distance) C4'-P energy: -144.427 bonds (distance) P-C4' energy: -151.698 flat angles C4'-P-C4' energy: -157.091 flat angles P-C4'-P energy: -130.380 tors. eta vs tors. theta energy: -211.304 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: 418 Temperature: 1.100000 Total energy: -2450.484632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.484632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.484632 (E_RNA) where: Base-Base interactions energy: -1644.905 where: short stacking energy: -714.739 Base-Backbone interact. energy: -3.860 local terms energy: -801.719763 where: bonds (distance) C4'-P energy: -143.743 bonds (distance) P-C4' energy: -169.407 flat angles C4'-P-C4' energy: -187.830 flat angles P-C4'-P energy: -100.782 tors. eta vs tors. theta energy: -199.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2111.096044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.096044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.096044 (E_RNA) where: Base-Base interactions energy: -1425.584 where: short stacking energy: -582.035 Base-Backbone interact. energy: -5.320 local terms energy: -680.191855 where: bonds (distance) C4'-P energy: -138.083 bonds (distance) P-C4' energy: -138.510 flat angles C4'-P-C4' energy: -154.787 flat angles P-C4'-P energy: -105.566 tors. eta vs tors. theta energy: -143.246 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: 7, replica: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1806.071835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.071835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.071835 (E_RNA) where: Base-Base interactions energy: -1187.011 where: short stacking energy: -508.513 Base-Backbone interact. energy: -0.058 local terms energy: -619.003553 where: bonds (distance) C4'-P energy: -113.544 bonds (distance) P-C4' energy: -153.072 flat angles C4'-P-C4' energy: -141.963 flat angles P-C4'-P energy: -77.034 tors. eta vs tors. theta energy: -133.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1494.733077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.733077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.733077 (E_RNA) where: Base-Base interactions energy: -914.307 where: short stacking energy: -418.668 Base-Backbone interact. energy: -5.054 local terms energy: -575.371657 where: bonds (distance) C4'-P energy: -140.445 bonds (distance) P-C4' energy: -141.339 flat angles C4'-P-C4' energy: -132.098 flat angles P-C4'-P energy: -84.303 tors. eta vs tors. theta energy: -77.186 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: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -908.252464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.252464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.252464 (E_RNA) where: Base-Base interactions energy: -461.454 where: short stacking energy: -273.216 Base-Backbone interact. energy: 4.348 local terms energy: -451.146306 where: bonds (distance) C4'-P energy: -136.276 bonds (distance) P-C4' energy: -132.303 flat angles C4'-P-C4' energy: -116.383 flat angles P-C4'-P energy: -60.359 tors. eta vs tors. theta energy: -5.824 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: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -807.131872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.131872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.131872 (E_RNA) where: Base-Base interactions energy: -391.198 where: short stacking energy: -220.457 Base-Backbone interact. energy: -5.099 local terms energy: -410.834525 where: bonds (distance) C4'-P energy: -140.790 bonds (distance) P-C4' energy: -114.758 flat angles C4'-P-C4' energy: -115.235 flat angles P-C4'-P energy: -61.190 tors. eta vs tors. theta energy: 21.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2965.012451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.012451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.012451 (E_RNA) where: Base-Base interactions energy: -2079.928 where: short stacking energy: -835.583 Base-Backbone interact. energy: -0.733 local terms energy: -884.351202 where: bonds (distance) C4'-P energy: -151.471 bonds (distance) P-C4' energy: -170.509 flat angles C4'-P-C4' energy: -187.141 flat angles P-C4'-P energy: -125.794 tors. eta vs tors. theta energy: -249.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2861.903426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.903426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.903426 (E_RNA) where: Base-Base interactions energy: -1960.791 where: short stacking energy: -837.378 Base-Backbone interact. energy: -4.090 local terms energy: -897.023207 where: bonds (distance) C4'-P energy: -162.017 bonds (distance) P-C4' energy: -168.687 flat angles C4'-P-C4' energy: -195.051 flat angles P-C4'-P energy: -117.249 tors. eta vs tors. theta energy: -254.019 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: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2803.399337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.399337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.399337 (E_RNA) where: Base-Base interactions energy: -1955.651 where: short stacking energy: -780.709 Base-Backbone interact. energy: -3.837 local terms energy: -843.910583 where: bonds (distance) C4'-P energy: -152.124 bonds (distance) P-C4' energy: -161.111 flat angles C4'-P-C4' energy: -180.257 flat angles P-C4'-P energy: -106.426 tors. eta vs tors. theta energy: -243.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2504.103550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.103550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.103550 (E_RNA) where: Base-Base interactions energy: -1712.772 where: short stacking energy: -721.985 Base-Backbone interact. energy: -4.550 local terms energy: -786.782176 where: bonds (distance) C4'-P energy: -148.864 bonds (distance) P-C4' energy: -155.029 flat angles C4'-P-C4' energy: -166.654 flat angles P-C4'-P energy: -107.535 tors. eta vs tors. theta energy: -208.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2415.616929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.616929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.616929 (E_RNA) where: Base-Base interactions energy: -1655.080 where: short stacking energy: -727.097 Base-Backbone interact. energy: -1.953 local terms energy: -758.583896 where: bonds (distance) C4'-P energy: -134.836 bonds (distance) P-C4' energy: -136.176 flat angles C4'-P-C4' energy: -167.074 flat angles P-C4'-P energy: -109.707 tors. eta vs tors. theta energy: -210.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2101.035768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.035768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.035768 (E_RNA) where: Base-Base interactions energy: -1409.634 where: short stacking energy: -584.019 Base-Backbone interact. energy: -0.821 local terms energy: -690.581108 where: bonds (distance) C4'-P energy: -148.423 bonds (distance) P-C4' energy: -136.400 flat angles C4'-P-C4' energy: -146.284 flat angles P-C4'-P energy: -96.334 tors. eta vs tors. theta energy: -163.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1811.619868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.619868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.619868 (E_RNA) where: Base-Base interactions energy: -1177.648 where: short stacking energy: -481.146 Base-Backbone interact. energy: 0.464 local terms energy: -634.436217 where: bonds (distance) C4'-P energy: -137.184 bonds (distance) P-C4' energy: -152.722 flat angles C4'-P-C4' energy: -132.227 flat angles P-C4'-P energy: -86.547 tors. eta vs tors. theta energy: -125.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1531.208591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.208591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.208591 (E_RNA) where: Base-Base interactions energy: -942.901 where: short stacking energy: -429.191 Base-Backbone interact. energy: 4.159 local terms energy: -592.466271 where: bonds (distance) C4'-P energy: -135.308 bonds (distance) P-C4' energy: -156.258 flat angles C4'-P-C4' energy: -149.998 flat angles P-C4'-P energy: -73.309 tors. eta vs tors. theta energy: -77.593 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: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -918.751991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.751991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.751991 (E_RNA) where: Base-Base interactions energy: -468.691 where: short stacking energy: -241.223 Base-Backbone interact. energy: -0.462 local terms energy: -449.598392 where: bonds (distance) C4'-P energy: -140.132 bonds (distance) P-C4' energy: -153.504 flat angles C4'-P-C4' energy: -113.181 flat angles P-C4'-P energy: -57.647 tors. eta vs tors. theta energy: 14.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -809.749102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.749102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.749102 (E_RNA) where: Base-Base interactions energy: -366.136 where: short stacking energy: -227.636 Base-Backbone interact. energy: 7.345 local terms energy: -450.957400 where: bonds (distance) C4'-P energy: -131.304 bonds (distance) P-C4' energy: -157.071 flat angles C4'-P-C4' energy: -108.283 flat angles P-C4'-P energy: -64.461 tors. eta vs tors. theta energy: 10.162 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: 5 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2982.262665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.262665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.262665 (E_RNA) where: Base-Base interactions energy: -2070.633 where: short stacking energy: -841.066 Base-Backbone interact. energy: -3.801 local terms energy: -907.828509 where: bonds (distance) C4'-P energy: -163.228 bonds (distance) P-C4' energy: -168.704 flat angles C4'-P-C4' energy: -190.202 flat angles P-C4'-P energy: -136.017 tors. eta vs tors. theta energy: -249.678 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: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2849.291406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.291406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.291406 (E_RNA) where: Base-Base interactions energy: -1990.153 where: short stacking energy: -854.603 Base-Backbone interact. energy: -4.134 local terms energy: -855.004204 where: bonds (distance) C4'-P energy: -155.860 bonds (distance) P-C4' energy: -150.178 flat angles C4'-P-C4' energy: -184.503 flat angles P-C4'-P energy: -121.714 tors. eta vs tors. theta energy: -242.750 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: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2764.748196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.748196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.748196 (E_RNA) where: Base-Base interactions energy: -1939.226 where: short stacking energy: -758.313 Base-Backbone interact. energy: 0.176 local terms energy: -825.698694 where: bonds (distance) C4'-P energy: -146.152 bonds (distance) P-C4' energy: -154.778 flat angles C4'-P-C4' energy: -166.721 flat angles P-C4'-P energy: -129.648 tors. eta vs tors. theta energy: -228.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2500.793101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.793101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.793101 (E_RNA) where: Base-Base interactions energy: -1722.661 where: short stacking energy: -683.949 Base-Backbone interact. energy: -3.492 local terms energy: -774.640960 where: bonds (distance) C4'-P energy: -153.479 bonds (distance) P-C4' energy: -161.627 flat angles C4'-P-C4' energy: -156.589 flat angles P-C4'-P energy: -112.071 tors. eta vs tors. theta energy: -190.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2441.528103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.528103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.528103 (E_RNA) where: Base-Base interactions energy: -1663.099 where: short stacking energy: -721.178 Base-Backbone interact. energy: 1.851 local terms energy: -780.279776 where: bonds (distance) C4'-P energy: -159.297 bonds (distance) P-C4' energy: -141.823 flat angles C4'-P-C4' energy: -163.676 flat angles P-C4'-P energy: -118.514 tors. eta vs tors. theta energy: -196.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2088.610392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.610392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.610392 (E_RNA) where: Base-Base interactions energy: -1412.271 where: short stacking energy: -606.033 Base-Backbone interact. energy: -4.300 local terms energy: -672.039377 where: bonds (distance) C4'-P energy: -127.408 bonds (distance) P-C4' energy: -136.843 flat angles C4'-P-C4' energy: -157.640 flat angles P-C4'-P energy: -93.360 tors. eta vs tors. theta energy: -156.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1812.745931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.745931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.745931 (E_RNA) where: Base-Base interactions energy: -1162.110 where: short stacking energy: -521.006 Base-Backbone interact. energy: -0.759 local terms energy: -649.877272 where: bonds (distance) C4'-P energy: -134.271 bonds (distance) P-C4' energy: -154.918 flat angles C4'-P-C4' energy: -152.888 flat angles P-C4'-P energy: -76.799 tors. eta vs tors. theta energy: -131.001 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: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1445.245872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.245872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.245872 (E_RNA) where: Base-Base interactions energy: -890.732 where: short stacking energy: -408.609 Base-Backbone interact. energy: -0.374 local terms energy: -554.139112 where: bonds (distance) C4'-P energy: -125.335 bonds (distance) P-C4' energy: -124.191 flat angles C4'-P-C4' energy: -143.707 flat angles P-C4'-P energy: -92.801 tors. eta vs tors. theta energy: -68.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -910.759979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.759979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.759979 (E_RNA) where: Base-Base interactions energy: -457.055 where: short stacking energy: -260.423 Base-Backbone interact. energy: 5.624 local terms energy: -459.329170 where: bonds (distance) C4'-P energy: -133.419 bonds (distance) P-C4' energy: -148.391 flat angles C4'-P-C4' energy: -118.578 flat angles P-C4'-P energy: -53.139 tors. eta vs tors. theta energy: -5.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -824.213618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.213618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.213618 (E_RNA) where: Base-Base interactions energy: -368.063 where: short stacking energy: -234.720 Base-Backbone interact. energy: -2.512 local terms energy: -453.639175 where: bonds (distance) C4'-P energy: -129.062 bonds (distance) P-C4' energy: -137.819 flat angles C4'-P-C4' energy: -110.769 flat angles P-C4'-P energy: -73.608 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2937.361986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.361986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.361986 (E_RNA) where: Base-Base interactions energy: -2054.196 where: short stacking energy: -804.060 Base-Backbone interact. energy: -0.268 local terms energy: -882.898459 where: bonds (distance) C4'-P energy: -163.792 bonds (distance) P-C4' energy: -157.992 flat angles C4'-P-C4' energy: -192.895 flat angles P-C4'-P energy: -124.692 tors. eta vs tors. theta energy: -243.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2881.489129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.489129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.489129 (E_RNA) where: Base-Base interactions energy: -2024.578 where: short stacking energy: -869.818 Base-Backbone interact. energy: -2.863 local terms energy: -854.047608 where: bonds (distance) C4'-P energy: -150.897 bonds (distance) P-C4' energy: -161.120 flat angles C4'-P-C4' energy: -174.530 flat angles P-C4'-P energy: -115.767 tors. eta vs tors. theta energy: -251.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2788.843532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.843532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.843532 (E_RNA) where: Base-Base interactions energy: -1957.279 where: short stacking energy: -800.337 Base-Backbone interact. energy: -2.435 local terms energy: -829.129590 where: bonds (distance) C4'-P energy: -146.661 bonds (distance) P-C4' energy: -154.589 flat angles C4'-P-C4' energy: -190.568 flat angles P-C4'-P energy: -113.505 tors. eta vs tors. theta energy: -223.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2490.221526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.221526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.221526 (E_RNA) where: Base-Base interactions energy: -1735.218 where: short stacking energy: -710.578 Base-Backbone interact. energy: 0.246 local terms energy: -755.248732 where: bonds (distance) C4'-P energy: -144.916 bonds (distance) P-C4' energy: -134.065 flat angles C4'-P-C4' energy: -169.612 flat angles P-C4'-P energy: -115.046 tors. eta vs tors. theta energy: -191.610 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: 5, replica: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2383.301184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.301184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.301184 (E_RNA) where: Base-Base interactions energy: -1610.807 where: short stacking energy: -691.076 Base-Backbone interact. energy: -0.857 local terms energy: -771.636937 where: bonds (distance) C4'-P energy: -147.497 bonds (distance) P-C4' energy: -140.634 flat angles C4'-P-C4' energy: -164.264 flat angles P-C4'-P energy: -117.443 tors. eta vs tors. theta energy: -201.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2112.875745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.875745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.875745 (E_RNA) where: Base-Base interactions energy: -1417.718 where: short stacking energy: -572.324 Base-Backbone interact. energy: -2.103 local terms energy: -693.054292 where: bonds (distance) C4'-P energy: -139.124 bonds (distance) P-C4' energy: -145.532 flat angles C4'-P-C4' energy: -156.451 flat angles P-C4'-P energy: -107.804 tors. eta vs tors. theta energy: -144.143 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: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1820.945478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.945478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.945478 (E_RNA) where: Base-Base interactions energy: -1182.400 where: short stacking energy: -518.278 Base-Backbone interact. energy: -4.144 local terms energy: -634.401314 where: bonds (distance) C4'-P energy: -122.912 bonds (distance) P-C4' energy: -134.098 flat angles C4'-P-C4' energy: -157.650 flat angles P-C4'-P energy: -102.160 tors. eta vs tors. theta energy: -117.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1505.997069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.997069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.997069 (E_RNA) where: Base-Base interactions energy: -943.429 where: short stacking energy: -415.024 Base-Backbone interact. energy: -3.645 local terms energy: -558.923611 where: bonds (distance) C4'-P energy: -124.963 bonds (distance) P-C4' energy: -144.568 flat angles C4'-P-C4' energy: -124.708 flat angles P-C4'-P energy: -95.151 tors. eta vs tors. theta energy: -69.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -940.492941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.492941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.492941 (E_RNA) where: Base-Base interactions energy: -476.363 where: short stacking energy: -265.762 Base-Backbone interact. energy: 0.176 local terms energy: -464.305737 where: bonds (distance) C4'-P energy: -124.812 bonds (distance) P-C4' energy: -143.121 flat angles C4'-P-C4' energy: -122.046 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -887.297518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.297518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.297518 (E_RNA) where: Base-Base interactions energy: -462.913 where: short stacking energy: -249.704 Base-Backbone interact. energy: -0.091 local terms energy: -424.293433 where: bonds (distance) C4'-P energy: -134.740 bonds (distance) P-C4' energy: -120.436 flat angles C4'-P-C4' energy: -107.293 flat angles P-C4'-P energy: -59.997 tors. eta vs tors. theta energy: -1.827 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: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2956.854040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.854040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.854040 (E_RNA) where: Base-Base interactions energy: -2060.965 where: short stacking energy: -846.022 Base-Backbone interact. energy: -4.405 local terms energy: -891.483850 where: bonds (distance) C4'-P energy: -149.265 bonds (distance) P-C4' energy: -169.701 flat angles C4'-P-C4' energy: -180.911 flat angles P-C4'-P energy: -134.453 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: 4 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2856.884133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.884133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.884133 (E_RNA) where: Base-Base interactions energy: -1979.797 where: short stacking energy: -842.822 Base-Backbone interact. energy: -2.741 local terms energy: -874.345702 where: bonds (distance) C4'-P energy: -159.635 bonds (distance) P-C4' energy: -164.301 flat angles C4'-P-C4' energy: -185.396 flat angles P-C4'-P energy: -119.385 tors. eta vs tors. theta energy: -245.629 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: 2 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2782.476971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.476971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.476971 (E_RNA) where: Base-Base interactions energy: -1940.437 where: short stacking energy: -800.628 Base-Backbone interact. energy: -1.564 local terms energy: -840.475914 where: bonds (distance) C4'-P energy: -158.139 bonds (distance) P-C4' energy: -175.287 flat angles C4'-P-C4' energy: -162.888 flat angles P-C4'-P energy: -107.614 tors. eta vs tors. theta energy: -236.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2513.306617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.306617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.306617 (E_RNA) where: Base-Base interactions energy: -1738.270 where: short stacking energy: -724.080 Base-Backbone interact. energy: -0.910 local terms energy: -774.126556 where: bonds (distance) C4'-P energy: -148.522 bonds (distance) P-C4' energy: -165.009 flat angles C4'-P-C4' energy: -167.064 flat angles P-C4'-P energy: -107.115 tors. eta vs tors. theta energy: -186.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2340.806049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.806049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.806049 (E_RNA) where: Base-Base interactions energy: -1600.254 where: short stacking energy: -689.273 Base-Backbone interact. energy: -1.820 local terms energy: -738.732394 where: bonds (distance) C4'-P energy: -129.448 bonds (distance) P-C4' energy: -150.153 flat angles C4'-P-C4' energy: -166.570 flat angles P-C4'-P energy: -104.909 tors. eta vs tors. theta energy: -187.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2155.368903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.368903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.368903 (E_RNA) where: Base-Base interactions energy: -1434.745 where: short stacking energy: -616.434 Base-Backbone interact. energy: -0.542 local terms energy: -720.081718 where: bonds (distance) C4'-P energy: -146.134 bonds (distance) P-C4' energy: -148.005 flat angles C4'-P-C4' energy: -165.308 flat angles P-C4'-P energy: -114.461 tors. eta vs tors. theta energy: -146.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1921.156985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.156985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.156985 (E_RNA) where: Base-Base interactions energy: -1257.110 where: short stacking energy: -530.416 Base-Backbone interact. energy: -2.970 local terms energy: -661.077764 where: bonds (distance) C4'-P energy: -133.224 bonds (distance) P-C4' energy: -149.485 flat angles C4'-P-C4' energy: -143.154 flat angles P-C4'-P energy: -97.217 tors. eta vs tors. theta energy: -137.997 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: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1476.397459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.397459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.397459 (E_RNA) where: Base-Base interactions energy: -924.446 where: short stacking energy: -416.577 Base-Backbone interact. energy: -1.500 local terms energy: -550.452044 where: bonds (distance) C4'-P energy: -117.923 bonds (distance) P-C4' energy: -139.350 flat angles C4'-P-C4' energy: -135.489 flat angles P-C4'-P energy: -80.986 tors. eta vs tors. theta energy: -76.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -898.847267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.847267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.847267 (E_RNA) where: Base-Base interactions energy: -459.244 where: short stacking energy: -262.015 Base-Backbone interact. energy: 7.195 local terms energy: -446.798318 where: bonds (distance) C4'-P energy: -116.940 bonds (distance) P-C4' energy: -135.641 flat angles C4'-P-C4' energy: -112.542 flat angles P-C4'-P energy: -80.423 tors. eta vs tors. theta energy: -1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -928.461007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.461007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.461007 (E_RNA) where: Base-Base interactions energy: -471.178 where: short stacking energy: -254.433 Base-Backbone interact. energy: -2.139 local terms energy: -455.144582 where: bonds (distance) C4'-P energy: -131.703 bonds (distance) P-C4' energy: -140.859 flat angles C4'-P-C4' energy: -120.217 flat angles P-C4'-P energy: -68.995 tors. eta vs tors. theta energy: 6.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2945.273951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.273951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.273951 (E_RNA) where: Base-Base interactions energy: -2060.916 where: short stacking energy: -830.165 Base-Backbone interact. energy: -5.573 local terms energy: -878.785421 where: bonds (distance) C4'-P energy: -171.079 bonds (distance) P-C4' energy: -149.446 flat angles C4'-P-C4' energy: -200.149 flat angles P-C4'-P energy: -116.454 tors. eta vs tors. theta energy: -241.657 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: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2865.255792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.255792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.255792 (E_RNA) where: Base-Base interactions energy: -1969.217 where: short stacking energy: -861.945 Base-Backbone interact. energy: -1.962 local terms energy: -894.075822 where: bonds (distance) C4'-P energy: -155.453 bonds (distance) P-C4' energy: -152.782 flat angles C4'-P-C4' energy: -193.112 flat angles P-C4'-P energy: -121.631 tors. eta vs tors. theta energy: -271.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2769.038309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.038309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.038309 (E_RNA) where: Base-Base interactions energy: -1962.025 where: short stacking energy: -793.673 Base-Backbone interact. energy: -2.570 local terms energy: -804.442802 where: bonds (distance) C4'-P energy: -153.502 bonds (distance) P-C4' energy: -145.629 flat angles C4'-P-C4' energy: -168.661 flat angles P-C4'-P energy: -106.079 tors. eta vs tors. theta energy: -230.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2553.805550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.805550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.805550 (E_RNA) where: Base-Base interactions energy: -1770.382 where: short stacking energy: -754.776 Base-Backbone interact. energy: -1.487 local terms energy: -781.936479 where: bonds (distance) C4'-P energy: -128.829 bonds (distance) P-C4' energy: -158.500 flat angles C4'-P-C4' energy: -167.467 flat angles P-C4'-P energy: -120.857 tors. eta vs tors. theta energy: -206.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2420.066081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.066081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.066081 (E_RNA) where: Base-Base interactions energy: -1666.748 where: short stacking energy: -718.476 Base-Backbone interact. energy: 0.839 local terms energy: -754.156649 where: bonds (distance) C4'-P energy: -128.284 bonds (distance) P-C4' energy: -155.164 flat angles C4'-P-C4' energy: -165.134 flat angles P-C4'-P energy: -105.976 tors. eta vs tors. theta energy: -199.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2136.025418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.025418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.025418 (E_RNA) where: Base-Base interactions energy: -1438.436 where: short stacking energy: -608.261 Base-Backbone interact. energy: 1.074 local terms energy: -698.663149 where: bonds (distance) C4'-P energy: -155.592 bonds (distance) P-C4' energy: -134.536 flat angles C4'-P-C4' energy: -154.660 flat angles P-C4'-P energy: -84.522 tors. eta vs tors. theta energy: -169.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1915.528703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.528703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.528703 (E_RNA) where: Base-Base interactions energy: -1261.254 where: short stacking energy: -526.790 Base-Backbone interact. energy: -3.804 local terms energy: -650.470962 where: bonds (distance) C4'-P energy: -120.697 bonds (distance) P-C4' energy: -145.070 flat angles C4'-P-C4' energy: -148.239 flat angles P-C4'-P energy: -101.669 tors. eta vs tors. theta energy: -134.796 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: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1494.801947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.801947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.801947 (E_RNA) where: Base-Base interactions energy: -930.454 where: short stacking energy: -435.417 Base-Backbone interact. energy: -0.552 local terms energy: -563.796874 where: bonds (distance) C4'-P energy: -138.648 bonds (distance) P-C4' energy: -130.278 flat angles C4'-P-C4' energy: -136.236 flat angles P-C4'-P energy: -70.724 tors. eta vs tors. theta energy: -87.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -888.748289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.748289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.748289 (E_RNA) where: Base-Base interactions energy: -465.617 where: short stacking energy: -283.131 Base-Backbone interact. energy: 3.027 local terms energy: -426.158201 where: bonds (distance) C4'-P energy: -135.496 bonds (distance) P-C4' energy: -136.786 flat angles C4'-P-C4' energy: -101.244 flat angles P-C4'-P energy: -45.667 tors. eta vs tors. theta energy: -6.965 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: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -824.516477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.516477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.516477 (E_RNA) where: Base-Base interactions energy: -398.699 where: short stacking energy: -247.718 Base-Backbone interact. energy: -0.420 local terms energy: -425.397025 where: bonds (distance) C4'-P energy: -127.459 bonds (distance) P-C4' energy: -141.186 flat angles C4'-P-C4' energy: -114.651 flat angles P-C4'-P energy: -58.052 tors. eta vs tors. theta energy: 15.952 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: 5 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2937.945381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.945381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.945381 (E_RNA) where: Base-Base interactions energy: -2036.536 where: short stacking energy: -820.596 Base-Backbone interact. energy: -4.565 local terms energy: -896.844803 where: bonds (distance) C4'-P energy: -161.723 bonds (distance) P-C4' energy: -173.253 flat angles C4'-P-C4' energy: -186.389 flat angles P-C4'-P energy: -129.708 tors. eta vs tors. theta energy: -245.772 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: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2873.414639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.414639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.414639 (E_RNA) where: Base-Base interactions energy: -1978.072 where: short stacking energy: -850.252 Base-Backbone interact. energy: -3.422 local terms energy: -891.920390 where: bonds (distance) C4'-P energy: -159.345 bonds (distance) P-C4' energy: -156.167 flat angles C4'-P-C4' energy: -194.776 flat angles P-C4'-P energy: -125.880 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: 3, replica: 2 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2722.573577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.573577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.573577 (E_RNA) where: Base-Base interactions energy: -1894.366 where: short stacking energy: -788.113 Base-Backbone interact. energy: -3.751 local terms energy: -824.456477 where: bonds (distance) C4'-P energy: -148.982 bonds (distance) P-C4' energy: -156.214 flat angles C4'-P-C4' energy: -183.650 flat angles P-C4'-P energy: -105.473 tors. eta vs tors. theta energy: -230.137 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: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2528.908096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.908096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.908096 (E_RNA) where: Base-Base interactions energy: -1737.598 where: short stacking energy: -720.106 Base-Backbone interact. energy: -4.248 local terms energy: -787.062569 where: bonds (distance) C4'-P energy: -142.087 bonds (distance) P-C4' energy: -160.192 flat angles C4'-P-C4' energy: -165.205 flat angles P-C4'-P energy: -109.668 tors. eta vs tors. theta energy: -209.911 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: 9 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2299.235690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.235690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.235690 (E_RNA) where: Base-Base interactions energy: -1556.903 where: short stacking energy: -663.846 Base-Backbone interact. energy: 2.629 local terms energy: -744.961832 where: bonds (distance) C4'-P energy: -154.247 bonds (distance) P-C4' energy: -142.015 flat angles C4'-P-C4' energy: -176.378 flat angles P-C4'-P energy: -102.003 tors. eta vs tors. theta energy: -170.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2090.918760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.918760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.918760 (E_RNA) where: Base-Base interactions energy: -1417.059 where: short stacking energy: -606.375 Base-Backbone interact. energy: -1.935 local terms energy: -671.924606 where: bonds (distance) C4'-P energy: -121.003 bonds (distance) P-C4' energy: -152.127 flat angles C4'-P-C4' energy: -153.071 flat angles P-C4'-P energy: -85.173 tors. eta vs tors. theta energy: -160.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1859.395093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.395093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.395093 (E_RNA) where: Base-Base interactions energy: -1166.206 where: short stacking energy: -540.619 Base-Backbone interact. energy: -3.423 local terms energy: -689.766226 where: bonds (distance) C4'-P energy: -142.236 bonds (distance) P-C4' energy: -169.184 flat angles C4'-P-C4' energy: -145.328 flat angles P-C4'-P energy: -92.735 tors. eta vs tors. theta energy: -140.283 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: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1426.434129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.434129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.434129 (E_RNA) where: Base-Base interactions energy: -892.567 where: short stacking energy: -392.199 Base-Backbone interact. energy: 5.132 local terms energy: -538.998767 where: bonds (distance) C4'-P energy: -118.681 bonds (distance) P-C4' energy: -135.143 flat angles C4'-P-C4' energy: -128.666 flat angles P-C4'-P energy: -88.644 tors. eta vs tors. theta energy: -67.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -961.232050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.232050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.232050 (E_RNA) where: Base-Base interactions energy: -509.297 where: short stacking energy: -283.734 Base-Backbone interact. energy: 5.291 local terms energy: -457.225688 where: bonds (distance) C4'-P energy: -112.699 bonds (distance) P-C4' energy: -128.879 flat angles C4'-P-C4' energy: -133.005 flat angles P-C4'-P energy: -71.066 tors. eta vs tors. theta energy: -11.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -819.413698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.413698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.413698 (E_RNA) where: Base-Base interactions energy: -408.056 where: short stacking energy: -225.221 Base-Backbone interact. energy: -0.410 local terms energy: -410.947469 where: bonds (distance) C4'-P energy: -126.732 bonds (distance) P-C4' energy: -137.590 flat angles C4'-P-C4' energy: -114.640 flat angles P-C4'-P energy: -52.406 tors. eta vs tors. theta energy: 20.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2946.317446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.317446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.317446 (E_RNA) where: Base-Base interactions energy: -2054.022 where: short stacking energy: -842.342 Base-Backbone interact. energy: -0.878 local terms energy: -891.417099 where: bonds (distance) C4'-P energy: -157.737 bonds (distance) P-C4' energy: -157.158 flat angles C4'-P-C4' energy: -192.983 flat angles P-C4'-P energy: -137.629 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: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2902.792522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.792522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.792522 (E_RNA) where: Base-Base interactions energy: -2014.773 where: short stacking energy: -852.707 Base-Backbone interact. energy: -4.428 local terms energy: -883.592312 where: bonds (distance) C4'-P energy: -152.727 bonds (distance) P-C4' energy: -175.886 flat angles C4'-P-C4' energy: -182.862 flat angles P-C4'-P energy: -122.016 tors. eta vs tors. theta energy: -250.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2715.418527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.418527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.418527 (E_RNA) where: Base-Base interactions energy: -1870.161 where: short stacking energy: -757.866 Base-Backbone interact. energy: -5.284 local terms energy: -839.973477 where: bonds (distance) C4'-P energy: -137.674 bonds (distance) P-C4' energy: -171.063 flat angles C4'-P-C4' energy: -183.321 flat angles P-C4'-P energy: -121.885 tors. eta vs tors. theta energy: -226.031 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: 425 Temperature: 1.050000 Total energy: -2501.906472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.906472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.906472 (E_RNA) where: Base-Base interactions energy: -1734.682 where: short stacking energy: -737.501 Base-Backbone interact. energy: -6.698 local terms energy: -760.526502 where: bonds (distance) C4'-P energy: -137.830 bonds (distance) P-C4' energy: -134.138 flat angles C4'-P-C4' energy: -174.250 flat angles P-C4'-P energy: -97.511 tors. eta vs tors. theta energy: -216.798 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: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2311.070389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.070389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.070389 (E_RNA) where: Base-Base interactions energy: -1575.694 where: short stacking energy: -676.300 Base-Backbone interact. energy: 7.352 local terms energy: -742.728359 where: bonds (distance) C4'-P energy: -154.507 bonds (distance) P-C4' energy: -137.448 flat angles C4'-P-C4' energy: -166.667 flat angles P-C4'-P energy: -101.392 tors. eta vs tors. theta energy: -182.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2110.653305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.653305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.653305 (E_RNA) where: Base-Base interactions energy: -1397.171 where: short stacking energy: -608.547 Base-Backbone interact. energy: -3.713 local terms energy: -709.769540 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -147.935 flat angles C4'-P-C4' energy: -171.939 flat angles P-C4'-P energy: -88.235 tors. eta vs tors. theta energy: -177.176 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: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1893.898082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.898082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.898082 (E_RNA) where: Base-Base interactions energy: -1248.583 where: short stacking energy: -582.609 Base-Backbone interact. energy: -4.923 local terms energy: -640.392335 where: bonds (distance) C4'-P energy: -145.564 bonds (distance) P-C4' energy: -141.464 flat angles C4'-P-C4' energy: -129.991 flat angles P-C4'-P energy: -72.636 tors. eta vs tors. theta energy: -150.737 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: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1455.978493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.978493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.978493 (E_RNA) where: Base-Base interactions energy: -887.370 where: short stacking energy: -421.537 Base-Backbone interact. energy: 1.034 local terms energy: -569.642747 where: bonds (distance) C4'-P energy: -126.931 bonds (distance) P-C4' energy: -139.745 flat angles C4'-P-C4' energy: -146.734 flat angles P-C4'-P energy: -78.370 tors. eta vs tors. theta energy: -77.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1045.113603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.113603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.113603 (E_RNA) where: Base-Base interactions energy: -537.663 where: short stacking energy: -293.722 Base-Backbone interact. energy: -0.727 local terms energy: -506.722829 where: bonds (distance) C4'-P energy: -150.468 bonds (distance) P-C4' energy: -123.923 flat angles C4'-P-C4' energy: -135.916 flat angles P-C4'-P energy: -70.129 tors. eta vs tors. theta energy: -26.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -807.995264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.995264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.995264 (E_RNA) where: Base-Base interactions energy: -397.089 where: short stacking energy: -221.149 Base-Backbone interact. energy: 6.981 local terms energy: -417.887518 where: bonds (distance) C4'-P energy: -127.115 bonds (distance) P-C4' energy: -135.275 flat angles C4'-P-C4' energy: -109.593 flat angles P-C4'-P energy: -66.784 tors. eta vs tors. theta energy: 20.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2972.624609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.624609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.624609 (E_RNA) where: Base-Base interactions energy: -2065.039 where: short stacking energy: -869.916 Base-Backbone interact. energy: 0.766 local terms energy: -908.352319 where: bonds (distance) C4'-P energy: -165.355 bonds (distance) P-C4' energy: -164.390 flat angles C4'-P-C4' energy: -195.468 flat angles P-C4'-P energy: -127.167 tors. eta vs tors. theta energy: -255.972 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: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2878.111155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.111155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.111155 (E_RNA) where: Base-Base interactions energy: -1989.430 where: short stacking energy: -831.291 Base-Backbone interact. energy: -0.945 local terms energy: -887.735742 where: bonds (distance) C4'-P energy: -156.147 bonds (distance) P-C4' energy: -159.808 flat angles C4'-P-C4' energy: -188.660 flat angles P-C4'-P energy: -127.290 tors. eta vs tors. theta energy: -255.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2743.892027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.892027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.892027 (E_RNA) where: Base-Base interactions energy: -1895.104 where: short stacking energy: -765.020 Base-Backbone interact. energy: -3.052 local terms energy: -845.736366 where: bonds (distance) C4'-P energy: -158.579 bonds (distance) P-C4' energy: -169.998 flat angles C4'-P-C4' energy: -192.466 flat angles P-C4'-P energy: -105.012 tors. eta vs tors. theta energy: -219.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2536.620568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.620568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.620568 (E_RNA) where: Base-Base interactions energy: -1749.588 where: short stacking energy: -719.970 Base-Backbone interact. energy: -1.390 local terms energy: -785.642748 where: bonds (distance) C4'-P energy: -151.345 bonds (distance) P-C4' energy: -142.664 flat angles C4'-P-C4' energy: -167.618 flat angles P-C4'-P energy: -121.326 tors. eta vs tors. theta energy: -202.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2309.875835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.875835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.875835 (E_RNA) where: Base-Base interactions energy: -1536.485 where: short stacking energy: -688.640 Base-Backbone interact. energy: -1.686 local terms energy: -771.704446 where: bonds (distance) C4'-P energy: -147.358 bonds (distance) P-C4' energy: -149.700 flat angles C4'-P-C4' energy: -173.431 flat angles P-C4'-P energy: -107.148 tors. eta vs tors. theta energy: -194.067 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: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2103.633217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.633217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.633217 (E_RNA) where: Base-Base interactions energy: -1410.058 where: short stacking energy: -568.285 Base-Backbone interact. energy: -1.131 local terms energy: -692.444565 where: bonds (distance) C4'-P energy: -151.075 bonds (distance) P-C4' energy: -145.219 flat angles C4'-P-C4' energy: -145.288 flat angles P-C4'-P energy: -90.645 tors. eta vs tors. theta energy: -160.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1856.098055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.098055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.098055 (E_RNA) where: Base-Base interactions energy: -1210.868 where: short stacking energy: -520.846 Base-Backbone interact. energy: 0.985 local terms energy: -646.214609 where: bonds (distance) C4'-P energy: -142.017 bonds (distance) P-C4' energy: -143.826 flat angles C4'-P-C4' energy: -156.468 flat angles P-C4'-P energy: -84.593 tors. eta vs tors. theta energy: -119.310 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: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1458.092996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.092996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.092996 (E_RNA) where: Base-Base interactions energy: -844.969 where: short stacking energy: -395.516 Base-Backbone interact. energy: 3.700 local terms energy: -616.824181 where: bonds (distance) C4'-P energy: -153.713 bonds (distance) P-C4' energy: -154.450 flat angles C4'-P-C4' energy: -145.646 flat angles P-C4'-P energy: -88.150 tors. eta vs tors. theta energy: -74.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -966.471441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.471441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.471441 (E_RNA) where: Base-Base interactions energy: -476.737 where: short stacking energy: -261.566 Base-Backbone interact. energy: 1.402 local terms energy: -491.136750 where: bonds (distance) C4'-P energy: -152.489 bonds (distance) P-C4' energy: -139.757 flat angles C4'-P-C4' energy: -111.389 flat angles P-C4'-P energy: -80.578 tors. eta vs tors. theta energy: -6.923 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: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -802.354949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.354949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.354949 (E_RNA) where: Base-Base interactions energy: -364.778 where: short stacking energy: -216.621 Base-Backbone interact. energy: 3.271 local terms energy: -440.848063 where: bonds (distance) C4'-P energy: -130.195 bonds (distance) P-C4' energy: -162.933 flat angles C4'-P-C4' energy: -111.458 flat angles P-C4'-P energy: -54.816 tors. eta vs tors. theta energy: 18.554 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: 1, replica: 5 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2980.026381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.026381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.026381 (E_RNA) where: Base-Base interactions energy: -2077.538 where: short stacking energy: -847.860 Base-Backbone interact. energy: -0.663 local terms energy: -901.824995 where: bonds (distance) C4'-P energy: -169.246 bonds (distance) P-C4' energy: -167.464 flat angles C4'-P-C4' energy: -196.094 flat angles P-C4'-P energy: -124.139 tors. eta vs tors. theta energy: -244.881 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: 427 Temperature: 0.950000 Total energy: -2845.770556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.770556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.770556 (E_RNA) where: Base-Base interactions energy: -1962.582 where: short stacking energy: -825.541 Base-Backbone interact. energy: -2.633 local terms energy: -880.555703 where: bonds (distance) C4'-P energy: -158.861 bonds (distance) P-C4' energy: -178.420 flat angles C4'-P-C4' energy: -168.166 flat angles P-C4'-P energy: -128.826 tors. eta vs tors. theta energy: -246.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2732.964491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.964491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.964491 (E_RNA) where: Base-Base interactions energy: -1915.350 where: short stacking energy: -764.310 Base-Backbone interact. energy: -0.989 local terms energy: -816.625358 where: bonds (distance) C4'-P energy: -138.744 bonds (distance) P-C4' energy: -164.256 flat angles C4'-P-C4' energy: -179.806 flat angles P-C4'-P energy: -115.909 tors. eta vs tors. theta energy: -217.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2525.809749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.809749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.809749 (E_RNA) where: Base-Base interactions energy: -1762.658 where: short stacking energy: -735.998 Base-Backbone interact. energy: 1.099 local terms energy: -764.250853 where: bonds (distance) C4'-P energy: -150.572 bonds (distance) P-C4' energy: -150.862 flat angles C4'-P-C4' energy: -162.669 flat angles P-C4'-P energy: -104.017 tors. eta vs tors. theta energy: -196.130 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: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2343.089508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.089508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.089508 (E_RNA) where: Base-Base interactions energy: -1579.318 where: short stacking energy: -700.611 Base-Backbone interact. energy: -4.408 local terms energy: -759.363579 where: bonds (distance) C4'-P energy: -136.793 bonds (distance) P-C4' energy: -155.213 flat angles C4'-P-C4' energy: -168.418 flat angles P-C4'-P energy: -104.413 tors. eta vs tors. theta energy: -194.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2156.766510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.766510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.766510 (E_RNA) where: Base-Base interactions energy: -1465.743 where: short stacking energy: -628.881 Base-Backbone interact. energy: -5.095 local terms energy: -685.929078 where: bonds (distance) C4'-P energy: -126.394 bonds (distance) P-C4' energy: -158.499 flat angles C4'-P-C4' energy: -145.471 flat angles P-C4'-P energy: -91.727 tors. eta vs tors. theta energy: -163.838 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: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1837.098293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.098293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.098293 (E_RNA) where: Base-Base interactions energy: -1218.160 where: short stacking energy: -547.576 Base-Backbone interact. energy: -0.828 local terms energy: -618.110608 where: bonds (distance) C4'-P energy: -138.208 bonds (distance) P-C4' energy: -135.801 flat angles C4'-P-C4' energy: -137.884 flat angles P-C4'-P energy: -71.553 tors. eta vs tors. theta energy: -134.664 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: 1 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1490.012805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.012805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.012805 (E_RNA) where: Base-Base interactions energy: -940.591 where: short stacking energy: -439.754 Base-Backbone interact. energy: 3.564 local terms energy: -552.985850 where: bonds (distance) C4'-P energy: -133.074 bonds (distance) P-C4' energy: -137.344 flat angles C4'-P-C4' energy: -138.278 flat angles P-C4'-P energy: -71.641 tors. eta vs tors. theta energy: -72.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -963.836375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.836375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.836375 (E_RNA) where: Base-Base interactions energy: -512.168 where: short stacking energy: -286.311 Base-Backbone interact. energy: -1.633 local terms energy: -450.035151 where: bonds (distance) C4'-P energy: -118.050 bonds (distance) P-C4' energy: -124.291 flat angles C4'-P-C4' energy: -115.391 flat angles P-C4'-P energy: -74.115 tors. eta vs tors. theta energy: -18.188 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: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -830.448308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.448308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.448308 (E_RNA) where: Base-Base interactions energy: -379.271 where: short stacking energy: -183.708 Base-Backbone interact. energy: -3.848 local terms energy: -447.329389 where: bonds (distance) C4'-P energy: -124.622 bonds (distance) P-C4' energy: -137.827 flat angles C4'-P-C4' energy: -127.657 flat angles P-C4'-P energy: -76.384 tors. eta vs tors. theta energy: 19.160 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: 1, replica: 5 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2992.336235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.336235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.336235 (E_RNA) where: Base-Base interactions energy: -2111.036 where: short stacking energy: -857.624 Base-Backbone interact. energy: -3.715 local terms energy: -877.584916 where: bonds (distance) C4'-P energy: -155.395 bonds (distance) P-C4' energy: -154.328 flat angles C4'-P-C4' energy: -187.397 flat angles P-C4'-P energy: -124.779 tors. eta vs tors. theta energy: -255.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2866.220043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.220043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.220043 (E_RNA) where: Base-Base interactions energy: -1979.119 where: short stacking energy: -855.948 Base-Backbone interact. energy: -5.805 local terms energy: -881.295667 where: bonds (distance) C4'-P energy: -174.149 bonds (distance) P-C4' energy: -156.386 flat angles C4'-P-C4' energy: -179.813 flat angles P-C4'-P energy: -109.514 tors. eta vs tors. theta energy: -261.433 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: 2 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2724.172406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.172406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.172406 (E_RNA) where: Base-Base interactions energy: -1896.578 where: short stacking energy: -778.323 Base-Backbone interact. energy: -1.917 local terms energy: -825.677985 where: bonds (distance) C4'-P energy: -147.301 bonds (distance) P-C4' energy: -160.319 flat angles C4'-P-C4' energy: -177.697 flat angles P-C4'-P energy: -123.777 tors. eta vs tors. theta energy: -216.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2549.173909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.173909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.173909 (E_RNA) where: Base-Base interactions energy: -1763.106 where: short stacking energy: -742.984 Base-Backbone interact. energy: -0.948 local terms energy: -785.119932 where: bonds (distance) C4'-P energy: -128.578 bonds (distance) P-C4' energy: -149.970 flat angles C4'-P-C4' energy: -179.851 flat angles P-C4'-P energy: -113.713 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: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2309.866386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.866386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.866386 (E_RNA) where: Base-Base interactions energy: -1555.552 where: short stacking energy: -661.974 Base-Backbone interact. energy: -4.182 local terms energy: -750.133273 where: bonds (distance) C4'-P energy: -132.406 bonds (distance) P-C4' energy: -142.268 flat angles C4'-P-C4' energy: -179.051 flat angles P-C4'-P energy: -107.106 tors. eta vs tors. theta energy: -189.302 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: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2170.691770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.691770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.691770 (E_RNA) where: Base-Base interactions energy: -1514.355 where: short stacking energy: -603.010 Base-Backbone interact. energy: 11.197 local terms energy: -667.533225 where: bonds (distance) C4'-P energy: -136.849 bonds (distance) P-C4' energy: -141.657 flat angles C4'-P-C4' energy: -148.804 flat angles P-C4'-P energy: -88.789 tors. eta vs tors. theta energy: -151.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1853.383261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.383261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.383261 (E_RNA) where: Base-Base interactions energy: -1204.774 where: short stacking energy: -526.746 Base-Backbone interact. energy: -2.170 local terms energy: -646.438863 where: bonds (distance) C4'-P energy: -126.547 bonds (distance) P-C4' energy: -147.784 flat angles C4'-P-C4' energy: -145.238 flat angles P-C4'-P energy: -91.812 tors. eta vs tors. theta energy: -135.058 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: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1394.311289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.311289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.311289 (E_RNA) where: Base-Base interactions energy: -832.012 where: short stacking energy: -408.260 Base-Backbone interact. energy: 0.804 local terms energy: -563.102730 where: bonds (distance) C4'-P energy: -116.934 bonds (distance) P-C4' energy: -157.091 flat angles C4'-P-C4' energy: -121.721 flat angles P-C4'-P energy: -92.505 tors. eta vs tors. theta energy: -74.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -980.359333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.359333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.359333 (E_RNA) where: Base-Base interactions energy: -511.518 where: short stacking energy: -277.804 Base-Backbone interact. energy: -2.631 local terms energy: -466.211239 where: bonds (distance) C4'-P energy: -128.600 bonds (distance) P-C4' energy: -127.213 flat angles C4'-P-C4' energy: -125.260 flat angles P-C4'-P energy: -79.506 tors. eta vs tors. theta energy: -5.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -795.124653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.124653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.124653 (E_RNA) where: Base-Base interactions energy: -357.137 where: short stacking energy: -219.332 Base-Backbone interact. energy: 6.156 local terms energy: -444.142945 where: bonds (distance) C4'-P energy: -129.363 bonds (distance) P-C4' energy: -144.404 flat angles C4'-P-C4' energy: -114.310 flat angles P-C4'-P energy: -73.093 tors. eta vs tors. theta energy: 17.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2985.711330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.711330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.711330 (E_RNA) where: Base-Base interactions energy: -2075.748 where: short stacking energy: -862.385 Base-Backbone interact. energy: 1.302 local terms energy: -911.264951 where: bonds (distance) C4'-P energy: -177.339 bonds (distance) P-C4' energy: -159.861 flat angles C4'-P-C4' energy: -184.366 flat angles P-C4'-P energy: -136.424 tors. eta vs tors. theta energy: -253.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2863.252117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.252117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.252117 (E_RNA) where: Base-Base interactions energy: -1988.786 where: short stacking energy: -848.231 Base-Backbone interact. energy: -4.232 local terms energy: -870.233364 where: bonds (distance) C4'-P energy: -160.813 bonds (distance) P-C4' energy: -154.034 flat angles C4'-P-C4' energy: -181.577 flat angles P-C4'-P energy: -117.109 tors. eta vs tors. theta energy: -256.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2700.029570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.029570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.029570 (E_RNA) where: Base-Base interactions energy: -1863.291 where: short stacking energy: -768.986 Base-Backbone interact. energy: -3.187 local terms energy: -833.552083 where: bonds (distance) C4'-P energy: -155.494 bonds (distance) P-C4' energy: -157.390 flat angles C4'-P-C4' energy: -185.427 flat angles P-C4'-P energy: -116.072 tors. eta vs tors. theta energy: -219.169 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: 4, replica: 6 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2558.389103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.389103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.389103 (E_RNA) where: Base-Base interactions energy: -1756.192 where: short stacking energy: -732.031 Base-Backbone interact. energy: -1.901 local terms energy: -800.296471 where: bonds (distance) C4'-P energy: -140.276 bonds (distance) P-C4' energy: -152.453 flat angles C4'-P-C4' energy: -170.980 flat angles P-C4'-P energy: -127.241 tors. eta vs tors. theta energy: -209.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2340.681022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.681022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.681022 (E_RNA) where: Base-Base interactions energy: -1591.764 where: short stacking energy: -699.632 Base-Backbone interact. energy: -0.855 local terms energy: -748.061783 where: bonds (distance) C4'-P energy: -132.612 bonds (distance) P-C4' energy: -138.129 flat angles C4'-P-C4' energy: -163.147 flat angles P-C4'-P energy: -108.809 tors. eta vs tors. theta energy: -205.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2184.788414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.788414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.788414 (E_RNA) where: Base-Base interactions energy: -1475.322 where: short stacking energy: -618.426 Base-Backbone interact. energy: 1.967 local terms energy: -711.433191 where: bonds (distance) C4'-P energy: -133.177 bonds (distance) P-C4' energy: -164.648 flat angles C4'-P-C4' energy: -143.404 flat angles P-C4'-P energy: -93.984 tors. eta vs tors. theta energy: -176.220 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: 7, replica: 7 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1917.233558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.233558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.233558 (E_RNA) where: Base-Base interactions energy: -1270.685 where: short stacking energy: -542.577 Base-Backbone interact. energy: -0.314 local terms energy: -646.234132 where: bonds (distance) C4'-P energy: -137.207 bonds (distance) P-C4' energy: -134.683 flat angles C4'-P-C4' energy: -151.814 flat angles P-C4'-P energy: -85.463 tors. eta vs tors. theta energy: -137.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1429.491693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.491693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.491693 (E_RNA) where: Base-Base interactions energy: -849.524 where: short stacking energy: -408.068 Base-Backbone interact. energy: 1.382 local terms energy: -581.349491 where: bonds (distance) C4'-P energy: -156.722 bonds (distance) P-C4' energy: -137.984 flat angles C4'-P-C4' energy: -140.744 flat angles P-C4'-P energy: -82.541 tors. eta vs tors. theta energy: -63.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -984.294680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.294680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.294680 (E_RNA) where: Base-Base interactions energy: -479.014 where: short stacking energy: -268.186 Base-Backbone interact. energy: -1.008 local terms energy: -504.272460 where: bonds (distance) C4'-P energy: -132.534 bonds (distance) P-C4' energy: -144.386 flat angles C4'-P-C4' energy: -145.236 flat angles P-C4'-P energy: -76.575 tors. eta vs tors. theta energy: -5.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -764.708557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.708557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.708557 (E_RNA) where: Base-Base interactions energy: -364.184 where: short stacking energy: -203.020 Base-Backbone interact. energy: -4.979 local terms energy: -395.545763 where: bonds (distance) C4'-P energy: -101.358 bonds (distance) P-C4' energy: -134.762 flat angles C4'-P-C4' energy: -106.826 flat angles P-C4'-P energy: -71.602 tors. eta vs tors. theta energy: 19.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2959.628194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.628194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.628194 (E_RNA) where: Base-Base interactions energy: -2074.213 where: short stacking energy: -840.683 Base-Backbone interact. energy: -2.309 local terms energy: -883.105732 where: bonds (distance) C4'-P energy: -166.126 bonds (distance) P-C4' energy: -174.240 flat angles C4'-P-C4' energy: -182.731 flat angles P-C4'-P energy: -108.619 tors. eta vs tors. theta energy: -251.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2873.352114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.352114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.352114 (E_RNA) where: Base-Base interactions energy: -1991.409 where: short stacking energy: -837.100 Base-Backbone interact. energy: -0.988 local terms energy: -880.955506 where: bonds (distance) C4'-P energy: -153.145 bonds (distance) P-C4' energy: -163.159 flat angles C4'-P-C4' energy: -186.477 flat angles P-C4'-P energy: -129.692 tors. eta vs tors. theta energy: -248.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2755.795782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.795782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.795782 (E_RNA) where: Base-Base interactions energy: -1917.992 where: short stacking energy: -772.979 Base-Backbone interact. energy: -1.684 local terms energy: -836.119692 where: bonds (distance) C4'-P energy: -167.024 bonds (distance) P-C4' energy: -153.472 flat angles C4'-P-C4' energy: -192.143 flat angles P-C4'-P energy: -98.590 tors. eta vs tors. theta energy: -224.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2584.590360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.590360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.590360 (E_RNA) where: Base-Base interactions energy: -1771.056 where: short stacking energy: -771.792 Base-Backbone interact. energy: -1.995 local terms energy: -811.539665 where: bonds (distance) C4'-P energy: -142.086 bonds (distance) P-C4' energy: -150.333 flat angles C4'-P-C4' energy: -185.372 flat angles P-C4'-P energy: -111.358 tors. eta vs tors. theta energy: -222.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2204.932096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.932096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.932096 (E_RNA) where: Base-Base interactions energy: -1506.665 where: short stacking energy: -629.423 Base-Backbone interact. energy: -4.879 local terms energy: -693.388105 where: bonds (distance) C4'-P energy: -116.582 bonds (distance) P-C4' energy: -150.274 flat angles C4'-P-C4' energy: -156.531 flat angles P-C4'-P energy: -109.179 tors. eta vs tors. theta energy: -160.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2306.161856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.161856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.161856 (E_RNA) where: Base-Base interactions energy: -1585.646 where: short stacking energy: -652.541 Base-Backbone interact. energy: 1.639 local terms energy: -722.154574 where: bonds (distance) C4'-P energy: -132.374 bonds (distance) P-C4' energy: -139.671 flat angles C4'-P-C4' energy: -170.623 flat angles P-C4'-P energy: -90.369 tors. eta vs tors. theta energy: -189.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1944.124131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.124131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.124131 (E_RNA) where: Base-Base interactions energy: -1277.250 where: short stacking energy: -568.521 Base-Backbone interact. energy: -1.723 local terms energy: -665.151129 where: bonds (distance) C4'-P energy: -134.446 bonds (distance) P-C4' energy: -152.613 flat angles C4'-P-C4' energy: -145.297 flat angles P-C4'-P energy: -88.171 tors. eta vs tors. theta energy: -144.624 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: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1456.578888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.578888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.578888 (E_RNA) where: Base-Base interactions energy: -863.930 where: short stacking energy: -416.618 Base-Backbone interact. energy: -0.936 local terms energy: -591.713303 where: bonds (distance) C4'-P energy: -163.763 bonds (distance) P-C4' energy: -142.813 flat angles C4'-P-C4' energy: -141.698 flat angles P-C4'-P energy: -72.476 tors. eta vs tors. theta energy: -70.963 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: 9, replica: 10 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -914.177835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.177835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.177835 (E_RNA) where: Base-Base interactions energy: -467.024 where: short stacking energy: -259.347 Base-Backbone interact. energy: -0.628 local terms energy: -446.526205 where: bonds (distance) C4'-P energy: -116.426 bonds (distance) P-C4' energy: -143.335 flat angles C4'-P-C4' energy: -115.069 flat angles P-C4'-P energy: -72.666 tors. eta vs tors. theta energy: 0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -832.505607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.505607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.505607 (E_RNA) where: Base-Base interactions energy: -387.142 where: short stacking energy: -215.827 Base-Backbone interact. energy: 3.687 local terms energy: -449.049816 where: bonds (distance) C4'-P energy: -138.280 bonds (distance) P-C4' energy: -140.125 flat angles C4'-P-C4' energy: -123.377 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: 20.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3004.307806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.307806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.307806 (E_RNA) where: Base-Base interactions energy: -2124.954 where: short stacking energy: -850.790 Base-Backbone interact. energy: -4.645 local terms energy: -874.708432 where: bonds (distance) C4'-P energy: -148.538 bonds (distance) P-C4' energy: -155.623 flat angles C4'-P-C4' energy: -196.972 flat angles P-C4'-P energy: -116.752 tors. eta vs tors. theta energy: -256.824 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: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2883.691389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.691389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.691389 (E_RNA) where: Base-Base interactions energy: -2009.856 where: short stacking energy: -841.798 Base-Backbone interact. energy: -1.604 local terms energy: -872.231201 where: bonds (distance) C4'-P energy: -164.363 bonds (distance) P-C4' energy: -153.276 flat angles C4'-P-C4' energy: -192.895 flat angles P-C4'-P energy: -110.871 tors. eta vs tors. theta energy: -250.826 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: 3, replica: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2745.967427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.967427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.967427 (E_RNA) where: Base-Base interactions energy: -1910.189 where: short stacking energy: -756.082 Base-Backbone interact. energy: -4.054 local terms energy: -831.723514 where: bonds (distance) C4'-P energy: -154.633 bonds (distance) P-C4' energy: -152.641 flat angles C4'-P-C4' energy: -172.475 flat angles P-C4'-P energy: -130.551 tors. eta vs tors. theta energy: -221.423 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: 4, replica: 6 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2577.811800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.811800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.811800 (E_RNA) where: Base-Base interactions energy: -1794.317 where: short stacking energy: -735.710 Base-Backbone interact. energy: -0.449 local terms energy: -783.046041 where: bonds (distance) C4'-P energy: -154.127 bonds (distance) P-C4' energy: -132.778 flat angles C4'-P-C4' energy: -168.367 flat angles P-C4'-P energy: -107.868 tors. eta vs tors. theta energy: -219.907 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: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2288.400132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.400132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.400132 (E_RNA) where: Base-Base interactions energy: -1536.288 where: short stacking energy: -651.778 Base-Backbone interact. energy: -0.409 local terms energy: -751.703540 where: bonds (distance) C4'-P energy: -145.755 bonds (distance) P-C4' energy: -153.534 flat angles C4'-P-C4' energy: -166.178 flat angles P-C4'-P energy: -111.965 tors. eta vs tors. theta energy: -174.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2274.507461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.507461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.507461 (E_RNA) where: Base-Base interactions energy: -1521.832 where: short stacking energy: -669.899 Base-Backbone interact. energy: -5.586 local terms energy: -747.089528 where: bonds (distance) C4'-P energy: -135.661 bonds (distance) P-C4' energy: -140.819 flat angles C4'-P-C4' energy: -156.557 flat angles P-C4'-P energy: -124.903 tors. eta vs tors. theta energy: -189.149 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: 7 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1918.595311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.595311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.595311 (E_RNA) where: Base-Base interactions energy: -1276.869 where: short stacking energy: -562.152 Base-Backbone interact. energy: 8.532 local terms energy: -650.258821 where: bonds (distance) C4'-P energy: -128.488 bonds (distance) P-C4' energy: -128.247 flat angles C4'-P-C4' energy: -138.950 flat angles P-C4'-P energy: -112.521 tors. eta vs tors. theta energy: -142.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1504.289414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.289414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.289414 (E_RNA) where: Base-Base interactions energy: -915.640 where: short stacking energy: -442.860 Base-Backbone interact. energy: -3.064 local terms energy: -585.584671 where: bonds (distance) C4'-P energy: -159.000 bonds (distance) P-C4' energy: -137.375 flat angles C4'-P-C4' energy: -133.819 flat angles P-C4'-P energy: -77.479 tors. eta vs tors. theta energy: -77.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -925.621409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.621409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.621409 (E_RNA) where: Base-Base interactions energy: -456.543 where: short stacking energy: -269.143 Base-Backbone interact. energy: -2.527 local terms energy: -466.551714 where: bonds (distance) C4'-P energy: -127.383 bonds (distance) P-C4' energy: -127.980 flat angles C4'-P-C4' energy: -122.353 flat angles P-C4'-P energy: -81.363 tors. eta vs tors. theta energy: -7.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -836.729843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.729843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.729843 (E_RNA) where: Base-Base interactions energy: -382.846 where: short stacking energy: -208.449 Base-Backbone interact. energy: 0.920 local terms energy: -454.803043 where: bonds (distance) C4'-P energy: -129.862 bonds (distance) P-C4' energy: -141.986 flat angles C4'-P-C4' energy: -103.332 flat angles P-C4'-P energy: -73.321 tors. eta vs tors. theta energy: -6.302 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: 1, replica: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3001.393573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.393573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.393573 (E_RNA) where: Base-Base interactions energy: -2121.588 where: short stacking energy: -851.819 Base-Backbone interact. energy: -3.332 local terms energy: -876.473475 where: bonds (distance) C4'-P energy: -158.663 bonds (distance) P-C4' energy: -159.412 flat angles C4'-P-C4' energy: -177.735 flat angles P-C4'-P energy: -131.285 tors. eta vs tors. theta energy: -249.379 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: 432 Temperature: 0.950000 Total energy: -2862.784324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.784324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.784324 (E_RNA) where: Base-Base interactions energy: -2004.402 where: short stacking energy: -818.577 Base-Backbone interact. energy: -1.345 local terms energy: -857.037479 where: bonds (distance) C4'-P energy: -153.858 bonds (distance) P-C4' energy: -142.980 flat angles C4'-P-C4' energy: -184.193 flat angles P-C4'-P energy: -122.327 tors. eta vs tors. theta energy: -253.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2743.210923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.210923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.210923 (E_RNA) where: Base-Base interactions energy: -1905.505 where: short stacking energy: -769.743 Base-Backbone interact. energy: 1.067 local terms energy: -838.773697 where: bonds (distance) C4'-P energy: -160.774 bonds (distance) P-C4' energy: -144.377 flat angles C4'-P-C4' energy: -187.650 flat angles P-C4'-P energy: -138.946 tors. eta vs tors. theta energy: -207.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2595.413917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.413917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.413917 (E_RNA) where: Base-Base interactions energy: -1792.598 where: short stacking energy: -739.122 Base-Backbone interact. energy: -2.086 local terms energy: -800.730052 where: bonds (distance) C4'-P energy: -148.407 bonds (distance) P-C4' energy: -154.687 flat angles C4'-P-C4' energy: -169.064 flat angles P-C4'-P energy: -113.991 tors. eta vs tors. theta energy: -214.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2356.983201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.983201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.983201 (E_RNA) where: Base-Base interactions energy: -1609.723 where: short stacking energy: -700.407 Base-Backbone interact. energy: -3.162 local terms energy: -744.099115 where: bonds (distance) C4'-P energy: -145.612 bonds (distance) P-C4' energy: -151.171 flat angles C4'-P-C4' energy: -165.294 flat angles P-C4'-P energy: -94.095 tors. eta vs tors. theta energy: -187.926 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: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2243.762391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.762391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.762391 (E_RNA) where: Base-Base interactions energy: -1554.697 where: short stacking energy: -649.137 Base-Backbone interact. energy: 0.193 local terms energy: -689.257706 where: bonds (distance) C4'-P energy: -127.371 bonds (distance) P-C4' energy: -139.170 flat angles C4'-P-C4' energy: -160.376 flat angles P-C4'-P energy: -103.560 tors. eta vs tors. theta energy: -158.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1933.030396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.030396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.030396 (E_RNA) where: Base-Base interactions energy: -1236.020 where: short stacking energy: -567.212 Base-Backbone interact. energy: 0.298 local terms energy: -697.308245 where: bonds (distance) C4'-P energy: -135.578 bonds (distance) P-C4' energy: -148.142 flat angles C4'-P-C4' energy: -158.520 flat angles P-C4'-P energy: -100.898 tors. eta vs tors. theta energy: -154.171 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: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1558.236216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.236216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.236216 (E_RNA) where: Base-Base interactions energy: -971.931 where: short stacking energy: -424.294 Base-Backbone interact. energy: -0.410 local terms energy: -585.895182 where: bonds (distance) C4'-P energy: -111.220 bonds (distance) P-C4' energy: -147.012 flat angles C4'-P-C4' energy: -151.184 flat angles P-C4'-P energy: -81.884 tors. eta vs tors. theta energy: -94.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1022.372859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.372859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.372859 (E_RNA) where: Base-Base interactions energy: -547.742 where: short stacking energy: -301.258 Base-Backbone interact. energy: -4.459 local terms energy: -470.171914 where: bonds (distance) C4'-P energy: -122.132 bonds (distance) P-C4' energy: -121.768 flat angles C4'-P-C4' energy: -125.343 flat angles P-C4'-P energy: -86.183 tors. eta vs tors. theta energy: -14.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -767.711713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.711713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.711713 (E_RNA) where: Base-Base interactions energy: -335.073 where: short stacking energy: -201.814 Base-Backbone interact. energy: -1.760 local terms energy: -430.878320 where: bonds (distance) C4'-P energy: -135.653 bonds (distance) P-C4' energy: -128.396 flat angles C4'-P-C4' energy: -118.620 flat angles P-C4'-P energy: -74.994 tors. eta vs tors. theta energy: 26.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2995.973112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.973112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.973112 (E_RNA) where: Base-Base interactions energy: -2098.300 where: short stacking energy: -853.169 Base-Backbone interact. energy: -3.489 local terms energy: -894.183722 where: bonds (distance) C4'-P energy: -155.470 bonds (distance) P-C4' energy: -169.036 flat angles C4'-P-C4' energy: -186.990 flat angles P-C4'-P energy: -128.300 tors. eta vs tors. theta energy: -254.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2849.327203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.327203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.327203 (E_RNA) where: Base-Base interactions energy: -1982.440 where: short stacking energy: -801.635 Base-Backbone interact. energy: -0.427 local terms energy: -866.460376 where: bonds (distance) C4'-P energy: -153.581 bonds (distance) P-C4' energy: -151.518 flat angles C4'-P-C4' energy: -193.616 flat angles P-C4'-P energy: -124.603 tors. eta vs tors. theta energy: -243.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2720.881947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.881947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.881947 (E_RNA) where: Base-Base interactions energy: -1907.333 where: short stacking energy: -770.700 Base-Backbone interact. energy: -3.065 local terms energy: -810.483366 where: bonds (distance) C4'-P energy: -154.346 bonds (distance) P-C4' energy: -145.318 flat angles C4'-P-C4' energy: -171.390 flat angles P-C4'-P energy: -124.609 tors. eta vs tors. theta energy: -214.820 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: 4, replica: 6 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2602.001198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.001198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.001198 (E_RNA) where: Base-Base interactions energy: -1787.491 where: short stacking energy: -751.264 Base-Backbone interact. energy: 1.918 local terms energy: -816.428246 where: bonds (distance) C4'-P energy: -159.563 bonds (distance) P-C4' energy: -156.217 flat angles C4'-P-C4' energy: -175.872 flat angles P-C4'-P energy: -112.675 tors. eta vs tors. theta energy: -212.102 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: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2320.860593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.860593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.860593 (E_RNA) where: Base-Base interactions energy: -1573.340 where: short stacking energy: -679.484 Base-Backbone interact. energy: -3.848 local terms energy: -743.671964 where: bonds (distance) C4'-P energy: -129.785 bonds (distance) P-C4' energy: -144.293 flat angles C4'-P-C4' energy: -175.051 flat angles P-C4'-P energy: -94.440 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: 6, replica: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2235.297678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.297678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.297678 (E_RNA) where: Base-Base interactions energy: -1569.638 where: short stacking energy: -637.686 Base-Backbone interact. energy: -2.147 local terms energy: -663.513197 where: bonds (distance) C4'-P energy: -128.670 bonds (distance) P-C4' energy: -137.668 flat angles C4'-P-C4' energy: -156.985 flat angles P-C4'-P energy: -72.335 tors. eta vs tors. theta energy: -167.856 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: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1906.617348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.617348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.617348 (E_RNA) where: Base-Base interactions energy: -1233.012 where: short stacking energy: -543.198 Base-Backbone interact. energy: 4.068 local terms energy: -677.673556 where: bonds (distance) C4'-P energy: -140.594 bonds (distance) P-C4' energy: -143.979 flat angles C4'-P-C4' energy: -156.016 flat angles P-C4'-P energy: -92.085 tors. eta vs tors. theta energy: -144.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1627.944493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.944493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.944493 (E_RNA) where: Base-Base interactions energy: -1047.048 where: short stacking energy: -451.090 Base-Backbone interact. energy: -1.479 local terms energy: -579.417254 where: bonds (distance) C4'-P energy: -133.924 bonds (distance) P-C4' energy: -128.234 flat angles C4'-P-C4' energy: -146.663 flat angles P-C4'-P energy: -79.808 tors. eta vs tors. theta energy: -90.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1021.695447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.695447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.695447 (E_RNA) where: Base-Base interactions energy: -523.392 where: short stacking energy: -283.727 Base-Backbone interact. energy: -5.223 local terms energy: -493.080318 where: bonds (distance) C4'-P energy: -137.533 bonds (distance) P-C4' energy: -132.421 flat angles C4'-P-C4' energy: -113.789 flat angles P-C4'-P energy: -100.616 tors. eta vs tors. theta energy: -8.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -778.680639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.680639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.680639 (E_RNA) where: Base-Base interactions energy: -337.943 where: short stacking energy: -187.177 Base-Backbone interact. energy: -1.957 local terms energy: -438.780287 where: bonds (distance) C4'-P energy: -136.768 bonds (distance) P-C4' energy: -144.300 flat angles C4'-P-C4' energy: -122.935 flat angles P-C4'-P energy: -68.277 tors. eta vs tors. theta energy: 33.500 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: 1, replica: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2997.530946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.530946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.530946 (E_RNA) where: Base-Base interactions energy: -2079.342 where: short stacking energy: -858.886 Base-Backbone interact. energy: -3.606 local terms energy: -914.582625 where: bonds (distance) C4'-P energy: -174.031 bonds (distance) P-C4' energy: -169.369 flat angles C4'-P-C4' energy: -197.161 flat angles P-C4'-P energy: -125.995 tors. eta vs tors. theta energy: -248.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2861.415078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.415078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.415078 (E_RNA) where: Base-Base interactions energy: -1958.698 where: short stacking energy: -820.833 Base-Backbone interact. energy: -0.708 local terms energy: -902.009605 where: bonds (distance) C4'-P energy: -174.235 bonds (distance) P-C4' energy: -175.443 flat angles C4'-P-C4' energy: -177.785 flat angles P-C4'-P energy: -129.124 tors. eta vs tors. theta energy: -245.422 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: 2 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2707.005586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.005586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.005586 (E_RNA) where: Base-Base interactions energy: -1857.779 where: short stacking energy: -773.890 Base-Backbone interact. energy: -1.687 local terms energy: -847.539649 where: bonds (distance) C4'-P energy: -156.296 bonds (distance) P-C4' energy: -172.636 flat angles C4'-P-C4' energy: -178.964 flat angles P-C4'-P energy: -114.839 tors. eta vs tors. theta energy: -224.805 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: 6 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2541.605210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.605210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.605210 (E_RNA) where: Base-Base interactions energy: -1751.359 where: short stacking energy: -722.869 Base-Backbone interact. energy: -2.858 local terms energy: -787.387813 where: bonds (distance) C4'-P energy: -154.465 bonds (distance) P-C4' energy: -157.623 flat angles C4'-P-C4' energy: -171.482 flat angles P-C4'-P energy: -103.592 tors. eta vs tors. theta energy: -200.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2294.054057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.054057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.054057 (E_RNA) where: Base-Base interactions energy: -1532.962 where: short stacking energy: -656.520 Base-Backbone interact. energy: 2.707 local terms energy: -763.799937 where: bonds (distance) C4'-P energy: -144.027 bonds (distance) P-C4' energy: -158.949 flat angles C4'-P-C4' energy: -172.994 flat angles P-C4'-P energy: -93.072 tors. eta vs tors. theta energy: -194.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2227.135129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.135129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.135129 (E_RNA) where: Base-Base interactions energy: -1512.600 where: short stacking energy: -617.929 Base-Backbone interact. energy: 1.632 local terms energy: -716.167781 where: bonds (distance) C4'-P energy: -117.013 bonds (distance) P-C4' energy: -160.728 flat angles C4'-P-C4' energy: -164.056 flat angles P-C4'-P energy: -106.415 tors. eta vs tors. theta energy: -167.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1854.009358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.009358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.009358 (E_RNA) where: Base-Base interactions energy: -1211.124 where: short stacking energy: -527.540 Base-Backbone interact. energy: 0.091 local terms energy: -642.976361 where: bonds (distance) C4'-P energy: -138.013 bonds (distance) P-C4' energy: -133.497 flat angles C4'-P-C4' energy: -155.038 flat angles P-C4'-P energy: -90.123 tors. eta vs tors. theta energy: -126.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1553.603609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.603609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.603609 (E_RNA) where: Base-Base interactions energy: -972.550 where: short stacking energy: -438.460 Base-Backbone interact. energy: 2.618 local terms energy: -583.671639 where: bonds (distance) C4'-P energy: -126.595 bonds (distance) P-C4' energy: -157.313 flat angles C4'-P-C4' energy: -136.690 flat angles P-C4'-P energy: -76.367 tors. eta vs tors. theta energy: -86.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1003.051729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.051729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.051729 (E_RNA) where: Base-Base interactions energy: -513.131 where: short stacking energy: -280.085 Base-Backbone interact. energy: 7.374 local terms energy: -497.295022 where: bonds (distance) C4'-P energy: -149.399 bonds (distance) P-C4' energy: -142.111 flat angles C4'-P-C4' energy: -118.097 flat angles P-C4'-P energy: -77.172 tors. eta vs tors. theta energy: -10.516 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: 10, replica: 3 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -763.926702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.926702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.926702 (E_RNA) where: Base-Base interactions energy: -318.494 where: short stacking energy: -201.676 Base-Backbone interact. energy: -2.630 local terms energy: -442.803088 where: bonds (distance) C4'-P energy: -126.066 bonds (distance) P-C4' energy: -151.253 flat angles C4'-P-C4' energy: -113.750 flat angles P-C4'-P energy: -71.814 tors. eta vs tors. theta energy: 20.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2997.526558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.526558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.526558 (E_RNA) where: Base-Base interactions energy: -2096.617 where: short stacking energy: -833.503 Base-Backbone interact. energy: -4.755 local terms energy: -896.154528 where: bonds (distance) C4'-P energy: -167.685 bonds (distance) P-C4' energy: -165.795 flat angles C4'-P-C4' energy: -198.211 flat angles P-C4'-P energy: -123.488 tors. eta vs tors. theta energy: -240.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2832.212687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.212687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.212687 (E_RNA) where: Base-Base interactions energy: -1941.992 where: short stacking energy: -815.346 Base-Backbone interact. energy: -5.418 local terms energy: -884.802265 where: bonds (distance) C4'-P energy: -158.715 bonds (distance) P-C4' energy: -168.585 flat angles C4'-P-C4' energy: -193.006 flat angles P-C4'-P energy: -121.098 tors. eta vs tors. theta energy: -243.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2720.968029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.968029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.968029 (E_RNA) where: Base-Base interactions energy: -1895.062 where: short stacking energy: -768.322 Base-Backbone interact. energy: 1.137 local terms energy: -827.042761 where: bonds (distance) C4'-P energy: -164.759 bonds (distance) P-C4' energy: -154.859 flat angles C4'-P-C4' energy: -177.206 flat angles P-C4'-P energy: -108.697 tors. eta vs tors. theta energy: -221.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2591.484041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.484041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.484041 (E_RNA) where: Base-Base interactions energy: -1795.945 where: short stacking energy: -743.631 Base-Backbone interact. energy: -3.085 local terms energy: -792.453429 where: bonds (distance) C4'-P energy: -154.998 bonds (distance) P-C4' energy: -152.151 flat angles C4'-P-C4' energy: -171.685 flat angles P-C4'-P energy: -98.905 tors. eta vs tors. theta energy: -214.714 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: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2306.524124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.524124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.524124 (E_RNA) where: Base-Base interactions energy: -1550.766 where: short stacking energy: -666.605 Base-Backbone interact. energy: -6.060 local terms energy: -749.698503 where: bonds (distance) C4'-P energy: -140.268 bonds (distance) P-C4' energy: -149.201 flat angles C4'-P-C4' energy: -156.477 flat angles P-C4'-P energy: -114.964 tors. eta vs tors. theta energy: -188.788 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: 8 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2232.446762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.446762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.446762 (E_RNA) where: Base-Base interactions energy: -1514.830 where: short stacking energy: -663.887 Base-Backbone interact. energy: 5.662 local terms energy: -723.277910 where: bonds (distance) C4'-P energy: -145.498 bonds (distance) P-C4' energy: -143.752 flat angles C4'-P-C4' energy: -148.120 flat angles P-C4'-P energy: -111.096 tors. eta vs tors. theta energy: -174.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1843.865842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.865842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.865842 (E_RNA) where: Base-Base interactions energy: -1183.791 where: short stacking energy: -540.617 Base-Backbone interact. energy: -2.041 local terms energy: -658.034239 where: bonds (distance) C4'-P energy: -141.636 bonds (distance) P-C4' energy: -155.276 flat angles C4'-P-C4' energy: -143.035 flat angles P-C4'-P energy: -83.942 tors. eta vs tors. theta energy: -134.144 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: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1611.929561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.929561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.929561 (E_RNA) where: Base-Base interactions energy: -1033.640 where: short stacking energy: -450.853 Base-Backbone interact. energy: 2.888 local terms energy: -581.177674 where: bonds (distance) C4'-P energy: -114.840 bonds (distance) P-C4' energy: -144.029 flat angles C4'-P-C4' energy: -128.263 flat angles P-C4'-P energy: -89.338 tors. eta vs tors. theta energy: -104.708 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: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -936.814520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.814520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.814520 (E_RNA) where: Base-Base interactions energy: -495.809 where: short stacking energy: -288.657 Base-Backbone interact. energy: 3.705 local terms energy: -444.710421 where: bonds (distance) C4'-P energy: -123.056 bonds (distance) P-C4' energy: -152.274 flat angles C4'-P-C4' energy: -103.327 flat angles P-C4'-P energy: -73.958 tors. eta vs tors. theta energy: 7.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -772.305238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.305238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.305238 (E_RNA) where: Base-Base interactions energy: -335.666 where: short stacking energy: -215.397 Base-Backbone interact. energy: 4.820 local terms energy: -441.459076 where: bonds (distance) C4'-P energy: -122.706 bonds (distance) P-C4' energy: -131.277 flat angles C4'-P-C4' energy: -131.632 flat angles P-C4'-P energy: -69.901 tors. eta vs tors. theta energy: 14.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2988.677716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.677716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.677716 (E_RNA) where: Base-Base interactions energy: -2102.333 where: short stacking energy: -830.548 Base-Backbone interact. energy: -5.017 local terms energy: -881.327738 where: bonds (distance) C4'-P energy: -168.153 bonds (distance) P-C4' energy: -175.856 flat angles C4'-P-C4' energy: -175.582 flat angles P-C4'-P energy: -124.420 tors. eta vs tors. theta energy: -237.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2814.323948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.323948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.323948 (E_RNA) where: Base-Base interactions energy: -1944.546 where: short stacking energy: -818.812 Base-Backbone interact. energy: -2.843 local terms energy: -866.934948 where: bonds (distance) C4'-P energy: -166.803 bonds (distance) P-C4' energy: -149.369 flat angles C4'-P-C4' energy: -185.479 flat angles P-C4'-P energy: -125.604 tors. eta vs tors. theta energy: -239.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2744.937343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.937343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.937343 (E_RNA) where: Base-Base interactions energy: -1916.104 where: short stacking energy: -781.416 Base-Backbone interact. energy: -3.243 local terms energy: -825.590854 where: bonds (distance) C4'-P energy: -151.070 bonds (distance) P-C4' energy: -158.907 flat angles C4'-P-C4' energy: -173.006 flat angles P-C4'-P energy: -118.866 tors. eta vs tors. theta energy: -223.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2579.396133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.396133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.396133 (E_RNA) where: Base-Base interactions energy: -1779.630 where: short stacking energy: -737.293 Base-Backbone interact. energy: -1.578 local terms energy: -798.188053 where: bonds (distance) C4'-P energy: -135.750 bonds (distance) P-C4' energy: -150.141 flat angles C4'-P-C4' energy: -173.570 flat angles P-C4'-P energy: -120.824 tors. eta vs tors. theta energy: -217.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2321.761840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.761840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.761840 (E_RNA) where: Base-Base interactions energy: -1566.861 where: short stacking energy: -713.349 Base-Backbone interact. energy: -3.786 local terms energy: -751.115617 where: bonds (distance) C4'-P energy: -154.714 bonds (distance) P-C4' energy: -132.781 flat angles C4'-P-C4' energy: -163.685 flat angles P-C4'-P energy: -109.431 tors. eta vs tors. theta energy: -190.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2280.961383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.961383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.961383 (E_RNA) where: Base-Base interactions energy: -1558.123 where: short stacking energy: -629.972 Base-Backbone interact. energy: 2.561 local terms energy: -725.399276 where: bonds (distance) C4'-P energy: -149.866 bonds (distance) P-C4' energy: -150.023 flat angles C4'-P-C4' energy: -159.937 flat angles P-C4'-P energy: -86.206 tors. eta vs tors. theta energy: -179.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1857.275522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.275522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.275522 (E_RNA) where: Base-Base interactions energy: -1209.422 where: short stacking energy: -546.776 Base-Backbone interact. energy: -3.748 local terms energy: -644.105168 where: bonds (distance) C4'-P energy: -136.792 bonds (distance) P-C4' energy: -136.137 flat angles C4'-P-C4' energy: -144.743 flat angles P-C4'-P energy: -86.076 tors. eta vs tors. theta energy: -140.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1597.244187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.244187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.244187 (E_RNA) where: Base-Base interactions energy: -1005.027 where: short stacking energy: -455.730 Base-Backbone interact. energy: -4.602 local terms energy: -587.614841 where: bonds (distance) C4'-P energy: -138.584 bonds (distance) P-C4' energy: -101.639 flat angles C4'-P-C4' energy: -141.314 flat angles P-C4'-P energy: -103.172 tors. eta vs tors. theta energy: -102.906 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: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -969.378135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.378135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.378135 (E_RNA) where: Base-Base interactions energy: -478.176 where: short stacking energy: -248.590 Base-Backbone interact. energy: -0.539 local terms energy: -490.663496 where: bonds (distance) C4'-P energy: -142.114 bonds (distance) P-C4' energy: -137.437 flat angles C4'-P-C4' energy: -139.246 flat angles P-C4'-P energy: -66.639 tors. eta vs tors. theta energy: -5.227 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: 3 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -755.646878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.646878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.646878 (E_RNA) where: Base-Base interactions energy: -300.470 where: short stacking energy: -202.816 Base-Backbone interact. energy: -0.046 local terms energy: -455.130490 where: bonds (distance) C4'-P energy: -136.265 bonds (distance) P-C4' energy: -157.881 flat angles C4'-P-C4' energy: -121.936 flat angles P-C4'-P energy: -66.113 tors. eta vs tors. theta energy: 27.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2979.567769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.567769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.567769 (E_RNA) where: Base-Base interactions energy: -2077.969 where: short stacking energy: -834.238 Base-Backbone interact. energy: -7.131 local terms energy: -894.468014 where: bonds (distance) C4'-P energy: -160.529 bonds (distance) P-C4' energy: -169.671 flat angles C4'-P-C4' energy: -187.701 flat angles P-C4'-P energy: -118.685 tors. eta vs tors. theta energy: -257.882 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: 4 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2840.507290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.507290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.507290 (E_RNA) where: Base-Base interactions energy: -1949.441 where: short stacking energy: -847.068 Base-Backbone interact. energy: -3.614 local terms energy: -887.452753 where: bonds (distance) C4'-P energy: -161.714 bonds (distance) P-C4' energy: -169.872 flat angles C4'-P-C4' energy: -179.156 flat angles P-C4'-P energy: -120.859 tors. eta vs tors. theta energy: -255.853 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: 2 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2716.096817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.096817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.096817 (E_RNA) where: Base-Base interactions energy: -1906.890 where: short stacking energy: -765.617 Base-Backbone interact. energy: -0.431 local terms energy: -808.776296 where: bonds (distance) C4'-P energy: -153.839 bonds (distance) P-C4' energy: -152.226 flat angles C4'-P-C4' energy: -168.872 flat angles P-C4'-P energy: -116.458 tors. eta vs tors. theta energy: -217.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2558.120044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.120044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.120044 (E_RNA) where: Base-Base interactions energy: -1774.775 where: short stacking energy: -740.092 Base-Backbone interact. energy: 0.785 local terms energy: -784.130824 where: bonds (distance) C4'-P energy: -152.435 bonds (distance) P-C4' energy: -153.189 flat angles C4'-P-C4' energy: -179.765 flat angles P-C4'-P energy: -93.727 tors. eta vs tors. theta energy: -205.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2363.909425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.909425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.909425 (E_RNA) where: Base-Base interactions energy: -1588.109 where: short stacking energy: -697.349 Base-Backbone interact. energy: -3.620 local terms energy: -772.180848 where: bonds (distance) C4'-P energy: -159.622 bonds (distance) P-C4' energy: -149.687 flat angles C4'-P-C4' energy: -160.247 flat angles P-C4'-P energy: -103.161 tors. eta vs tors. theta energy: -199.464 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: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2262.138881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.138881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.138881 (E_RNA) where: Base-Base interactions energy: -1559.572 where: short stacking energy: -627.876 Base-Backbone interact. energy: 1.447 local terms energy: -704.014192 where: bonds (distance) C4'-P energy: -118.127 bonds (distance) P-C4' energy: -158.085 flat angles C4'-P-C4' energy: -158.323 flat angles P-C4'-P energy: -104.976 tors. eta vs tors. theta energy: -164.502 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: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1845.956907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.956907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.956907 (E_RNA) where: Base-Base interactions energy: -1206.569 where: short stacking energy: -561.895 Base-Backbone interact. energy: 6.519 local terms energy: -645.906761 where: bonds (distance) C4'-P energy: -123.738 bonds (distance) P-C4' energy: -162.857 flat angles C4'-P-C4' energy: -148.901 flat angles P-C4'-P energy: -84.964 tors. eta vs tors. theta energy: -125.447 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: 8, replica: 1 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1572.729329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.729329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.729329 (E_RNA) where: Base-Base interactions energy: -993.792 where: short stacking energy: -443.285 Base-Backbone interact. energy: -0.996 local terms energy: -577.941609 where: bonds (distance) C4'-P energy: -134.344 bonds (distance) P-C4' energy: -137.465 flat angles C4'-P-C4' energy: -134.585 flat angles P-C4'-P energy: -83.882 tors. eta vs tors. theta energy: -87.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -934.284118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.284118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.284118 (E_RNA) where: Base-Base interactions energy: -486.597 where: short stacking energy: -287.656 Base-Backbone interact. energy: -2.369 local terms energy: -445.318710 where: bonds (distance) C4'-P energy: -115.431 bonds (distance) P-C4' energy: -142.040 flat angles C4'-P-C4' energy: -115.617 flat angles P-C4'-P energy: -60.345 tors. eta vs tors. theta energy: -11.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -787.339777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.339777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.339777 (E_RNA) where: Base-Base interactions energy: -339.407 where: short stacking energy: -207.150 Base-Backbone interact. energy: 4.537 local terms energy: -452.469640 where: bonds (distance) C4'-P energy: -130.727 bonds (distance) P-C4' energy: -139.507 flat angles C4'-P-C4' energy: -126.800 flat angles P-C4'-P energy: -83.794 tors. eta vs tors. theta energy: 28.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2970.105503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.105503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.105503 (E_RNA) where: Base-Base interactions energy: -2083.677 where: short stacking energy: -824.830 Base-Backbone interact. energy: -4.955 local terms energy: -881.473001 where: bonds (distance) C4'-P energy: -163.349 bonds (distance) P-C4' energy: -167.411 flat angles C4'-P-C4' energy: -191.821 flat angles P-C4'-P energy: -124.253 tors. eta vs tors. theta energy: -234.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2834.777493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.777493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.777493 (E_RNA) where: Base-Base interactions energy: -1951.630 where: short stacking energy: -828.610 Base-Backbone interact. energy: -2.040 local terms energy: -881.107065 where: bonds (distance) C4'-P energy: -157.443 bonds (distance) P-C4' energy: -161.403 flat angles C4'-P-C4' energy: -181.874 flat angles P-C4'-P energy: -132.741 tors. eta vs tors. theta energy: -247.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2718.077808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.077808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.077808 (E_RNA) where: Base-Base interactions energy: -1899.271 where: short stacking energy: -773.728 Base-Backbone interact. energy: 4.927 local terms energy: -823.733275 where: bonds (distance) C4'-P energy: -152.831 bonds (distance) P-C4' energy: -156.776 flat angles C4'-P-C4' energy: -180.577 flat angles P-C4'-P energy: -111.860 tors. eta vs tors. theta energy: -221.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2591.064560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.064560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.064560 (E_RNA) where: Base-Base interactions energy: -1790.397 where: short stacking energy: -786.273 Base-Backbone interact. energy: -2.675 local terms energy: -797.993044 where: bonds (distance) C4'-P energy: -139.031 bonds (distance) P-C4' energy: -169.106 flat angles C4'-P-C4' energy: -165.521 flat angles P-C4'-P energy: -100.448 tors. eta vs tors. theta energy: -223.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2366.143054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.143054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.143054 (E_RNA) where: Base-Base interactions energy: -1595.390 where: short stacking energy: -696.294 Base-Backbone interact. energy: -1.713 local terms energy: -769.039558 where: bonds (distance) C4'-P energy: -145.284 bonds (distance) P-C4' energy: -155.019 flat angles C4'-P-C4' energy: -165.578 flat angles P-C4'-P energy: -106.999 tors. eta vs tors. theta energy: -196.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2232.472780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.472780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.472780 (E_RNA) where: Base-Base interactions energy: -1533.865 where: short stacking energy: -632.277 Base-Backbone interact. energy: 1.455 local terms energy: -700.063611 where: bonds (distance) C4'-P energy: -145.312 bonds (distance) P-C4' energy: -144.263 flat angles C4'-P-C4' energy: -144.808 flat angles P-C4'-P energy: -101.232 tors. eta vs tors. theta energy: -164.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1861.300934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.300934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.300934 (E_RNA) where: Base-Base interactions energy: -1225.279 where: short stacking energy: -538.031 Base-Backbone interact. energy: -0.108 local terms energy: -635.914130 where: bonds (distance) C4'-P energy: -137.712 bonds (distance) P-C4' energy: -124.052 flat angles C4'-P-C4' energy: -158.035 flat angles P-C4'-P energy: -95.032 tors. eta vs tors. theta energy: -121.083 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: 8, replica: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1598.464523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.464523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.464523 (E_RNA) where: Base-Base interactions energy: -1031.436 where: short stacking energy: -459.820 Base-Backbone interact. energy: 5.326 local terms energy: -572.354703 where: bonds (distance) C4'-P energy: -126.982 bonds (distance) P-C4' energy: -144.445 flat angles C4'-P-C4' energy: -141.149 flat angles P-C4'-P energy: -77.532 tors. eta vs tors. theta energy: -82.247 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: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -909.344682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.344682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.344682 (E_RNA) where: Base-Base interactions energy: -443.623 where: short stacking energy: -246.017 Base-Backbone interact. energy: -0.017 local terms energy: -465.704757 where: bonds (distance) C4'-P energy: -147.676 bonds (distance) P-C4' energy: -144.819 flat angles C4'-P-C4' energy: -101.983 flat angles P-C4'-P energy: -76.444 tors. eta vs tors. theta energy: 5.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -885.352902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.352902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.352902 (E_RNA) where: Base-Base interactions energy: -444.566 where: short stacking energy: -237.501 Base-Backbone interact. energy: 2.455 local terms energy: -443.241392 where: bonds (distance) C4'-P energy: -149.003 bonds (distance) P-C4' energy: -124.534 flat angles C4'-P-C4' energy: -117.598 flat angles P-C4'-P energy: -45.796 tors. eta vs tors. theta energy: -6.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2980.460208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.460208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.460208 (E_RNA) where: Base-Base interactions energy: -2117.083 where: short stacking energy: -858.778 Base-Backbone interact. energy: -3.115 local terms energy: -860.261682 where: bonds (distance) C4'-P energy: -161.635 bonds (distance) P-C4' energy: -150.415 flat angles C4'-P-C4' energy: -192.018 flat angles P-C4'-P energy: -113.457 tors. eta vs tors. theta energy: -242.737 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: 2, replica: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2892.452353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.452353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.452353 (E_RNA) where: Base-Base interactions energy: -2018.199 where: short stacking energy: -845.544 Base-Backbone interact. energy: 3.605 local terms energy: -877.858633 where: bonds (distance) C4'-P energy: -154.911 bonds (distance) P-C4' energy: -174.585 flat angles C4'-P-C4' energy: -173.922 flat angles P-C4'-P energy: -123.062 tors. eta vs tors. theta energy: -251.379 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: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2759.651714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.651714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.651714 (E_RNA) where: Base-Base interactions energy: -1899.717 where: short stacking energy: -775.117 Base-Backbone interact. energy: -1.411 local terms energy: -858.524351 where: bonds (distance) C4'-P energy: -159.733 bonds (distance) P-C4' energy: -149.344 flat angles C4'-P-C4' energy: -188.413 flat angles P-C4'-P energy: -125.664 tors. eta vs tors. theta energy: -235.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2624.103298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.103298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.103298 (E_RNA) where: Base-Base interactions energy: -1804.507 where: short stacking energy: -756.380 Base-Backbone interact. energy: -0.911 local terms energy: -818.685308 where: bonds (distance) C4'-P energy: -161.736 bonds (distance) P-C4' energy: -159.321 flat angles C4'-P-C4' energy: -174.474 flat angles P-C4'-P energy: -103.443 tors. eta vs tors. theta energy: -219.713 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: 5, replica: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2356.892121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.892121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.892121 (E_RNA) where: Base-Base interactions energy: -1581.349 where: short stacking energy: -691.679 Base-Backbone interact. energy: -3.221 local terms energy: -772.322344 where: bonds (distance) C4'-P energy: -146.603 bonds (distance) P-C4' energy: -148.487 flat angles C4'-P-C4' energy: -175.852 flat angles P-C4'-P energy: -106.686 tors. eta vs tors. theta energy: -194.695 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: 6, replica: 8 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2236.384751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.384751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.384751 (E_RNA) where: Base-Base interactions energy: -1516.879 where: short stacking energy: -614.028 Base-Backbone interact. energy: -4.469 local terms energy: -715.036790 where: bonds (distance) C4'-P energy: -130.180 bonds (distance) P-C4' energy: -145.486 flat angles C4'-P-C4' energy: -172.733 flat angles P-C4'-P energy: -87.900 tors. eta vs tors. theta energy: -178.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1893.928096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.928096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.928096 (E_RNA) where: Base-Base interactions energy: -1238.371 where: short stacking energy: -535.048 Base-Backbone interact. energy: 2.097 local terms energy: -657.654192 where: bonds (distance) C4'-P energy: -139.886 bonds (distance) P-C4' energy: -136.978 flat angles C4'-P-C4' energy: -157.079 flat angles P-C4'-P energy: -94.285 tors. eta vs tors. theta energy: -129.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1548.495618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.495618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.495618 (E_RNA) where: Base-Base interactions energy: -1004.257 where: short stacking energy: -424.095 Base-Backbone interact. energy: -3.453 local terms energy: -540.786061 where: bonds (distance) C4'-P energy: -132.216 bonds (distance) P-C4' energy: -135.455 flat angles C4'-P-C4' energy: -133.346 flat angles P-C4'-P energy: -59.969 tors. eta vs tors. theta energy: -79.801 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: 9, replica: 10 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1031.146091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.146091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.146091 (E_RNA) where: Base-Base interactions energy: -551.644 where: short stacking energy: -275.352 Base-Backbone interact. energy: 4.925 local terms energy: -484.427323 where: bonds (distance) C4'-P energy: -140.553 bonds (distance) P-C4' energy: -115.761 flat angles C4'-P-C4' energy: -130.939 flat angles P-C4'-P energy: -86.664 tors. eta vs tors. theta energy: -10.511 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: 10, replica: 3 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -938.234559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.234559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.234559 (E_RNA) where: Base-Base interactions energy: -508.151 where: short stacking energy: -298.331 Base-Backbone interact. energy: -2.008 local terms energy: -428.075203 where: bonds (distance) C4'-P energy: -120.560 bonds (distance) P-C4' energy: -124.838 flat angles C4'-P-C4' energy: -102.470 flat angles P-C4'-P energy: -65.355 tors. eta vs tors. theta energy: -14.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2981.984158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.984158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.984158 (E_RNA) where: Base-Base interactions energy: -2060.574 where: short stacking energy: -844.348 Base-Backbone interact. energy: -3.182 local terms energy: -918.228266 where: bonds (distance) C4'-P energy: -155.915 bonds (distance) P-C4' energy: -178.759 flat angles C4'-P-C4' energy: -194.161 flat angles P-C4'-P energy: -137.198 tors. eta vs tors. theta energy: -252.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2926.827792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.827792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.827792 (E_RNA) where: Base-Base interactions energy: -2023.148 where: short stacking energy: -837.764 Base-Backbone interact. energy: 2.291 local terms energy: -905.970660 where: bonds (distance) C4'-P energy: -159.543 bonds (distance) P-C4' energy: -169.647 flat angles C4'-P-C4' energy: -184.024 flat angles P-C4'-P energy: -132.110 tors. eta vs tors. theta energy: -260.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2742.506248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.506248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.506248 (E_RNA) where: Base-Base interactions energy: -1944.497 where: short stacking energy: -799.705 Base-Backbone interact. energy: -2.453 local terms energy: -795.556899 where: bonds (distance) C4'-P energy: -142.769 bonds (distance) P-C4' energy: -158.244 flat angles C4'-P-C4' energy: -167.923 flat angles P-C4'-P energy: -105.461 tors. eta vs tors. theta energy: -221.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2616.380829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.380829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.380829 (E_RNA) where: Base-Base interactions energy: -1803.774 where: short stacking energy: -766.042 Base-Backbone interact. energy: -0.186 local terms energy: -812.420500 where: bonds (distance) C4'-P energy: -146.458 bonds (distance) P-C4' energy: -156.959 flat angles C4'-P-C4' energy: -173.524 flat angles P-C4'-P energy: -117.313 tors. eta vs tors. theta energy: -218.166 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: 9 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2360.939776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.939776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.939776 (E_RNA) where: Base-Base interactions energy: -1588.588 where: short stacking energy: -694.676 Base-Backbone interact. energy: -4.810 local terms energy: -767.542339 where: bonds (distance) C4'-P energy: -135.676 bonds (distance) P-C4' energy: -146.885 flat angles C4'-P-C4' energy: -174.767 flat angles P-C4'-P energy: -111.032 tors. eta vs tors. theta energy: -199.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2257.399450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.399450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.399450 (E_RNA) where: Base-Base interactions energy: -1533.238 where: short stacking energy: -655.859 Base-Backbone interact. energy: -1.530 local terms energy: -722.631732 where: bonds (distance) C4'-P energy: -149.474 bonds (distance) P-C4' energy: -134.353 flat angles C4'-P-C4' energy: -170.580 flat angles P-C4'-P energy: -87.639 tors. eta vs tors. theta energy: -180.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1906.904237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.904237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.904237 (E_RNA) where: Base-Base interactions energy: -1243.383 where: short stacking energy: -540.404 Base-Backbone interact. energy: -0.818 local terms energy: -662.703551 where: bonds (distance) C4'-P energy: -118.994 bonds (distance) P-C4' energy: -140.250 flat angles C4'-P-C4' energy: -170.678 flat angles P-C4'-P energy: -99.849 tors. eta vs tors. theta energy: -132.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1553.198169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.198169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.198169 (E_RNA) where: Base-Base interactions energy: -973.519 where: short stacking energy: -436.353 Base-Backbone interact. energy: -3.142 local terms energy: -576.537144 where: bonds (distance) C4'-P energy: -141.672 bonds (distance) P-C4' energy: -144.307 flat angles C4'-P-C4' energy: -124.866 flat angles P-C4'-P energy: -91.003 tors. eta vs tors. theta energy: -74.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1017.630162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.630162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.630162 (E_RNA) where: Base-Base interactions energy: -545.054 where: short stacking energy: -294.540 Base-Backbone interact. energy: 3.014 local terms energy: -475.590097 where: bonds (distance) C4'-P energy: -131.739 bonds (distance) P-C4' energy: -143.661 flat angles C4'-P-C4' energy: -110.742 flat angles P-C4'-P energy: -71.856 tors. eta vs tors. theta energy: -17.592 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: 3 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -896.710913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.710913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.710913 (E_RNA) where: Base-Base interactions energy: -459.904 where: short stacking energy: -246.520 Base-Backbone interact. energy: 1.058 local terms energy: -437.865200 where: bonds (distance) C4'-P energy: -117.101 bonds (distance) P-C4' energy: -131.187 flat angles C4'-P-C4' energy: -119.109 flat angles P-C4'-P energy: -69.605 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2951.265068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.265068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.265068 (E_RNA) where: Base-Base interactions energy: -2055.905 where: short stacking energy: -836.048 Base-Backbone interact. energy: 2.503 local terms energy: -897.862835 where: bonds (distance) C4'-P energy: -168.356 bonds (distance) P-C4' energy: -167.235 flat angles C4'-P-C4' energy: -181.600 flat angles P-C4'-P energy: -127.907 tors. eta vs tors. theta energy: -252.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2831.797425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.797425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.797425 (E_RNA) where: Base-Base interactions energy: -1959.712 where: short stacking energy: -853.505 Base-Backbone interact. energy: -3.742 local terms energy: -868.343390 where: bonds (distance) C4'-P energy: -147.846 bonds (distance) P-C4' energy: -154.541 flat angles C4'-P-C4' energy: -185.172 flat angles P-C4'-P energy: -135.616 tors. eta vs tors. theta energy: -245.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2711.128967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.128967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.128967 (E_RNA) where: Base-Base interactions energy: -1899.474 where: short stacking energy: -787.456 Base-Backbone interact. energy: -3.494 local terms energy: -808.161314 where: bonds (distance) C4'-P energy: -142.223 bonds (distance) P-C4' energy: -143.855 flat angles C4'-P-C4' energy: -175.200 flat angles P-C4'-P energy: -124.028 tors. eta vs tors. theta energy: -222.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2627.191080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.191080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.191080 (E_RNA) where: Base-Base interactions energy: -1814.991 where: short stacking energy: -759.662 Base-Backbone interact. energy: -0.828 local terms energy: -811.372733 where: bonds (distance) C4'-P energy: -153.389 bonds (distance) P-C4' energy: -147.294 flat angles C4'-P-C4' energy: -181.568 flat angles P-C4'-P energy: -104.464 tors. eta vs tors. theta energy: -224.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2358.165598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.165598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.165598 (E_RNA) where: Base-Base interactions energy: -1581.376 where: short stacking energy: -678.252 Base-Backbone interact. energy: -5.011 local terms energy: -771.778500 where: bonds (distance) C4'-P energy: -128.960 bonds (distance) P-C4' energy: -155.880 flat angles C4'-P-C4' energy: -174.711 flat angles P-C4'-P energy: -112.914 tors. eta vs tors. theta energy: -199.313 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: 8 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2242.947561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.947561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.947561 (E_RNA) where: Base-Base interactions energy: -1494.093 where: short stacking energy: -603.204 Base-Backbone interact. energy: -1.821 local terms energy: -747.033083 where: bonds (distance) C4'-P energy: -131.060 bonds (distance) P-C4' energy: -155.419 flat angles C4'-P-C4' energy: -171.185 flat angles P-C4'-P energy: -109.650 tors. eta vs tors. theta energy: -179.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1951.955181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.955181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.955181 (E_RNA) where: Base-Base interactions energy: -1338.634 where: short stacking energy: -553.629 Base-Backbone interact. energy: 0.951 local terms energy: -614.272389 where: bonds (distance) C4'-P energy: -115.941 bonds (distance) P-C4' energy: -135.147 flat angles C4'-P-C4' energy: -120.261 flat angles P-C4'-P energy: -97.142 tors. eta vs tors. theta energy: -145.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1529.871909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.871909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.871909 (E_RNA) where: Base-Base interactions energy: -946.447 where: short stacking energy: -440.023 Base-Backbone interact. energy: 3.246 local terms energy: -586.670895 where: bonds (distance) C4'-P energy: -130.297 bonds (distance) P-C4' energy: -144.501 flat angles C4'-P-C4' energy: -149.728 flat angles P-C4'-P energy: -76.601 tors. eta vs tors. theta energy: -85.544 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: 9, replica: 10 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -971.568970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.568970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.568970 (E_RNA) where: Base-Base interactions energy: -469.116 where: short stacking energy: -243.194 Base-Backbone interact. energy: -4.165 local terms energy: -498.287626 where: bonds (distance) C4'-P energy: -163.265 bonds (distance) P-C4' energy: -140.414 flat angles C4'-P-C4' energy: -118.006 flat angles P-C4'-P energy: -56.202 tors. eta vs tors. theta energy: -20.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -859.524811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.524811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.524811 (E_RNA) where: Base-Base interactions energy: -429.324 where: short stacking energy: -236.810 Base-Backbone interact. energy: 7.215 local terms energy: -437.415391 where: bonds (distance) C4'-P energy: -123.258 bonds (distance) P-C4' energy: -126.257 flat angles C4'-P-C4' energy: -125.210 flat angles P-C4'-P energy: -57.278 tors. eta vs tors. theta energy: -5.412 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: 5 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2977.235098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.235098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.235098 (E_RNA) where: Base-Base interactions energy: -2098.554 where: short stacking energy: -862.926 Base-Backbone interact. energy: -4.630 local terms energy: -874.050797 where: bonds (distance) C4'-P energy: -147.645 bonds (distance) P-C4' energy: -171.470 flat angles C4'-P-C4' energy: -185.511 flat angles P-C4'-P energy: -121.338 tors. eta vs tors. theta energy: -248.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2837.962769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.962769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.962769 (E_RNA) where: Base-Base interactions energy: -1936.876 where: short stacking energy: -831.701 Base-Backbone interact. energy: -5.886 local terms energy: -895.200298 where: bonds (distance) C4'-P energy: -166.967 bonds (distance) P-C4' energy: -171.032 flat angles C4'-P-C4' energy: -179.820 flat angles P-C4'-P energy: -119.925 tors. eta vs tors. theta energy: -257.456 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: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2706.605876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.605876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.605876 (E_RNA) where: Base-Base interactions energy: -1906.654 where: short stacking energy: -739.089 Base-Backbone interact. energy: -0.149 local terms energy: -799.802855 where: bonds (distance) C4'-P energy: -141.912 bonds (distance) P-C4' energy: -158.350 flat angles C4'-P-C4' energy: -171.722 flat angles P-C4'-P energy: -115.733 tors. eta vs tors. theta energy: -212.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2634.337915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.337915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.337915 (E_RNA) where: Base-Base interactions energy: -1828.338 where: short stacking energy: -742.628 Base-Backbone interact. energy: 0.664 local terms energy: -806.663750 where: bonds (distance) C4'-P energy: -148.584 bonds (distance) P-C4' energy: -143.712 flat angles C4'-P-C4' energy: -177.668 flat angles P-C4'-P energy: -121.127 tors. eta vs tors. theta energy: -215.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2360.852795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.852795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.852795 (E_RNA) where: Base-Base interactions energy: -1587.306 where: short stacking energy: -689.190 Base-Backbone interact. energy: -3.073 local terms energy: -770.472864 where: bonds (distance) C4'-P energy: -139.786 bonds (distance) P-C4' energy: -152.244 flat angles C4'-P-C4' energy: -180.651 flat angles P-C4'-P energy: -100.648 tors. eta vs tors. theta energy: -197.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2239.668295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.668295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.668295 (E_RNA) where: Base-Base interactions energy: -1520.582 where: short stacking energy: -636.116 Base-Backbone interact. energy: 4.932 local terms energy: -724.017469 where: bonds (distance) C4'-P energy: -151.700 bonds (distance) P-C4' energy: -167.231 flat angles C4'-P-C4' energy: -155.177 flat angles P-C4'-P energy: -75.687 tors. eta vs tors. theta energy: -174.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1799.495594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.495594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.495594 (E_RNA) where: Base-Base interactions energy: -1173.134 where: short stacking energy: -513.787 Base-Backbone interact. energy: -1.595 local terms energy: -624.767455 where: bonds (distance) C4'-P energy: -143.979 bonds (distance) P-C4' energy: -131.777 flat angles C4'-P-C4' energy: -140.443 flat angles P-C4'-P energy: -89.887 tors. eta vs tors. theta energy: -118.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1579.387249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.387249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.387249 (E_RNA) where: Base-Base interactions energy: -981.759 where: short stacking energy: -458.990 Base-Backbone interact. energy: 2.079 local terms energy: -599.706615 where: bonds (distance) C4'-P energy: -133.651 bonds (distance) P-C4' energy: -143.549 flat angles C4'-P-C4' energy: -150.083 flat angles P-C4'-P energy: -76.021 tors. eta vs tors. theta energy: -96.402 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: 10 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -986.762122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.762122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.762122 (E_RNA) where: Base-Base interactions energy: -483.067 where: short stacking energy: -254.692 Base-Backbone interact. energy: 1.876 local terms energy: -505.570473 where: bonds (distance) C4'-P energy: -128.784 bonds (distance) P-C4' energy: -148.058 flat angles C4'-P-C4' energy: -143.609 flat angles P-C4'-P energy: -81.124 tors. eta vs tors. theta energy: -3.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -805.761678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.761678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.761678 (E_RNA) where: Base-Base interactions energy: -366.132 where: short stacking energy: -182.950 Base-Backbone interact. energy: -1.446 local terms energy: -438.184013 where: bonds (distance) C4'-P energy: -120.721 bonds (distance) P-C4' energy: -145.837 flat angles C4'-P-C4' energy: -133.284 flat angles P-C4'-P energy: -62.583 tors. eta vs tors. theta energy: 24.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2988.650114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.650114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.650114 (E_RNA) where: Base-Base interactions energy: -2109.802 where: short stacking energy: -838.753 Base-Backbone interact. energy: -3.316 local terms energy: -875.532158 where: bonds (distance) C4'-P energy: -165.947 bonds (distance) P-C4' energy: -161.704 flat angles C4'-P-C4' energy: -182.444 flat angles P-C4'-P energy: -124.023 tors. eta vs tors. theta energy: -241.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2848.357783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.357783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.357783 (E_RNA) where: Base-Base interactions energy: -1981.458 where: short stacking energy: -850.821 Base-Backbone interact. energy: 0.553 local terms energy: -867.452928 where: bonds (distance) C4'-P energy: -167.402 bonds (distance) P-C4' energy: -144.348 flat angles C4'-P-C4' energy: -182.851 flat angles P-C4'-P energy: -125.556 tors. eta vs tors. theta energy: -247.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2726.958039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.958039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.958039 (E_RNA) where: Base-Base interactions energy: -1876.674 where: short stacking energy: -811.369 Base-Backbone interact. energy: -0.363 local terms energy: -849.920948 where: bonds (distance) C4'-P energy: -158.321 bonds (distance) P-C4' energy: -151.103 flat angles C4'-P-C4' energy: -185.472 flat angles P-C4'-P energy: -131.824 tors. eta vs tors. theta energy: -223.201 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: 443 Temperature: 1.050000 Total energy: -2652.558293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.558293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.558293 (E_RNA) where: Base-Base interactions energy: -1849.456 where: short stacking energy: -785.776 Base-Backbone interact. energy: -1.401 local terms energy: -801.700790 where: bonds (distance) C4'-P energy: -151.830 bonds (distance) P-C4' energy: -129.159 flat angles C4'-P-C4' energy: -183.752 flat angles P-C4'-P energy: -111.103 tors. eta vs tors. theta energy: -225.856 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: 9 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2315.102498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.102498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.102498 (E_RNA) where: Base-Base interactions energy: -1556.996 where: short stacking energy: -658.744 Base-Backbone interact. energy: -3.456 local terms energy: -754.650152 where: bonds (distance) C4'-P energy: -142.472 bonds (distance) P-C4' energy: -162.448 flat angles C4'-P-C4' energy: -156.094 flat angles P-C4'-P energy: -99.707 tors. eta vs tors. theta energy: -193.929 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: 8 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2257.130715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.130715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.130715 (E_RNA) where: Base-Base interactions energy: -1519.920 where: short stacking energy: -622.513 Base-Backbone interact. energy: 0.086 local terms energy: -737.296788 where: bonds (distance) C4'-P energy: -146.659 bonds (distance) P-C4' energy: -150.961 flat angles C4'-P-C4' energy: -170.164 flat angles P-C4'-P energy: -101.507 tors. eta vs tors. theta energy: -168.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1797.988568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.988568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.988568 (E_RNA) where: Base-Base interactions energy: -1169.627 where: short stacking energy: -500.592 Base-Backbone interact. energy: -2.220 local terms energy: -626.140921 where: bonds (distance) C4'-P energy: -146.022 bonds (distance) P-C4' energy: -149.611 flat angles C4'-P-C4' energy: -143.310 flat angles P-C4'-P energy: -83.155 tors. eta vs tors. theta energy: -104.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1536.666971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.666971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.666971 (E_RNA) where: Base-Base interactions energy: -944.965 where: short stacking energy: -432.430 Base-Backbone interact. energy: 0.705 local terms energy: -592.406908 where: bonds (distance) C4'-P energy: -132.023 bonds (distance) P-C4' energy: -125.880 flat angles C4'-P-C4' energy: -132.167 flat angles P-C4'-P energy: -102.793 tors. eta vs tors. theta energy: -99.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -934.672089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.672089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.672089 (E_RNA) where: Base-Base interactions energy: -475.745 where: short stacking energy: -271.989 Base-Backbone interact. energy: 1.805 local terms energy: -460.731776 where: bonds (distance) C4'-P energy: -124.239 bonds (distance) P-C4' energy: -152.511 flat angles C4'-P-C4' energy: -121.414 flat angles P-C4'-P energy: -59.131 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: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -735.467416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.467416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.467416 (E_RNA) where: Base-Base interactions energy: -299.233 where: short stacking energy: -199.455 Base-Backbone interact. energy: -3.402 local terms energy: -432.832752 where: bonds (distance) C4'-P energy: -136.198 bonds (distance) P-C4' energy: -145.389 flat angles C4'-P-C4' energy: -114.964 flat angles P-C4'-P energy: -56.105 tors. eta vs tors. theta energy: 19.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2979.802851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.802851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.802851 (E_RNA) where: Base-Base interactions energy: -2057.684 where: short stacking energy: -817.761 Base-Backbone interact. energy: -2.187 local terms energy: -919.931361 where: bonds (distance) C4'-P energy: -171.272 bonds (distance) P-C4' energy: -184.310 flat angles C4'-P-C4' energy: -189.486 flat angles P-C4'-P energy: -125.959 tors. eta vs tors. theta energy: -248.904 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: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2837.420303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.420303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.420303 (E_RNA) where: Base-Base interactions energy: -1970.150 where: short stacking energy: -846.627 Base-Backbone interact. energy: -1.571 local terms energy: -865.698667 where: bonds (distance) C4'-P energy: -135.696 bonds (distance) P-C4' energy: -161.570 flat angles C4'-P-C4' energy: -190.187 flat angles P-C4'-P energy: -126.096 tors. eta vs tors. theta energy: -252.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2741.997692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.997692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.997692 (E_RNA) where: Base-Base interactions energy: -1892.194 where: short stacking energy: -801.372 Base-Backbone interact. energy: -6.463 local terms energy: -843.340919 where: bonds (distance) C4'-P energy: -140.629 bonds (distance) P-C4' energy: -162.929 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -119.647 tors. eta vs tors. theta energy: -242.454 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: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2645.877865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.877865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.877865 (E_RNA) where: Base-Base interactions energy: -1853.222 where: short stacking energy: -737.349 Base-Backbone interact. energy: -1.391 local terms energy: -791.265029 where: bonds (distance) C4'-P energy: -133.356 bonds (distance) P-C4' energy: -164.568 flat angles C4'-P-C4' energy: -150.779 flat angles P-C4'-P energy: -111.097 tors. eta vs tors. theta energy: -231.465 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: 5, replica: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2342.702697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.702697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.702697 (E_RNA) where: Base-Base interactions energy: -1617.258 where: short stacking energy: -675.797 Base-Backbone interact. energy: -3.729 local terms energy: -721.715484 where: bonds (distance) C4'-P energy: -143.879 bonds (distance) P-C4' energy: -136.094 flat angles C4'-P-C4' energy: -167.977 flat angles P-C4'-P energy: -84.526 tors. eta vs tors. theta energy: -189.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2243.151739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.151739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.151739 (E_RNA) where: Base-Base interactions energy: -1508.813 where: short stacking energy: -623.756 Base-Backbone interact. energy: 0.437 local terms energy: -734.775882 where: bonds (distance) C4'-P energy: -149.862 bonds (distance) P-C4' energy: -158.217 flat angles C4'-P-C4' energy: -154.877 flat angles P-C4'-P energy: -87.740 tors. eta vs tors. theta energy: -184.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1832.060889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.060889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.060889 (E_RNA) where: Base-Base interactions energy: -1202.469 where: short stacking energy: -532.328 Base-Backbone interact. energy: 3.199 local terms energy: -632.790944 where: bonds (distance) C4'-P energy: -136.349 bonds (distance) P-C4' energy: -147.069 flat angles C4'-P-C4' energy: -142.040 flat angles P-C4'-P energy: -74.570 tors. eta vs tors. theta energy: -132.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1591.177845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.177845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.177845 (E_RNA) where: Base-Base interactions energy: -1006.555 where: short stacking energy: -444.287 Base-Backbone interact. energy: -2.285 local terms energy: -582.337866 where: bonds (distance) C4'-P energy: -123.371 bonds (distance) P-C4' energy: -137.818 flat angles C4'-P-C4' energy: -135.438 flat angles P-C4'-P energy: -98.145 tors. eta vs tors. theta energy: -87.565 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: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -982.644904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.644904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.644904 (E_RNA) where: Base-Base interactions energy: -540.648 where: short stacking energy: -266.834 Base-Backbone interact. energy: -5.621 local terms energy: -436.375962 where: bonds (distance) C4'-P energy: -126.224 bonds (distance) P-C4' energy: -127.273 flat angles C4'-P-C4' energy: -115.997 flat angles P-C4'-P energy: -68.706 tors. eta vs tors. theta energy: 1.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -808.186588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.186588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.186588 (E_RNA) where: Base-Base interactions energy: -393.242 where: short stacking energy: -222.142 Base-Backbone interact. energy: 2.244 local terms energy: -417.188560 where: bonds (distance) C4'-P energy: -116.035 bonds (distance) P-C4' energy: -149.668 flat angles C4'-P-C4' energy: -94.208 flat angles P-C4'-P energy: -79.226 tors. eta vs tors. theta energy: 21.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2981.884702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.884702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.884702 (E_RNA) where: Base-Base interactions energy: -2105.298 where: short stacking energy: -830.069 Base-Backbone interact. energy: -4.737 local terms energy: -871.849229 where: bonds (distance) C4'-P energy: -150.629 bonds (distance) P-C4' energy: -161.936 flat angles C4'-P-C4' energy: -176.293 flat angles P-C4'-P energy: -128.936 tors. eta vs tors. theta energy: -254.056 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: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2863.630598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.630598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.630598 (E_RNA) where: Base-Base interactions energy: -1946.598 where: short stacking energy: -835.231 Base-Backbone interact. energy: -1.665 local terms energy: -915.368573 where: bonds (distance) C4'-P energy: -170.991 bonds (distance) P-C4' energy: -174.399 flat angles C4'-P-C4' energy: -199.408 flat angles P-C4'-P energy: -117.275 tors. eta vs tors. theta energy: -253.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2765.656732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.656732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.656732 (E_RNA) where: Base-Base interactions energy: -1905.221 where: short stacking energy: -796.079 Base-Backbone interact. energy: -0.144 local terms energy: -860.291654 where: bonds (distance) C4'-P energy: -163.366 bonds (distance) P-C4' energy: -147.143 flat angles C4'-P-C4' energy: -188.633 flat angles P-C4'-P energy: -125.435 tors. eta vs tors. theta energy: -235.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2674.327920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.327920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.327920 (E_RNA) where: Base-Base interactions energy: -1861.171 where: short stacking energy: -760.587 Base-Backbone interact. energy: -5.209 local terms energy: -807.947462 where: bonds (distance) C4'-P energy: -149.603 bonds (distance) P-C4' energy: -150.762 flat angles C4'-P-C4' energy: -168.799 flat angles P-C4'-P energy: -105.737 tors. eta vs tors. theta energy: -233.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2387.757219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.757219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.757219 (E_RNA) where: Base-Base interactions energy: -1621.940 where: short stacking energy: -686.625 Base-Backbone interact. energy: -1.161 local terms energy: -764.656364 where: bonds (distance) C4'-P energy: -133.042 bonds (distance) P-C4' energy: -157.534 flat angles C4'-P-C4' energy: -177.299 flat angles P-C4'-P energy: -92.979 tors. eta vs tors. theta energy: -203.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2288.654695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.654695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.654695 (E_RNA) where: Base-Base interactions energy: -1582.499 where: short stacking energy: -633.550 Base-Backbone interact. energy: -2.757 local terms energy: -703.399097 where: bonds (distance) C4'-P energy: -145.170 bonds (distance) P-C4' energy: -128.113 flat angles C4'-P-C4' energy: -154.476 flat angles P-C4'-P energy: -97.637 tors. eta vs tors. theta energy: -178.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1883.841836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.841836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.841836 (E_RNA) where: Base-Base interactions energy: -1213.476 where: short stacking energy: -540.934 Base-Backbone interact. energy: 0.297 local terms energy: -670.662770 where: bonds (distance) C4'-P energy: -139.978 bonds (distance) P-C4' energy: -150.961 flat angles C4'-P-C4' energy: -143.193 flat angles P-C4'-P energy: -97.250 tors. eta vs tors. theta energy: -139.282 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: 1 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1551.638495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.638495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.638495 (E_RNA) where: Base-Base interactions energy: -1000.845 where: short stacking energy: -471.781 Base-Backbone interact. energy: -4.951 local terms energy: -545.842436 where: bonds (distance) C4'-P energy: -110.185 bonds (distance) P-C4' energy: -126.672 flat angles C4'-P-C4' energy: -129.804 flat angles P-C4'-P energy: -68.589 tors. eta vs tors. theta energy: -110.593 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: 10 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -978.796135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.796135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.796135 (E_RNA) where: Base-Base interactions energy: -479.478 where: short stacking energy: -276.535 Base-Backbone interact. energy: -2.972 local terms energy: -496.345974 where: bonds (distance) C4'-P energy: -136.479 bonds (distance) P-C4' energy: -157.193 flat angles C4'-P-C4' energy: -123.466 flat angles P-C4'-P energy: -59.339 tors. eta vs tors. theta energy: -19.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -847.183116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.183116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.183116 (E_RNA) where: Base-Base interactions energy: -416.758 where: short stacking energy: -253.532 Base-Backbone interact. energy: 3.919 local terms energy: -434.344494 where: bonds (distance) C4'-P energy: -94.591 bonds (distance) P-C4' energy: -143.863 flat angles C4'-P-C4' energy: -120.266 flat angles P-C4'-P energy: -72.828 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2957.668591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.668591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.668591 (E_RNA) where: Base-Base interactions energy: -2070.895 where: short stacking energy: -830.019 Base-Backbone interact. energy: -1.744 local terms energy: -885.029439 where: bonds (distance) C4'-P energy: -161.579 bonds (distance) P-C4' energy: -157.312 flat angles C4'-P-C4' energy: -198.605 flat angles P-C4'-P energy: -122.212 tors. eta vs tors. theta energy: -245.321 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: 2, replica: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2862.776380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.776380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.776380 (E_RNA) where: Base-Base interactions energy: -2000.639 where: short stacking energy: -852.171 Base-Backbone interact. energy: -3.045 local terms energy: -859.091939 where: bonds (distance) C4'-P energy: -154.424 bonds (distance) P-C4' energy: -152.407 flat angles C4'-P-C4' energy: -178.000 flat angles P-C4'-P energy: -115.953 tors. eta vs tors. theta energy: -258.308 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: 6 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2736.464716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.464716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.464716 (E_RNA) where: Base-Base interactions energy: -1910.074 where: short stacking energy: -781.365 Base-Backbone interact. energy: -2.887 local terms energy: -823.503758 where: bonds (distance) C4'-P energy: -142.240 bonds (distance) P-C4' energy: -159.632 flat angles C4'-P-C4' energy: -182.947 flat angles P-C4'-P energy: -119.613 tors. eta vs tors. theta energy: -219.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2660.661458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.661458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.661458 (E_RNA) where: Base-Base interactions energy: -1849.635 where: short stacking energy: -752.086 Base-Backbone interact. energy: -1.238 local terms energy: -809.788218 where: bonds (distance) C4'-P energy: -142.726 bonds (distance) P-C4' energy: -154.334 flat angles C4'-P-C4' energy: -170.713 flat angles P-C4'-P energy: -123.896 tors. eta vs tors. theta energy: -218.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2340.128051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.128051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.128051 (E_RNA) where: Base-Base interactions energy: -1565.253 where: short stacking energy: -701.283 Base-Backbone interact. energy: -3.761 local terms energy: -771.113758 where: bonds (distance) C4'-P energy: -141.381 bonds (distance) P-C4' energy: -158.351 flat angles C4'-P-C4' energy: -160.258 flat angles P-C4'-P energy: -110.834 tors. eta vs tors. theta energy: -200.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2245.369608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.369608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.369608 (E_RNA) where: Base-Base interactions energy: -1537.822 where: short stacking energy: -645.329 Base-Backbone interact. energy: -0.580 local terms energy: -706.966909 where: bonds (distance) C4'-P energy: -113.067 bonds (distance) P-C4' energy: -145.262 flat angles C4'-P-C4' energy: -156.466 flat angles P-C4'-P energy: -106.122 tors. eta vs tors. theta energy: -186.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1813.360101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.360101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.360101 (E_RNA) where: Base-Base interactions energy: -1212.072 where: short stacking energy: -494.987 Base-Backbone interact. energy: -2.534 local terms energy: -598.754541 where: bonds (distance) C4'-P energy: -141.972 bonds (distance) P-C4' energy: -134.476 flat angles C4'-P-C4' energy: -146.589 flat angles P-C4'-P energy: -80.814 tors. eta vs tors. theta energy: -94.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1560.948889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.948889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.948889 (E_RNA) where: Base-Base interactions energy: -970.445 where: short stacking energy: -423.733 Base-Backbone interact. energy: -2.103 local terms energy: -588.401051 where: bonds (distance) C4'-P energy: -131.894 bonds (distance) P-C4' energy: -153.623 flat angles C4'-P-C4' energy: -150.419 flat angles P-C4'-P energy: -84.235 tors. eta vs tors. theta energy: -68.231 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: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1003.108847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.108847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.108847 (E_RNA) where: Base-Base interactions energy: -547.949 where: short stacking energy: -271.856 Base-Backbone interact. energy: 3.961 local terms energy: -459.120939 where: bonds (distance) C4'-P energy: -122.299 bonds (distance) P-C4' energy: -140.126 flat angles C4'-P-C4' energy: -116.846 flat angles P-C4'-P energy: -69.119 tors. eta vs tors. theta energy: -10.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -819.691492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.691492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.691492 (E_RNA) where: Base-Base interactions energy: -388.013 where: short stacking energy: -237.566 Base-Backbone interact. energy: 3.460 local terms energy: -435.137677 where: bonds (distance) C4'-P energy: -131.563 bonds (distance) P-C4' energy: -125.773 flat angles C4'-P-C4' energy: -109.206 flat angles P-C4'-P energy: -82.150 tors. eta vs tors. theta energy: 13.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2947.214591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.214591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.214591 (E_RNA) where: Base-Base interactions energy: -2079.093 where: short stacking energy: -830.363 Base-Backbone interact. energy: -0.898 local terms energy: -867.224115 where: bonds (distance) C4'-P energy: -145.468 bonds (distance) P-C4' energy: -162.505 flat angles C4'-P-C4' energy: -180.081 flat angles P-C4'-P energy: -135.887 tors. eta vs tors. theta energy: -243.282 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: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2856.731109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.731109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.731109 (E_RNA) where: Base-Base interactions energy: -1970.369 where: short stacking energy: -854.846 Base-Backbone interact. energy: 2.560 local terms energy: -888.922455 where: bonds (distance) C4'-P energy: -157.264 bonds (distance) P-C4' energy: -159.420 flat angles C4'-P-C4' energy: -188.446 flat angles P-C4'-P energy: -128.860 tors. eta vs tors. theta energy: -254.932 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: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2719.488414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.488414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.488414 (E_RNA) where: Base-Base interactions energy: -1907.221 where: short stacking energy: -805.805 Base-Backbone interact. energy: -2.303 local terms energy: -809.964043 where: bonds (distance) C4'-P energy: -152.220 bonds (distance) P-C4' energy: -148.421 flat angles C4'-P-C4' energy: -182.400 flat angles P-C4'-P energy: -104.410 tors. eta vs tors. theta energy: -222.513 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: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2652.552364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.552364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.552364 (E_RNA) where: Base-Base interactions energy: -1842.279 where: short stacking energy: -739.486 Base-Backbone interact. energy: -2.315 local terms energy: -807.958414 where: bonds (distance) C4'-P energy: -152.830 bonds (distance) P-C4' energy: -143.813 flat angles C4'-P-C4' energy: -177.023 flat angles P-C4'-P energy: -109.877 tors. eta vs tors. theta energy: -224.415 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: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2363.231642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.231642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.231642 (E_RNA) where: Base-Base interactions energy: -1601.091 where: short stacking energy: -697.652 Base-Backbone interact. energy: -0.907 local terms energy: -761.234356 where: bonds (distance) C4'-P energy: -135.450 bonds (distance) P-C4' energy: -140.497 flat angles C4'-P-C4' energy: -172.400 flat angles P-C4'-P energy: -108.988 tors. eta vs tors. theta energy: -203.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2241.012607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.012607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.012607 (E_RNA) where: Base-Base interactions energy: -1501.037 where: short stacking energy: -638.506 Base-Backbone interact. energy: -4.468 local terms energy: -735.507451 where: bonds (distance) C4'-P energy: -125.350 bonds (distance) P-C4' energy: -144.699 flat angles C4'-P-C4' energy: -182.645 flat angles P-C4'-P energy: -107.766 tors. eta vs tors. theta energy: -175.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1882.635144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.635144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.635144 (E_RNA) where: Base-Base interactions energy: -1263.619 where: short stacking energy: -564.827 Base-Backbone interact. energy: -1.199 local terms energy: -617.817120 where: bonds (distance) C4'-P energy: -134.023 bonds (distance) P-C4' energy: -154.971 flat angles C4'-P-C4' energy: -130.424 flat angles P-C4'-P energy: -71.974 tors. eta vs tors. theta energy: -126.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1466.264508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.264508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.264508 (E_RNA) where: Base-Base interactions energy: -883.803 where: short stacking energy: -395.790 Base-Backbone interact. energy: -2.813 local terms energy: -579.648442 where: bonds (distance) C4'-P energy: -144.644 bonds (distance) P-C4' energy: -146.381 flat angles C4'-P-C4' energy: -137.517 flat angles P-C4'-P energy: -85.989 tors. eta vs tors. theta energy: -65.118 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: 10 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1074.973692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.973692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.973692 (E_RNA) where: Base-Base interactions energy: -588.747 where: short stacking energy: -309.402 Base-Backbone interact. energy: -6.298 local terms energy: -479.928838 where: bonds (distance) C4'-P energy: -111.953 bonds (distance) P-C4' energy: -132.869 flat angles C4'-P-C4' energy: -129.874 flat angles P-C4'-P energy: -71.843 tors. eta vs tors. theta energy: -33.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -780.031805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.031805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.031805 (E_RNA) where: Base-Base interactions energy: -342.255 where: short stacking energy: -168.096 Base-Backbone interact. energy: 1.479 local terms energy: -439.256646 where: bonds (distance) C4'-P energy: -137.788 bonds (distance) P-C4' energy: -146.125 flat angles C4'-P-C4' energy: -114.283 flat angles P-C4'-P energy: -66.734 tors. eta vs tors. theta energy: 25.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2986.311871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.311871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.311871 (E_RNA) where: Base-Base interactions energy: -2078.915 where: short stacking energy: -816.620 Base-Backbone interact. energy: -4.692 local terms energy: -902.704583 where: bonds (distance) C4'-P energy: -172.877 bonds (distance) P-C4' energy: -174.356 flat angles C4'-P-C4' energy: -193.843 flat angles P-C4'-P energy: -115.389 tors. eta vs tors. theta energy: -246.240 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: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2902.118018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.118018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.118018 (E_RNA) where: Base-Base interactions energy: -1993.710 where: short stacking energy: -851.891 Base-Backbone interact. energy: -3.862 local terms energy: -904.546068 where: bonds (distance) C4'-P energy: -167.351 bonds (distance) P-C4' energy: -158.985 flat angles C4'-P-C4' energy: -192.452 flat angles P-C4'-P energy: -127.242 tors. eta vs tors. theta energy: -258.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2710.443684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.443684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.443684 (E_RNA) where: Base-Base interactions energy: -1892.875 where: short stacking energy: -780.349 Base-Backbone interact. energy: 2.117 local terms energy: -819.685190 where: bonds (distance) C4'-P energy: -155.804 bonds (distance) P-C4' energy: -140.624 flat angles C4'-P-C4' energy: -187.978 flat angles P-C4'-P energy: -113.597 tors. eta vs tors. theta energy: -221.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2643.230154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.230154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.230154 (E_RNA) where: Base-Base interactions energy: -1833.279 where: short stacking energy: -754.251 Base-Backbone interact. energy: 1.774 local terms energy: -811.724726 where: bonds (distance) C4'-P energy: -152.009 bonds (distance) P-C4' energy: -163.125 flat angles C4'-P-C4' energy: -168.985 flat angles P-C4'-P energy: -109.365 tors. eta vs tors. theta energy: -218.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2377.694893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.694893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.694893 (E_RNA) where: Base-Base interactions energy: -1612.593 where: short stacking energy: -678.660 Base-Backbone interact. energy: 1.799 local terms energy: -766.900728 where: bonds (distance) C4'-P energy: -155.276 bonds (distance) P-C4' energy: -157.743 flat angles C4'-P-C4' energy: -169.316 flat angles P-C4'-P energy: -101.243 tors. eta vs tors. theta energy: -183.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2210.984519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.984519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.984519 (E_RNA) where: Base-Base interactions energy: -1531.500 where: short stacking energy: -632.564 Base-Backbone interact. energy: -2.498 local terms energy: -676.986961 where: bonds (distance) C4'-P energy: -130.410 bonds (distance) P-C4' energy: -132.707 flat angles C4'-P-C4' energy: -154.812 flat angles P-C4'-P energy: -86.099 tors. eta vs tors. theta energy: -172.960 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: 7 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1910.270753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.270753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.270753 (E_RNA) where: Base-Base interactions energy: -1222.334 where: short stacking energy: -556.634 Base-Backbone interact. energy: 3.501 local terms energy: -691.437128 where: bonds (distance) C4'-P energy: -154.358 bonds (distance) P-C4' energy: -130.432 flat angles C4'-P-C4' energy: -170.426 flat angles P-C4'-P energy: -93.034 tors. eta vs tors. theta energy: -143.187 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: 8, replica: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1483.649716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.649716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.649716 (E_RNA) where: Base-Base interactions energy: -917.081 where: short stacking energy: -409.485 Base-Backbone interact. energy: -2.823 local terms energy: -563.745086 where: bonds (distance) C4'-P energy: -127.033 bonds (distance) P-C4' energy: -132.382 flat angles C4'-P-C4' energy: -153.142 flat angles P-C4'-P energy: -62.761 tors. eta vs tors. theta energy: -88.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -957.700742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.700742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.700742 (E_RNA) where: Base-Base interactions energy: -499.990 where: short stacking energy: -302.916 Base-Backbone interact. energy: 0.032 local terms energy: -457.743168 where: bonds (distance) C4'-P energy: -127.801 bonds (distance) P-C4' energy: -126.347 flat angles C4'-P-C4' energy: -116.998 flat angles P-C4'-P energy: -80.202 tors. eta vs tors. theta energy: -6.396 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: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -772.833449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.833449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.833449 (E_RNA) where: Base-Base interactions energy: -353.693 where: short stacking energy: -202.163 Base-Backbone interact. energy: -2.857 local terms energy: -416.283343 where: bonds (distance) C4'-P energy: -134.594 bonds (distance) P-C4' energy: -130.258 flat angles C4'-P-C4' energy: -126.207 flat angles P-C4'-P energy: -46.055 tors. eta vs tors. theta energy: 20.831 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: 5 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2963.386940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.386940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.386940 (E_RNA) where: Base-Base interactions energy: -2106.430 where: short stacking energy: -822.341 Base-Backbone interact. energy: 2.021 local terms energy: -858.978026 where: bonds (distance) C4'-P energy: -168.528 bonds (distance) P-C4' energy: -155.767 flat angles C4'-P-C4' energy: -179.530 flat angles P-C4'-P energy: -121.758 tors. eta vs tors. theta energy: -233.395 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: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2850.801164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.801164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.801164 (E_RNA) where: Base-Base interactions energy: -1971.018 where: short stacking energy: -825.487 Base-Backbone interact. energy: -3.054 local terms energy: -876.728342 where: bonds (distance) C4'-P energy: -155.839 bonds (distance) P-C4' energy: -146.737 flat angles C4'-P-C4' energy: -189.900 flat angles P-C4'-P energy: -136.206 tors. eta vs tors. theta energy: -248.047 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: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2732.817019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.817019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.817019 (E_RNA) where: Base-Base interactions energy: -1904.762 where: short stacking energy: -803.899 Base-Backbone interact. energy: -1.179 local terms energy: -826.875509 where: bonds (distance) C4'-P energy: -156.731 bonds (distance) P-C4' energy: -141.902 flat angles C4'-P-C4' energy: -178.257 flat angles P-C4'-P energy: -124.684 tors. eta vs tors. theta energy: -225.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2637.150112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.150112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.150112 (E_RNA) where: Base-Base interactions energy: -1843.668 where: short stacking energy: -743.265 Base-Backbone interact. energy: 0.807 local terms energy: -794.288596 where: bonds (distance) C4'-P energy: -143.371 bonds (distance) P-C4' energy: -156.379 flat angles C4'-P-C4' energy: -169.892 flat angles P-C4'-P energy: -101.825 tors. eta vs tors. theta energy: -222.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2421.131914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.131914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.131914 (E_RNA) where: Base-Base interactions energy: -1678.184 where: short stacking energy: -718.607 Base-Backbone interact. energy: -2.970 local terms energy: -739.977561 where: bonds (distance) C4'-P energy: -139.317 bonds (distance) P-C4' energy: -150.875 flat angles C4'-P-C4' energy: -169.556 flat angles P-C4'-P energy: -81.054 tors. eta vs tors. theta energy: -199.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2276.750900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.750900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.750900 (E_RNA) where: Base-Base interactions energy: -1553.830 where: short stacking energy: -647.130 Base-Backbone interact. energy: -4.124 local terms energy: -718.796597 where: bonds (distance) C4'-P energy: -144.608 bonds (distance) P-C4' energy: -128.398 flat angles C4'-P-C4' energy: -173.019 flat angles P-C4'-P energy: -91.331 tors. eta vs tors. theta energy: -181.441 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: 7, replica: 7 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1848.274737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.274737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.274737 (E_RNA) where: Base-Base interactions energy: -1174.904 where: short stacking energy: -562.436 Base-Backbone interact. energy: 1.718 local terms energy: -675.088734 where: bonds (distance) C4'-P energy: -129.664 bonds (distance) P-C4' energy: -130.811 flat angles C4'-P-C4' energy: -165.090 flat angles P-C4'-P energy: -99.112 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: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1553.226574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.226574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.226574 (E_RNA) where: Base-Base interactions energy: -959.795 where: short stacking energy: -425.766 Base-Backbone interact. energy: -2.938 local terms energy: -590.492803 where: bonds (distance) C4'-P energy: -135.045 bonds (distance) P-C4' energy: -150.539 flat angles C4'-P-C4' energy: -134.315 flat angles P-C4'-P energy: -92.129 tors. eta vs tors. theta energy: -78.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -935.765329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.765329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.765329 (E_RNA) where: Base-Base interactions energy: -470.438 where: short stacking energy: -249.427 Base-Backbone interact. energy: -1.342 local terms energy: -463.985834 where: bonds (distance) C4'-P energy: -143.349 bonds (distance) P-C4' energy: -138.372 flat angles C4'-P-C4' energy: -128.079 flat angles P-C4'-P energy: -64.722 tors. eta vs tors. theta energy: 10.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -759.740125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.740125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.740125 (E_RNA) where: Base-Base interactions energy: -377.337 where: short stacking energy: -208.406 Base-Backbone interact. energy: -2.622 local terms energy: -379.781831 where: bonds (distance) C4'-P energy: -144.164 bonds (distance) P-C4' energy: -109.380 flat angles C4'-P-C4' energy: -100.807 flat angles P-C4'-P energy: -49.465 tors. eta vs tors. theta energy: 24.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2988.209270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.209270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.209270 (E_RNA) where: Base-Base interactions energy: -2095.608 where: short stacking energy: -857.511 Base-Backbone interact. energy: -4.816 local terms energy: -887.785005 where: bonds (distance) C4'-P energy: -169.799 bonds (distance) P-C4' energy: -141.005 flat angles C4'-P-C4' energy: -190.931 flat angles P-C4'-P energy: -139.924 tors. eta vs tors. theta energy: -246.126 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: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2861.319153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.319153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.319153 (E_RNA) where: Base-Base interactions energy: -1977.777 where: short stacking energy: -823.559 Base-Backbone interact. energy: -3.521 local terms energy: -880.021838 where: bonds (distance) C4'-P energy: -139.850 bonds (distance) P-C4' energy: -160.478 flat angles C4'-P-C4' energy: -189.293 flat angles P-C4'-P energy: -139.192 tors. eta vs tors. theta energy: -251.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2718.780605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.780605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.780605 (E_RNA) where: Base-Base interactions energy: -1884.685 where: short stacking energy: -765.733 Base-Backbone interact. energy: 0.950 local terms energy: -835.045984 where: bonds (distance) C4'-P energy: -150.040 bonds (distance) P-C4' energy: -160.349 flat angles C4'-P-C4' energy: -183.806 flat angles P-C4'-P energy: -130.460 tors. eta vs tors. theta energy: -210.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2649.400779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.400779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.400779 (E_RNA) where: Base-Base interactions energy: -1843.452 where: short stacking energy: -771.314 Base-Backbone interact. energy: -1.800 local terms energy: -804.149004 where: bonds (distance) C4'-P energy: -141.937 bonds (distance) P-C4' energy: -149.655 flat angles C4'-P-C4' energy: -188.374 flat angles P-C4'-P energy: -97.060 tors. eta vs tors. theta energy: -227.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2437.852158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.852158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.852158 (E_RNA) where: Base-Base interactions energy: -1692.673 where: short stacking energy: -730.313 Base-Backbone interact. energy: -5.803 local terms energy: -739.376650 where: bonds (distance) C4'-P energy: -146.811 bonds (distance) P-C4' energy: -128.809 flat angles C4'-P-C4' energy: -162.668 flat angles P-C4'-P energy: -110.757 tors. eta vs tors. theta energy: -190.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2211.906787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.906787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.906787 (E_RNA) where: Base-Base interactions energy: -1518.432 where: short stacking energy: -622.055 Base-Backbone interact. energy: -4.835 local terms energy: -688.640161 where: bonds (distance) C4'-P energy: -130.675 bonds (distance) P-C4' energy: -150.357 flat angles C4'-P-C4' energy: -147.486 flat angles P-C4'-P energy: -94.613 tors. eta vs tors. theta energy: -165.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1856.373644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.373644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.373644 (E_RNA) where: Base-Base interactions energy: -1226.973 where: short stacking energy: -529.193 Base-Backbone interact. energy: -4.307 local terms energy: -625.093767 where: bonds (distance) C4'-P energy: -116.427 bonds (distance) P-C4' energy: -134.339 flat angles C4'-P-C4' energy: -146.961 flat angles P-C4'-P energy: -94.182 tors. eta vs tors. theta energy: -133.185 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: 8, replica: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1532.758924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.758924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.758924 (E_RNA) where: Base-Base interactions energy: -967.050 where: short stacking energy: -405.878 Base-Backbone interact. energy: -3.384 local terms energy: -562.325069 where: bonds (distance) C4'-P energy: -141.015 bonds (distance) P-C4' energy: -129.807 flat angles C4'-P-C4' energy: -131.901 flat angles P-C4'-P energy: -81.085 tors. eta vs tors. theta energy: -78.518 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: 450 Temperature: 1.300000 Total energy: -940.830450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.830450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.830450 (E_RNA) where: Base-Base interactions energy: -458.414 where: short stacking energy: -242.804 Base-Backbone interact. energy: 3.998 local terms energy: -486.413713 where: bonds (distance) C4'-P energy: -134.419 bonds (distance) P-C4' energy: -136.209 flat angles C4'-P-C4' energy: -141.653 flat angles P-C4'-P energy: -80.603 tors. eta vs tors. theta energy: 6.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -848.847907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.847907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.847907 (E_RNA) where: Base-Base interactions energy: -421.572 where: short stacking energy: -244.816 Base-Backbone interact. energy: 0.699 local terms energy: -427.974947 where: bonds (distance) C4'-P energy: -124.454 bonds (distance) P-C4' energy: -135.084 flat angles C4'-P-C4' energy: -118.158 flat angles P-C4'-P energy: -53.813 tors. eta vs tors. theta energy: 3.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2957.822643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.822643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.822643 (E_RNA) where: Base-Base interactions energy: -2076.443 where: short stacking energy: -842.843 Base-Backbone interact. energy: -0.839 local terms energy: -880.540170 where: bonds (distance) C4'-P energy: -163.162 bonds (distance) P-C4' energy: -169.850 flat angles C4'-P-C4' energy: -186.175 flat angles P-C4'-P energy: -121.548 tors. eta vs tors. theta energy: -239.804 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: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2850.763246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.763246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.763246 (E_RNA) where: Base-Base interactions energy: -1957.928 where: short stacking energy: -821.556 Base-Backbone interact. energy: 1.041 local terms energy: -893.877080 where: bonds (distance) C4'-P energy: -152.743 bonds (distance) P-C4' energy: -167.771 flat angles C4'-P-C4' energy: -180.752 flat angles P-C4'-P energy: -134.085 tors. eta vs tors. theta energy: -258.526 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: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2724.857566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.857566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.857566 (E_RNA) where: Base-Base interactions energy: -1885.038 where: short stacking energy: -820.679 Base-Backbone interact. energy: -1.323 local terms energy: -838.497255 where: bonds (distance) C4'-P energy: -150.247 bonds (distance) P-C4' energy: -169.330 flat angles C4'-P-C4' energy: -165.296 flat angles P-C4'-P energy: -122.282 tors. eta vs tors. theta energy: -231.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2686.835197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.835197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.835197 (E_RNA) where: Base-Base interactions energy: -1857.919 where: short stacking energy: -777.403 Base-Backbone interact. energy: -5.715 local terms energy: -823.200841 where: bonds (distance) C4'-P energy: -141.177 bonds (distance) P-C4' energy: -161.907 flat angles C4'-P-C4' energy: -193.199 flat angles P-C4'-P energy: -93.695 tors. eta vs tors. theta energy: -233.223 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: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2436.372730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.372730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.372730 (E_RNA) where: Base-Base interactions energy: -1659.404 where: short stacking energy: -723.099 Base-Backbone interact. energy: -3.994 local terms energy: -772.974500 where: bonds (distance) C4'-P energy: -143.292 bonds (distance) P-C4' energy: -152.080 flat angles C4'-P-C4' energy: -162.834 flat angles P-C4'-P energy: -99.318 tors. eta vs tors. theta energy: -215.450 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: 8 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2255.269036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.269036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.269036 (E_RNA) where: Base-Base interactions energy: -1541.571 where: short stacking energy: -654.443 Base-Backbone interact. energy: -3.113 local terms energy: -710.585292 where: bonds (distance) C4'-P energy: -132.994 bonds (distance) P-C4' energy: -128.042 flat angles C4'-P-C4' energy: -156.851 flat angles P-C4'-P energy: -103.523 tors. eta vs tors. theta energy: -189.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1869.005150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.005150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.005150 (E_RNA) where: Base-Base interactions energy: -1226.916 where: short stacking energy: -545.828 Base-Backbone interact. energy: -0.226 local terms energy: -641.863099 where: bonds (distance) C4'-P energy: -151.055 bonds (distance) P-C4' energy: -121.939 flat angles C4'-P-C4' energy: -146.912 flat angles P-C4'-P energy: -79.924 tors. eta vs tors. theta energy: -142.033 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: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1595.177035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.177035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.177035 (E_RNA) where: Base-Base interactions energy: -1003.347 where: short stacking energy: -471.917 Base-Backbone interact. energy: 4.361 local terms energy: -596.191070 where: bonds (distance) C4'-P energy: -134.112 bonds (distance) P-C4' energy: -126.679 flat angles C4'-P-C4' energy: -151.926 flat angles P-C4'-P energy: -75.349 tors. eta vs tors. theta energy: -108.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -983.104158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.104158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.104158 (E_RNA) where: Base-Base interactions energy: -507.162 where: short stacking energy: -301.436 Base-Backbone interact. energy: -2.466 local terms energy: -473.476036 where: bonds (distance) C4'-P energy: -127.361 bonds (distance) P-C4' energy: -138.519 flat angles C4'-P-C4' energy: -105.098 flat angles P-C4'-P energy: -68.116 tors. eta vs tors. theta energy: -34.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -820.305495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.305495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.305495 (E_RNA) where: Base-Base interactions energy: -362.962 where: short stacking energy: -211.476 Base-Backbone interact. energy: -2.372 local terms energy: -454.971567 where: bonds (distance) C4'-P energy: -117.943 bonds (distance) P-C4' energy: -127.653 flat angles C4'-P-C4' energy: -134.073 flat angles P-C4'-P energy: -80.069 tors. eta vs tors. theta energy: 4.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2965.927552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.927552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.927552 (E_RNA) where: Base-Base interactions energy: -2061.219 where: short stacking energy: -849.033 Base-Backbone interact. energy: -5.809 local terms energy: -898.900107 where: bonds (distance) C4'-P energy: -174.710 bonds (distance) P-C4' energy: -159.315 flat angles C4'-P-C4' energy: -190.183 flat angles P-C4'-P energy: -127.130 tors. eta vs tors. theta energy: -247.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2869.857868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.857868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.857868 (E_RNA) where: Base-Base interactions energy: -1979.696 where: short stacking energy: -833.430 Base-Backbone interact. energy: 0.268 local terms energy: -890.429580 where: bonds (distance) C4'-P energy: -175.078 bonds (distance) P-C4' energy: -161.889 flat angles C4'-P-C4' energy: -182.695 flat angles P-C4'-P energy: -119.282 tors. eta vs tors. theta energy: -251.486 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: 6 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2731.496679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.496679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.496679 (E_RNA) where: Base-Base interactions energy: -1876.616 where: short stacking energy: -805.990 Base-Backbone interact. energy: -0.226 local terms energy: -854.653830 where: bonds (distance) C4'-P energy: -147.493 bonds (distance) P-C4' energy: -172.986 flat angles C4'-P-C4' energy: -188.905 flat angles P-C4'-P energy: -112.959 tors. eta vs tors. theta energy: -232.311 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: 4, replica: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2664.993835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.993835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.993835 (E_RNA) where: Base-Base interactions energy: -1831.572 where: short stacking energy: -781.434 Base-Backbone interact. energy: -1.299 local terms energy: -832.123134 where: bonds (distance) C4'-P energy: -148.921 bonds (distance) P-C4' energy: -142.899 flat angles C4'-P-C4' energy: -177.460 flat angles P-C4'-P energy: -128.017 tors. eta vs tors. theta energy: -234.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2430.864373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.864373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.864373 (E_RNA) where: Base-Base interactions energy: -1637.923 where: short stacking energy: -708.211 Base-Backbone interact. energy: -3.726 local terms energy: -789.215636 where: bonds (distance) C4'-P energy: -153.755 bonds (distance) P-C4' energy: -135.404 flat angles C4'-P-C4' energy: -168.951 flat angles P-C4'-P energy: -113.244 tors. eta vs tors. theta energy: -217.861 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: 8 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2328.563150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.563150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.563150 (E_RNA) where: Base-Base interactions energy: -1591.938 where: short stacking energy: -631.156 Base-Backbone interact. energy: -0.685 local terms energy: -735.939642 where: bonds (distance) C4'-P energy: -144.951 bonds (distance) P-C4' energy: -146.524 flat angles C4'-P-C4' energy: -156.932 flat angles P-C4'-P energy: -112.894 tors. eta vs tors. theta energy: -174.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1841.302187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.302187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.302187 (E_RNA) where: Base-Base interactions energy: -1218.962 where: short stacking energy: -544.665 Base-Backbone interact. energy: -4.310 local terms energy: -618.029509 where: bonds (distance) C4'-P energy: -123.192 bonds (distance) P-C4' energy: -126.106 flat angles C4'-P-C4' energy: -147.901 flat angles P-C4'-P energy: -75.173 tors. eta vs tors. theta energy: -145.657 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: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1590.924068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.924068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.924068 (E_RNA) where: Base-Base interactions energy: -997.977 where: short stacking energy: -466.983 Base-Backbone interact. energy: -2.946 local terms energy: -590.001898 where: bonds (distance) C4'-P energy: -147.495 bonds (distance) P-C4' energy: -144.199 flat angles C4'-P-C4' energy: -125.594 flat angles P-C4'-P energy: -73.685 tors. eta vs tors. theta energy: -99.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -930.386951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.386951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.386951 (E_RNA) where: Base-Base interactions energy: -457.800 where: short stacking energy: -243.770 Base-Backbone interact. energy: 3.777 local terms energy: -476.364031 where: bonds (distance) C4'-P energy: -117.492 bonds (distance) P-C4' energy: -153.999 flat angles C4'-P-C4' energy: -121.388 flat angles P-C4'-P energy: -90.980 tors. eta vs tors. theta energy: 7.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -773.499755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.499755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.499755 (E_RNA) where: Base-Base interactions energy: -336.709 where: short stacking energy: -215.963 Base-Backbone interact. energy: 0.304 local terms energy: -437.094722 where: bonds (distance) C4'-P energy: -115.811 bonds (distance) P-C4' energy: -136.910 flat angles C4'-P-C4' energy: -126.374 flat angles P-C4'-P energy: -69.412 tors. eta vs tors. theta energy: 11.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2965.143704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.143704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.143704 (E_RNA) where: Base-Base interactions energy: -2075.591 where: short stacking energy: -832.144 Base-Backbone interact. energy: -4.098 local terms energy: -885.455206 where: bonds (distance) C4'-P energy: -165.087 bonds (distance) P-C4' energy: -165.108 flat angles C4'-P-C4' energy: -182.002 flat angles P-C4'-P energy: -122.194 tors. eta vs tors. theta energy: -251.064 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: 4 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2865.319524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.319524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.319524 (E_RNA) where: Base-Base interactions energy: -2008.724 where: short stacking energy: -856.282 Base-Backbone interact. energy: -1.909 local terms energy: -854.686678 where: bonds (distance) C4'-P energy: -146.130 bonds (distance) P-C4' energy: -148.306 flat angles C4'-P-C4' energy: -185.995 flat angles P-C4'-P energy: -124.615 tors. eta vs tors. theta energy: -249.641 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: 6 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2701.996128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.996128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.996128 (E_RNA) where: Base-Base interactions energy: -1881.230 where: short stacking energy: -802.195 Base-Backbone interact. energy: -3.229 local terms energy: -817.537269 where: bonds (distance) C4'-P energy: -133.403 bonds (distance) P-C4' energy: -147.037 flat angles C4'-P-C4' energy: -190.703 flat angles P-C4'-P energy: -120.259 tors. eta vs tors. theta energy: -226.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2663.717519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.717519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.717519 (E_RNA) where: Base-Base interactions energy: -1842.096 where: short stacking energy: -763.353 Base-Backbone interact. energy: 0.015 local terms energy: -821.635953 where: bonds (distance) C4'-P energy: -151.159 bonds (distance) P-C4' energy: -155.004 flat angles C4'-P-C4' energy: -177.079 flat angles P-C4'-P energy: -113.285 tors. eta vs tors. theta energy: -225.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2411.934068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.934068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.934068 (E_RNA) where: Base-Base interactions energy: -1601.498 where: short stacking energy: -711.615 Base-Backbone interact. energy: -2.164 local terms energy: -808.272276 where: bonds (distance) C4'-P energy: -167.733 bonds (distance) P-C4' energy: -157.377 flat angles C4'-P-C4' energy: -169.991 flat angles P-C4'-P energy: -103.863 tors. eta vs tors. theta energy: -209.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2327.009009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.009009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.009009 (E_RNA) where: Base-Base interactions energy: -1602.649 where: short stacking energy: -663.628 Base-Backbone interact. energy: -3.461 local terms energy: -720.898544 where: bonds (distance) C4'-P energy: -148.695 bonds (distance) P-C4' energy: -117.419 flat angles C4'-P-C4' energy: -158.239 flat angles P-C4'-P energy: -105.987 tors. eta vs tors. theta energy: -190.559 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: 453 Temperature: 1.200000 Total energy: -1810.568708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.568708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.568708 (E_RNA) where: Base-Base interactions energy: -1162.508 where: short stacking energy: -544.787 Base-Backbone interact. energy: 0.362 local terms energy: -648.423122 where: bonds (distance) C4'-P energy: -127.428 bonds (distance) P-C4' energy: -127.047 flat angles C4'-P-C4' energy: -159.265 flat angles P-C4'-P energy: -103.462 tors. eta vs tors. theta energy: -131.221 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: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1617.712629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.712629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.712629 (E_RNA) where: Base-Base interactions energy: -1033.293 where: short stacking energy: -453.583 Base-Backbone interact. energy: -5.017 local terms energy: -579.403337 where: bonds (distance) C4'-P energy: -135.713 bonds (distance) P-C4' energy: -137.756 flat angles C4'-P-C4' energy: -144.083 flat angles P-C4'-P energy: -79.506 tors. eta vs tors. theta energy: -82.345 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: 10 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -919.458643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.458643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.458643 (E_RNA) where: Base-Base interactions energy: -431.042 where: short stacking energy: -234.279 Base-Backbone interact. energy: 8.788 local terms energy: -497.204755 where: bonds (distance) C4'-P energy: -152.674 bonds (distance) P-C4' energy: -149.829 flat angles C4'-P-C4' energy: -119.410 flat angles P-C4'-P energy: -81.819 tors. eta vs tors. theta energy: 6.528 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: 10, replica: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -816.804925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.804925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.804925 (E_RNA) where: Base-Base interactions energy: -359.752 where: short stacking energy: -219.076 Base-Backbone interact. energy: 2.528 local terms energy: -459.581345 where: bonds (distance) C4'-P energy: -122.830 bonds (distance) P-C4' energy: -139.672 flat angles C4'-P-C4' energy: -129.867 flat angles P-C4'-P energy: -70.466 tors. eta vs tors. theta energy: 3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2969.788126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.788126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.788126 (E_RNA) where: Base-Base interactions energy: -2083.970 where: short stacking energy: -838.107 Base-Backbone interact. energy: -3.797 local terms energy: -882.020798 where: bonds (distance) C4'-P energy: -160.260 bonds (distance) P-C4' energy: -157.414 flat angles C4'-P-C4' energy: -182.770 flat angles P-C4'-P energy: -133.856 tors. eta vs tors. theta energy: -247.721 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: 454 Temperature: 0.950000 Total energy: -2861.512592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.512592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.512592 (E_RNA) where: Base-Base interactions energy: -1964.800 where: short stacking energy: -845.016 Base-Backbone interact. energy: -4.736 local terms energy: -891.976426 where: bonds (distance) C4'-P energy: -168.555 bonds (distance) P-C4' energy: -165.557 flat angles C4'-P-C4' energy: -178.506 flat angles P-C4'-P energy: -127.549 tors. eta vs tors. theta energy: -251.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2716.840350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.840350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.840350 (E_RNA) where: Base-Base interactions energy: -1864.649 where: short stacking energy: -762.871 Base-Backbone interact. energy: -1.838 local terms energy: -850.352903 where: bonds (distance) C4'-P energy: -158.917 bonds (distance) P-C4' energy: -166.984 flat angles C4'-P-C4' energy: -181.162 flat angles P-C4'-P energy: -124.255 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: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2593.112408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.112408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.112408 (E_RNA) where: Base-Base interactions energy: -1748.761 where: short stacking energy: -734.583 Base-Backbone interact. energy: -6.865 local terms energy: -837.486304 where: bonds (distance) C4'-P energy: -148.045 bonds (distance) P-C4' energy: -167.911 flat angles C4'-P-C4' energy: -178.103 flat angles P-C4'-P energy: -127.416 tors. eta vs tors. theta energy: -216.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2374.478677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.478677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.478677 (E_RNA) where: Base-Base interactions energy: -1611.097 where: short stacking energy: -688.790 Base-Backbone interact. energy: -3.832 local terms energy: -759.549631 where: bonds (distance) C4'-P energy: -151.691 bonds (distance) P-C4' energy: -162.817 flat angles C4'-P-C4' energy: -165.612 flat angles P-C4'-P energy: -85.945 tors. eta vs tors. theta energy: -193.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2276.895388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.895388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.895388 (E_RNA) where: Base-Base interactions energy: -1560.081 where: short stacking energy: -659.955 Base-Backbone interact. energy: -5.072 local terms energy: -711.742873 where: bonds (distance) C4'-P energy: -147.780 bonds (distance) P-C4' energy: -148.113 flat angles C4'-P-C4' energy: -144.026 flat angles P-C4'-P energy: -93.015 tors. eta vs tors. theta energy: -178.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1888.776572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.776572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.776572 (E_RNA) where: Base-Base interactions energy: -1255.399 where: short stacking energy: -547.326 Base-Backbone interact. energy: -2.724 local terms energy: -630.653976 where: bonds (distance) C4'-P energy: -123.865 bonds (distance) P-C4' energy: -132.982 flat angles C4'-P-C4' energy: -147.737 flat angles P-C4'-P energy: -92.444 tors. eta vs tors. theta energy: -133.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1658.694409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.694409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.694409 (E_RNA) where: Base-Base interactions energy: -1095.523 where: short stacking energy: -460.338 Base-Backbone interact. energy: 0.457 local terms energy: -563.629200 where: bonds (distance) C4'-P energy: -86.484 bonds (distance) P-C4' energy: -146.699 flat angles C4'-P-C4' energy: -129.146 flat angles P-C4'-P energy: -95.060 tors. eta vs tors. theta energy: -106.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -990.283513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.283513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.283513 (E_RNA) where: Base-Base interactions energy: -499.461 where: short stacking energy: -274.452 Base-Backbone interact. energy: 2.197 local terms energy: -493.019566 where: bonds (distance) C4'-P energy: -130.101 bonds (distance) P-C4' energy: -125.367 flat angles C4'-P-C4' energy: -137.756 flat angles P-C4'-P energy: -95.701 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -799.944845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.944845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.944845 (E_RNA) where: Base-Base interactions energy: -382.107 where: short stacking energy: -232.928 Base-Backbone interact. energy: -2.770 local terms energy: -415.067413 where: bonds (distance) C4'-P energy: -111.310 bonds (distance) P-C4' energy: -145.237 flat angles C4'-P-C4' energy: -115.944 flat angles P-C4'-P energy: -48.190 tors. eta vs tors. theta energy: 5.613 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: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2987.722877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.722877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.722877 (E_RNA) where: Base-Base interactions energy: -2076.766 where: short stacking energy: -826.409 Base-Backbone interact. energy: -5.960 local terms energy: -904.996728 where: bonds (distance) C4'-P energy: -170.593 bonds (distance) P-C4' energy: -165.034 flat angles C4'-P-C4' energy: -187.339 flat angles P-C4'-P energy: -129.412 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: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2863.836281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.836281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.836281 (E_RNA) where: Base-Base interactions energy: -1970.578 where: short stacking energy: -843.024 Base-Backbone interact. energy: -1.685 local terms energy: -891.573246 where: bonds (distance) C4'-P energy: -172.952 bonds (distance) P-C4' energy: -164.616 flat angles C4'-P-C4' energy: -187.941 flat angles P-C4'-P energy: -121.986 tors. eta vs tors. theta energy: -244.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2756.599585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.599585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.599585 (E_RNA) where: Base-Base interactions energy: -1930.921 where: short stacking energy: -785.038 Base-Backbone interact. energy: 2.988 local terms energy: -828.666627 where: bonds (distance) C4'-P energy: -142.597 bonds (distance) P-C4' energy: -147.932 flat angles C4'-P-C4' energy: -189.403 flat angles P-C4'-P energy: -114.420 tors. eta vs tors. theta energy: -234.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2631.641399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.641399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.641399 (E_RNA) where: Base-Base interactions energy: -1837.474 where: short stacking energy: -738.938 Base-Backbone interact. energy: -2.839 local terms energy: -791.328739 where: bonds (distance) C4'-P energy: -140.713 bonds (distance) P-C4' energy: -162.998 flat angles C4'-P-C4' energy: -183.031 flat angles P-C4'-P energy: -97.835 tors. eta vs tors. theta energy: -206.751 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: 9 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2383.992623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.992623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.992623 (E_RNA) where: Base-Base interactions energy: -1613.329 where: short stacking energy: -689.112 Base-Backbone interact. energy: -4.762 local terms energy: -765.901582 where: bonds (distance) C4'-P energy: -133.848 bonds (distance) P-C4' energy: -161.299 flat angles C4'-P-C4' energy: -177.325 flat angles P-C4'-P energy: -110.239 tors. eta vs tors. theta energy: -183.191 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: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2349.106107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.106107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.106107 (E_RNA) where: Base-Base interactions energy: -1605.013 where: short stacking energy: -672.645 Base-Backbone interact. energy: 0.389 local terms energy: -744.481946 where: bonds (distance) C4'-P energy: -159.546 bonds (distance) P-C4' energy: -128.885 flat angles C4'-P-C4' energy: -149.309 flat angles P-C4'-P energy: -98.273 tors. eta vs tors. theta energy: -208.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1915.310548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.310548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.310548 (E_RNA) where: Base-Base interactions energy: -1239.155 where: short stacking energy: -545.853 Base-Backbone interact. energy: 3.413 local terms energy: -679.568008 where: bonds (distance) C4'-P energy: -124.246 bonds (distance) P-C4' energy: -147.845 flat angles C4'-P-C4' energy: -168.180 flat angles P-C4'-P energy: -106.245 tors. eta vs tors. theta energy: -133.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1637.898442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.898442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.898442 (E_RNA) where: Base-Base interactions energy: -1052.756 where: short stacking energy: -464.374 Base-Backbone interact. energy: -2.697 local terms energy: -582.445794 where: bonds (distance) C4'-P energy: -131.482 bonds (distance) P-C4' energy: -141.022 flat angles C4'-P-C4' energy: -125.792 flat angles P-C4'-P energy: -85.352 tors. eta vs tors. theta energy: -98.798 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: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1023.722993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.722993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.722993 (E_RNA) where: Base-Base interactions energy: -551.543 where: short stacking energy: -303.854 Base-Backbone interact. energy: 5.633 local terms energy: -477.813585 where: bonds (distance) C4'-P energy: -126.797 bonds (distance) P-C4' energy: -118.193 flat angles C4'-P-C4' energy: -112.762 flat angles P-C4'-P energy: -83.686 tors. eta vs tors. theta energy: -36.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -758.129913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.129913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.129913 (E_RNA) where: Base-Base interactions energy: -320.287 where: short stacking energy: -198.085 Base-Backbone interact. energy: 5.064 local terms energy: -442.907006 where: bonds (distance) C4'-P energy: -139.902 bonds (distance) P-C4' energy: -136.573 flat angles C4'-P-C4' energy: -120.318 flat angles P-C4'-P energy: -80.107 tors. eta vs tors. theta energy: 33.993 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: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3013.107085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.107085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.107085 (E_RNA) where: Base-Base interactions energy: -2101.433 where: short stacking energy: -870.306 Base-Backbone interact. energy: -1.892 local terms energy: -909.782447 where: bonds (distance) C4'-P energy: -165.732 bonds (distance) P-C4' energy: -162.488 flat angles C4'-P-C4' energy: -197.913 flat angles P-C4'-P energy: -127.224 tors. eta vs tors. theta energy: -256.424 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: 4 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2857.985721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.985721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.985721 (E_RNA) where: Base-Base interactions energy: -1988.364 where: short stacking energy: -818.466 Base-Backbone interact. energy: -4.238 local terms energy: -865.382974 where: bonds (distance) C4'-P energy: -144.405 bonds (distance) P-C4' energy: -174.644 flat angles C4'-P-C4' energy: -174.097 flat angles P-C4'-P energy: -118.868 tors. eta vs tors. theta energy: -253.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2753.327235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.327235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.327235 (E_RNA) where: Base-Base interactions energy: -1914.083 where: short stacking energy: -785.136 Base-Backbone interact. energy: -4.133 local terms energy: -835.111295 where: bonds (distance) C4'-P energy: -163.312 bonds (distance) P-C4' energy: -157.555 flat angles C4'-P-C4' energy: -172.976 flat angles P-C4'-P energy: -102.581 tors. eta vs tors. theta energy: -238.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2651.497605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.497605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.497605 (E_RNA) where: Base-Base interactions energy: -1857.586 where: short stacking energy: -792.169 Base-Backbone interact. energy: -2.703 local terms energy: -791.208717 where: bonds (distance) C4'-P energy: -133.154 bonds (distance) P-C4' energy: -141.538 flat angles C4'-P-C4' energy: -175.143 flat angles P-C4'-P energy: -112.639 tors. eta vs tors. theta energy: -228.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2410.907639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.907639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.907639 (E_RNA) where: Base-Base interactions energy: -1665.114 where: short stacking energy: -686.069 Base-Backbone interact. energy: -5.361 local terms energy: -740.433219 where: bonds (distance) C4'-P energy: -134.236 bonds (distance) P-C4' energy: -141.627 flat angles C4'-P-C4' energy: -170.664 flat angles P-C4'-P energy: -100.181 tors. eta vs tors. theta energy: -193.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2341.977338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.977338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.977338 (E_RNA) where: Base-Base interactions energy: -1608.138 where: short stacking energy: -654.283 Base-Backbone interact. energy: -4.326 local terms energy: -729.513129 where: bonds (distance) C4'-P energy: -125.845 bonds (distance) P-C4' energy: -152.418 flat angles C4'-P-C4' energy: -164.777 flat angles P-C4'-P energy: -91.810 tors. eta vs tors. theta energy: -194.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1908.479903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.479903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.479903 (E_RNA) where: Base-Base interactions energy: -1243.891 where: short stacking energy: -555.314 Base-Backbone interact. energy: -3.944 local terms energy: -660.644498 where: bonds (distance) C4'-P energy: -128.663 bonds (distance) P-C4' energy: -137.824 flat angles C4'-P-C4' energy: -155.782 flat angles P-C4'-P energy: -108.460 tors. eta vs tors. theta energy: -129.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1605.310883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.310883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.310883 (E_RNA) where: Base-Base interactions energy: -1044.088 where: short stacking energy: -463.232 Base-Backbone interact. energy: -4.747 local terms energy: -556.475910 where: bonds (distance) C4'-P energy: -130.686 bonds (distance) P-C4' energy: -110.226 flat angles C4'-P-C4' energy: -142.334 flat angles P-C4'-P energy: -89.482 tors. eta vs tors. theta energy: -83.747 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: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -986.176987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.176987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.176987 (E_RNA) where: Base-Base interactions energy: -490.197 where: short stacking energy: -257.106 Base-Backbone interact. energy: 2.655 local terms energy: -498.634302 where: bonds (distance) C4'-P energy: -139.934 bonds (distance) P-C4' energy: -154.468 flat angles C4'-P-C4' energy: -127.141 flat angles P-C4'-P energy: -84.673 tors. eta vs tors. theta energy: 7.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -758.535045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.535045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.535045 (E_RNA) where: Base-Base interactions energy: -380.555 where: short stacking energy: -219.479 Base-Backbone interact. energy: 1.605 local terms energy: -379.585055 where: bonds (distance) C4'-P energy: -110.141 bonds (distance) P-C4' energy: -153.536 flat angles C4'-P-C4' energy: -115.830 flat angles P-C4'-P energy: -31.856 tors. eta vs tors. theta energy: 31.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2971.477456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.477456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.477456 (E_RNA) where: Base-Base interactions energy: -2070.962 where: short stacking energy: -837.327 Base-Backbone interact. energy: 0.250 local terms energy: -900.765947 where: bonds (distance) C4'-P energy: -175.947 bonds (distance) P-C4' energy: -165.503 flat angles C4'-P-C4' energy: -181.360 flat angles P-C4'-P energy: -124.534 tors. eta vs tors. theta energy: -253.422 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: 4 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2835.190934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.190934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.190934 (E_RNA) where: Base-Base interactions energy: -1950.573 where: short stacking energy: -828.201 Base-Backbone interact. energy: 0.761 local terms energy: -885.378974 where: bonds (distance) C4'-P energy: -154.336 bonds (distance) P-C4' energy: -176.573 flat angles C4'-P-C4' energy: -178.022 flat angles P-C4'-P energy: -125.672 tors. eta vs tors. theta energy: -250.776 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: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2754.972470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.972470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.972470 (E_RNA) where: Base-Base interactions energy: -1917.890 where: short stacking energy: -791.115 Base-Backbone interact. energy: -3.253 local terms energy: -833.829760 where: bonds (distance) C4'-P energy: -146.176 bonds (distance) P-C4' energy: -158.121 flat angles C4'-P-C4' energy: -185.133 flat angles P-C4'-P energy: -110.391 tors. eta vs tors. theta energy: -234.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2619.971404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.971404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.971404 (E_RNA) where: Base-Base interactions energy: -1837.673 where: short stacking energy: -754.352 Base-Backbone interact. energy: -2.046 local terms energy: -780.251555 where: bonds (distance) C4'-P energy: -126.299 bonds (distance) P-C4' energy: -148.884 flat angles C4'-P-C4' energy: -180.311 flat angles P-C4'-P energy: -104.238 tors. eta vs tors. theta energy: -220.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2373.999870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.999870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.999870 (E_RNA) where: Base-Base interactions energy: -1618.757 where: short stacking energy: -708.506 Base-Backbone interact. energy: -0.414 local terms energy: -754.828734 where: bonds (distance) C4'-P energy: -129.601 bonds (distance) P-C4' energy: -165.968 flat angles C4'-P-C4' energy: -161.695 flat angles P-C4'-P energy: -100.038 tors. eta vs tors. theta energy: -197.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2322.887340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.887340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.887340 (E_RNA) where: Base-Base interactions energy: -1609.345 where: short stacking energy: -680.625 Base-Backbone interact. energy: 8.538 local terms energy: -722.080362 where: bonds (distance) C4'-P energy: -146.425 bonds (distance) P-C4' energy: -125.447 flat angles C4'-P-C4' energy: -156.174 flat angles P-C4'-P energy: -96.427 tors. eta vs tors. theta energy: -197.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1887.596780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.596780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.596780 (E_RNA) where: Base-Base interactions energy: -1226.872 where: short stacking energy: -542.534 Base-Backbone interact. energy: -3.406 local terms energy: -657.318841 where: bonds (distance) C4'-P energy: -129.651 bonds (distance) P-C4' energy: -129.933 flat angles C4'-P-C4' energy: -160.301 flat angles P-C4'-P energy: -101.727 tors. eta vs tors. theta energy: -135.708 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: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1617.575076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.575076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.575076 (E_RNA) where: Base-Base interactions energy: -1073.119 where: short stacking energy: -459.287 Base-Backbone interact. energy: 2.455 local terms energy: -546.911469 where: bonds (distance) C4'-P energy: -115.527 bonds (distance) P-C4' energy: -148.472 flat angles C4'-P-C4' energy: -144.969 flat angles P-C4'-P energy: -64.415 tors. eta vs tors. theta energy: -73.529 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: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -988.536945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.536945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.536945 (E_RNA) where: Base-Base interactions energy: -503.307 where: short stacking energy: -294.518 Base-Backbone interact. energy: -2.018 local terms energy: -483.212140 where: bonds (distance) C4'-P energy: -111.367 bonds (distance) P-C4' energy: -142.991 flat angles C4'-P-C4' energy: -113.449 flat angles P-C4'-P energy: -96.951 tors. eta vs tors. theta energy: -18.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -809.458712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.458712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.458712 (E_RNA) where: Base-Base interactions energy: -369.687 where: short stacking energy: -207.209 Base-Backbone interact. energy: 2.268 local terms energy: -442.039265 where: bonds (distance) C4'-P energy: -133.960 bonds (distance) P-C4' energy: -148.363 flat angles C4'-P-C4' energy: -107.515 flat angles P-C4'-P energy: -58.432 tors. eta vs tors. theta energy: 6.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2989.969937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.969937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.969937 (E_RNA) where: Base-Base interactions energy: -2081.385 where: short stacking energy: -856.423 Base-Backbone interact. energy: -0.298 local terms energy: -908.286948 where: bonds (distance) C4'-P energy: -162.174 bonds (distance) P-C4' energy: -175.846 flat angles C4'-P-C4' energy: -174.388 flat angles P-C4'-P energy: -137.568 tors. eta vs tors. theta energy: -258.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2871.552250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.552250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.552250 (E_RNA) where: Base-Base interactions energy: -1987.732 where: short stacking energy: -844.972 Base-Backbone interact. energy: 0.151 local terms energy: -883.971258 where: bonds (distance) C4'-P energy: -151.908 bonds (distance) P-C4' energy: -168.791 flat angles C4'-P-C4' energy: -188.071 flat angles P-C4'-P energy: -117.225 tors. eta vs tors. theta energy: -257.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2709.377813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.377813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.377813 (E_RNA) where: Base-Base interactions energy: -1862.882 where: short stacking energy: -750.426 Base-Backbone interact. energy: -2.819 local terms energy: -843.676537 where: bonds (distance) C4'-P energy: -149.266 bonds (distance) P-C4' energy: -155.425 flat angles C4'-P-C4' energy: -192.380 flat angles P-C4'-P energy: -125.513 tors. eta vs tors. theta energy: -221.093 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: 4, replica: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2633.056026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.056026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.056026 (E_RNA) where: Base-Base interactions energy: -1825.549 where: short stacking energy: -759.328 Base-Backbone interact. energy: -2.358 local terms energy: -805.148465 where: bonds (distance) C4'-P energy: -147.626 bonds (distance) P-C4' energy: -162.543 flat angles C4'-P-C4' energy: -165.244 flat angles P-C4'-P energy: -114.791 tors. eta vs tors. theta energy: -214.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2426.033356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.033356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.033356 (E_RNA) where: Base-Base interactions energy: -1660.330 where: short stacking energy: -714.786 Base-Backbone interact. energy: -4.057 local terms energy: -761.646953 where: bonds (distance) C4'-P energy: -128.274 bonds (distance) P-C4' energy: -150.964 flat angles C4'-P-C4' energy: -174.010 flat angles P-C4'-P energy: -107.266 tors. eta vs tors. theta energy: -201.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2318.677417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.677417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.677417 (E_RNA) where: Base-Base interactions energy: -1590.348 where: short stacking energy: -645.959 Base-Backbone interact. energy: -3.244 local terms energy: -725.086103 where: bonds (distance) C4'-P energy: -146.934 bonds (distance) P-C4' energy: -145.864 flat angles C4'-P-C4' energy: -159.713 flat angles P-C4'-P energy: -99.035 tors. eta vs tors. theta energy: -173.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1882.586416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.586416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.586416 (E_RNA) where: Base-Base interactions energy: -1252.551 where: short stacking energy: -561.822 Base-Backbone interact. energy: -0.486 local terms energy: -629.548714 where: bonds (distance) C4'-P energy: -139.813 bonds (distance) P-C4' energy: -139.071 flat angles C4'-P-C4' energy: -132.920 flat angles P-C4'-P energy: -80.534 tors. eta vs tors. theta energy: -137.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1607.272319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.272319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.272319 (E_RNA) where: Base-Base interactions energy: -1037.094 where: short stacking energy: -445.723 Base-Backbone interact. energy: 3.279 local terms energy: -573.457192 where: bonds (distance) C4'-P energy: -124.429 bonds (distance) P-C4' energy: -148.687 flat angles C4'-P-C4' energy: -123.820 flat angles P-C4'-P energy: -95.434 tors. eta vs tors. theta energy: -81.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1041.269745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.269745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.269745 (E_RNA) where: Base-Base interactions energy: -576.873 where: short stacking energy: -292.836 Base-Backbone interact. energy: -3.496 local terms energy: -460.900557 where: bonds (distance) C4'-P energy: -134.420 bonds (distance) P-C4' energy: -134.267 flat angles C4'-P-C4' energy: -117.845 flat angles P-C4'-P energy: -55.198 tors. eta vs tors. theta energy: -19.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -802.613782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.613782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.613782 (E_RNA) where: Base-Base interactions energy: -369.847 where: short stacking energy: -226.478 Base-Backbone interact. energy: 0.877 local terms energy: -433.642830 where: bonds (distance) C4'-P energy: -127.793 bonds (distance) P-C4' energy: -155.716 flat angles C4'-P-C4' energy: -123.549 flat angles P-C4'-P energy: -55.484 tors. eta vs tors. theta energy: 28.898 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: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3005.369156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.369156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.369156 (E_RNA) where: Base-Base interactions energy: -2123.547 where: short stacking energy: -849.986 Base-Backbone interact. energy: 0.028 local terms energy: -881.849838 where: bonds (distance) C4'-P energy: -154.184 bonds (distance) P-C4' energy: -161.901 flat angles C4'-P-C4' energy: -185.397 flat angles P-C4'-P energy: -133.695 tors. eta vs tors. theta energy: -246.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2869.724834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.724834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.724834 (E_RNA) where: Base-Base interactions energy: -1993.151 where: short stacking energy: -844.789 Base-Backbone interact. energy: -0.119 local terms energy: -876.454670 where: bonds (distance) C4'-P energy: -154.883 bonds (distance) P-C4' energy: -143.392 flat angles C4'-P-C4' energy: -182.485 flat angles P-C4'-P energy: -136.027 tors. eta vs tors. theta energy: -259.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2731.967551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.967551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.967551 (E_RNA) where: Base-Base interactions energy: -1913.434 where: short stacking energy: -782.094 Base-Backbone interact. energy: -3.849 local terms energy: -814.684904 where: bonds (distance) C4'-P energy: -150.071 bonds (distance) P-C4' energy: -159.027 flat angles C4'-P-C4' energy: -171.490 flat angles P-C4'-P energy: -112.057 tors. eta vs tors. theta energy: -222.041 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: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2672.816159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.816159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.816159 (E_RNA) where: Base-Base interactions energy: -1877.254 where: short stacking energy: -787.682 Base-Backbone interact. energy: 0.624 local terms energy: -796.186399 where: bonds (distance) C4'-P energy: -139.845 bonds (distance) P-C4' energy: -143.769 flat angles C4'-P-C4' energy: -169.604 flat angles P-C4'-P energy: -113.563 tors. eta vs tors. theta energy: -229.406 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: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2450.993235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.993235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.993235 (E_RNA) where: Base-Base interactions energy: -1649.640 where: short stacking energy: -727.814 Base-Backbone interact. energy: 0.514 local terms energy: -801.867465 where: bonds (distance) C4'-P energy: -136.897 bonds (distance) P-C4' energy: -172.299 flat angles C4'-P-C4' energy: -177.510 flat angles P-C4'-P energy: -108.105 tors. eta vs tors. theta energy: -207.055 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: 8 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2215.070057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.070057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.070057 (E_RNA) where: Base-Base interactions energy: -1538.570 where: short stacking energy: -638.103 Base-Backbone interact. energy: -0.453 local terms energy: -676.046664 where: bonds (distance) C4'-P energy: -131.972 bonds (distance) P-C4' energy: -144.101 flat angles C4'-P-C4' energy: -144.945 flat angles P-C4'-P energy: -81.406 tors. eta vs tors. theta energy: -173.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1930.393351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.393351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.393351 (E_RNA) where: Base-Base interactions energy: -1246.460 where: short stacking energy: -540.152 Base-Backbone interact. energy: 0.608 local terms energy: -684.541413 where: bonds (distance) C4'-P energy: -156.333 bonds (distance) P-C4' energy: -149.348 flat angles C4'-P-C4' energy: -158.940 flat angles P-C4'-P energy: -94.113 tors. eta vs tors. theta energy: -125.807 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: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1543.822742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.822742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.822742 (E_RNA) where: Base-Base interactions energy: -988.394 where: short stacking energy: -404.696 Base-Backbone interact. energy: 0.806 local terms energy: -556.234580 where: bonds (distance) C4'-P energy: -142.584 bonds (distance) P-C4' energy: -116.405 flat angles C4'-P-C4' energy: -127.570 flat angles P-C4'-P energy: -89.248 tors. eta vs tors. theta energy: -80.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1019.438549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.438549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.438549 (E_RNA) where: Base-Base interactions energy: -520.948 where: short stacking energy: -289.250 Base-Backbone interact. energy: -1.772 local terms energy: -496.718595 where: bonds (distance) C4'-P energy: -130.998 bonds (distance) P-C4' energy: -145.257 flat angles C4'-P-C4' energy: -121.270 flat angles P-C4'-P energy: -91.553 tors. eta vs tors. theta energy: -7.641 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: 3 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -763.070425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.070425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.070425 (E_RNA) where: Base-Base interactions energy: -355.255 where: short stacking energy: -219.674 Base-Backbone interact. energy: 0.052 local terms energy: -407.867989 where: bonds (distance) C4'-P energy: -125.912 bonds (distance) P-C4' energy: -119.475 flat angles C4'-P-C4' energy: -124.414 flat angles P-C4'-P energy: -56.903 tors. eta vs tors. theta energy: 18.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2961.111462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.111462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.111462 (E_RNA) where: Base-Base interactions energy: -2054.184 where: short stacking energy: -839.973 Base-Backbone interact. energy: -1.265 local terms energy: -905.663369 where: bonds (distance) C4'-P energy: -170.926 bonds (distance) P-C4' energy: -167.285 flat angles C4'-P-C4' energy: -194.055 flat angles P-C4'-P energy: -122.400 tors. eta vs tors. theta energy: -250.998 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: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2876.002220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.002220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.002220 (E_RNA) where: Base-Base interactions energy: -1993.473 where: short stacking energy: -836.292 Base-Backbone interact. energy: -5.847 local terms energy: -876.681914 where: bonds (distance) C4'-P energy: -168.526 bonds (distance) P-C4' energy: -154.134 flat angles C4'-P-C4' energy: -162.863 flat angles P-C4'-P energy: -134.423 tors. eta vs tors. theta energy: -256.736 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: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2744.890954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.890954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.890954 (E_RNA) where: Base-Base interactions energy: -1896.183 where: short stacking energy: -786.716 Base-Backbone interact. energy: -1.920 local terms energy: -846.787195 where: bonds (distance) C4'-P energy: -148.991 bonds (distance) P-C4' energy: -156.797 flat angles C4'-P-C4' energy: -188.411 flat angles P-C4'-P energy: -117.755 tors. eta vs tors. theta energy: -234.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2663.740651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.740651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.740651 (E_RNA) where: Base-Base interactions energy: -1845.490 where: short stacking energy: -761.804 Base-Backbone interact. energy: -1.084 local terms energy: -817.166932 where: bonds (distance) C4'-P energy: -168.805 bonds (distance) P-C4' energy: -138.809 flat angles C4'-P-C4' energy: -175.512 flat angles P-C4'-P energy: -111.336 tors. eta vs tors. theta energy: -222.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2423.523721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.523721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.523721 (E_RNA) where: Base-Base interactions energy: -1675.753 where: short stacking energy: -736.775 Base-Backbone interact. energy: -0.409 local terms energy: -747.361648 where: bonds (distance) C4'-P energy: -131.499 bonds (distance) P-C4' energy: -142.371 flat angles C4'-P-C4' energy: -163.416 flat angles P-C4'-P energy: -99.440 tors. eta vs tors. theta energy: -210.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2258.029380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.029380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.029380 (E_RNA) where: Base-Base interactions energy: -1532.922 where: short stacking energy: -644.066 Base-Backbone interact. energy: 0.620 local terms energy: -725.726984 where: bonds (distance) C4'-P energy: -127.121 bonds (distance) P-C4' energy: -148.410 flat angles C4'-P-C4' energy: -169.364 flat angles P-C4'-P energy: -109.287 tors. eta vs tors. theta energy: -171.545 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: 7 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1899.628711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.628711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.628711 (E_RNA) where: Base-Base interactions energy: -1251.273 where: short stacking energy: -545.191 Base-Backbone interact. energy: 6.710 local terms energy: -655.065817 where: bonds (distance) C4'-P energy: -125.528 bonds (distance) P-C4' energy: -161.588 flat angles C4'-P-C4' energy: -144.095 flat angles P-C4'-P energy: -98.122 tors. eta vs tors. theta energy: -125.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1616.817832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.817832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.817832 (E_RNA) where: Base-Base interactions energy: -1046.310 where: short stacking energy: -453.191 Base-Backbone interact. energy: 0.364 local terms energy: -570.872316 where: bonds (distance) C4'-P energy: -118.750 bonds (distance) P-C4' energy: -131.612 flat angles C4'-P-C4' energy: -148.622 flat angles P-C4'-P energy: -101.296 tors. eta vs tors. theta energy: -70.593 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: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1035.771305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.771305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.771305 (E_RNA) where: Base-Base interactions energy: -561.368 where: short stacking energy: -287.054 Base-Backbone interact. energy: -1.516 local terms energy: -472.887826 where: bonds (distance) C4'-P energy: -127.377 bonds (distance) P-C4' energy: -140.793 flat angles C4'-P-C4' energy: -113.661 flat angles P-C4'-P energy: -77.341 tors. eta vs tors. theta energy: -13.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -857.616970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.616970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.616970 (E_RNA) where: Base-Base interactions energy: -384.021 where: short stacking energy: -230.274 Base-Backbone interact. energy: 1.932 local terms energy: -475.527878 where: bonds (distance) C4'-P energy: -146.830 bonds (distance) P-C4' energy: -145.884 flat angles C4'-P-C4' energy: -121.544 flat angles P-C4'-P energy: -74.450 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: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3020.413997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.413997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.413997 (E_RNA) where: Base-Base interactions energy: -2100.906 where: short stacking energy: -834.655 Base-Backbone interact. energy: 1.138 local terms energy: -920.646135 where: bonds (distance) C4'-P energy: -168.080 bonds (distance) P-C4' energy: -174.741 flat angles C4'-P-C4' energy: -184.726 flat angles P-C4'-P energy: -139.894 tors. eta vs tors. theta energy: -253.206 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: 4 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2866.930103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.930103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.930103 (E_RNA) where: Base-Base interactions energy: -1997.737 where: short stacking energy: -839.277 Base-Backbone interact. energy: -2.435 local terms energy: -866.758538 where: bonds (distance) C4'-P energy: -148.946 bonds (distance) P-C4' energy: -155.305 flat angles C4'-P-C4' energy: -192.476 flat angles P-C4'-P energy: -114.865 tors. eta vs tors. theta energy: -255.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2739.609842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.609842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.609842 (E_RNA) where: Base-Base interactions energy: -1898.396 where: short stacking energy: -780.338 Base-Backbone interact. energy: -3.001 local terms energy: -838.212964 where: bonds (distance) C4'-P energy: -150.098 bonds (distance) P-C4' energy: -158.691 flat angles C4'-P-C4' energy: -179.651 flat angles P-C4'-P energy: -122.330 tors. eta vs tors. theta energy: -227.443 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: 6 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2643.795581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.795581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.795581 (E_RNA) where: Base-Base interactions energy: -1844.581 where: short stacking energy: -756.528 Base-Backbone interact. energy: 0.787 local terms energy: -800.001172 where: bonds (distance) C4'-P energy: -150.991 bonds (distance) P-C4' energy: -138.328 flat angles C4'-P-C4' energy: -160.032 flat angles P-C4'-P energy: -123.947 tors. eta vs tors. theta energy: -226.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2442.082283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.082283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.082283 (E_RNA) where: Base-Base interactions energy: -1642.345 where: short stacking energy: -726.224 Base-Backbone interact. energy: -2.047 local terms energy: -797.689941 where: bonds (distance) C4'-P energy: -142.255 bonds (distance) P-C4' energy: -155.444 flat angles C4'-P-C4' energy: -175.205 flat angles P-C4'-P energy: -110.534 tors. eta vs tors. theta energy: -214.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2201.983943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.983943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.983943 (E_RNA) where: Base-Base interactions energy: -1512.692 where: short stacking energy: -625.661 Base-Backbone interact. energy: -1.217 local terms energy: -688.074268 where: bonds (distance) C4'-P energy: -137.700 bonds (distance) P-C4' energy: -127.821 flat angles C4'-P-C4' energy: -158.162 flat angles P-C4'-P energy: -97.797 tors. eta vs tors. theta energy: -166.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1944.905005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.905005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.905005 (E_RNA) where: Base-Base interactions energy: -1261.241 where: short stacking energy: -538.192 Base-Backbone interact. energy: 2.463 local terms energy: -686.126772 where: bonds (distance) C4'-P energy: -147.319 bonds (distance) P-C4' energy: -137.469 flat angles C4'-P-C4' energy: -153.724 flat angles P-C4'-P energy: -100.409 tors. eta vs tors. theta energy: -147.206 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: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1506.846248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.846248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.846248 (E_RNA) where: Base-Base interactions energy: -973.171 where: short stacking energy: -419.594 Base-Backbone interact. energy: 3.406 local terms energy: -537.081085 where: bonds (distance) C4'-P energy: -149.245 bonds (distance) P-C4' energy: -119.765 flat angles C4'-P-C4' energy: -140.234 flat angles P-C4'-P energy: -75.169 tors. eta vs tors. theta energy: -52.669 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: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -942.750570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.750570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.750570 (E_RNA) where: Base-Base interactions energy: -500.916 where: short stacking energy: -254.509 Base-Backbone interact. energy: 2.872 local terms energy: -444.706935 where: bonds (distance) C4'-P energy: -116.506 bonds (distance) P-C4' energy: -153.765 flat angles C4'-P-C4' energy: -108.462 flat angles P-C4'-P energy: -71.128 tors. eta vs tors. theta energy: 5.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -809.487081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.487081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.487081 (E_RNA) where: Base-Base interactions energy: -397.116 where: short stacking energy: -204.184 Base-Backbone interact. energy: 0.127 local terms energy: -412.497565 where: bonds (distance) C4'-P energy: -131.473 bonds (distance) P-C4' energy: -117.540 flat angles C4'-P-C4' energy: -107.741 flat angles P-C4'-P energy: -70.053 tors. eta vs tors. theta energy: 14.309 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: 4 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2917.301978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.301978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.301978 (E_RNA) where: Base-Base interactions energy: -2022.036 where: short stacking energy: -852.812 Base-Backbone interact. energy: -3.799 local terms energy: -891.466645 where: bonds (distance) C4'-P energy: -156.960 bonds (distance) P-C4' energy: -175.466 flat angles C4'-P-C4' energy: -180.574 flat angles P-C4'-P energy: -114.194 tors. eta vs tors. theta energy: -264.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2932.451439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.451439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.451439 (E_RNA) where: Base-Base interactions energy: -2076.191 where: short stacking energy: -842.852 Base-Backbone interact. energy: -0.815 local terms energy: -855.445650 where: bonds (distance) C4'-P energy: -158.712 bonds (distance) P-C4' energy: -146.509 flat angles C4'-P-C4' energy: -188.100 flat angles P-C4'-P energy: -116.785 tors. eta vs tors. theta energy: -245.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2720.408854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.408854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.408854 (E_RNA) where: Base-Base interactions energy: -1882.133 where: short stacking energy: -774.850 Base-Backbone interact. energy: -2.566 local terms energy: -835.709925 where: bonds (distance) C4'-P energy: -172.995 bonds (distance) P-C4' energy: -144.582 flat angles C4'-P-C4' energy: -185.978 flat angles P-C4'-P energy: -112.191 tors. eta vs tors. theta energy: -219.963 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: 4, replica: 6 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2649.038882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.038882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.038882 (E_RNA) where: Base-Base interactions energy: -1818.242 where: short stacking energy: -715.689 Base-Backbone interact. energy: -1.736 local terms energy: -829.060693 where: bonds (distance) C4'-P energy: -152.787 bonds (distance) P-C4' energy: -163.846 flat angles C4'-P-C4' energy: -179.698 flat angles P-C4'-P energy: -119.448 tors. eta vs tors. theta energy: -213.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2343.646956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.646956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.646956 (E_RNA) where: Base-Base interactions energy: -1568.566 where: short stacking energy: -678.792 Base-Backbone interact. energy: 5.844 local terms energy: -780.925365 where: bonds (distance) C4'-P energy: -140.601 bonds (distance) P-C4' energy: -167.572 flat angles C4'-P-C4' energy: -167.433 flat angles P-C4'-P energy: -111.822 tors. eta vs tors. theta energy: -193.497 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: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2249.894804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.894804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.894804 (E_RNA) where: Base-Base interactions energy: -1546.590 where: short stacking energy: -658.446 Base-Backbone interact. energy: 1.435 local terms energy: -704.739831 where: bonds (distance) C4'-P energy: -142.160 bonds (distance) P-C4' energy: -143.448 flat angles C4'-P-C4' energy: -139.123 flat angles P-C4'-P energy: -102.860 tors. eta vs tors. theta energy: -177.149 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: 7 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1957.416875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.416875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.416875 (E_RNA) where: Base-Base interactions energy: -1268.402 where: short stacking energy: -559.974 Base-Backbone interact. energy: -2.253 local terms energy: -686.761809 where: bonds (distance) C4'-P energy: -137.761 bonds (distance) P-C4' energy: -157.865 flat angles C4'-P-C4' energy: -160.446 flat angles P-C4'-P energy: -86.217 tors. eta vs tors. theta energy: -144.472 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: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1569.756574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.756574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.756574 (E_RNA) where: Base-Base interactions energy: -999.738 where: short stacking energy: -419.071 Base-Backbone interact. energy: 1.883 local terms energy: -571.901199 where: bonds (distance) C4'-P energy: -136.587 bonds (distance) P-C4' energy: -136.147 flat angles C4'-P-C4' energy: -136.570 flat angles P-C4'-P energy: -87.260 tors. eta vs tors. theta energy: -75.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1008.371255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.371255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.371255 (E_RNA) where: Base-Base interactions energy: -554.442 where: short stacking energy: -305.843 Base-Backbone interact. energy: 2.345 local terms energy: -456.273781 where: bonds (distance) C4'-P energy: -107.291 bonds (distance) P-C4' energy: -119.633 flat angles C4'-P-C4' energy: -130.986 flat angles P-C4'-P energy: -77.171 tors. eta vs tors. theta energy: -21.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -851.777238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.777238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.777238 (E_RNA) where: Base-Base interactions energy: -413.901 where: short stacking energy: -214.098 Base-Backbone interact. energy: -1.648 local terms energy: -436.228476 where: bonds (distance) C4'-P energy: -145.621 bonds (distance) P-C4' energy: -127.478 flat angles C4'-P-C4' energy: -113.431 flat angles P-C4'-P energy: -73.923 tors. eta vs tors. theta energy: 24.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2935.509025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.509025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.509025 (E_RNA) where: Base-Base interactions energy: -2030.022 where: short stacking energy: -838.951 Base-Backbone interact. energy: -5.249 local terms energy: -900.237901 where: bonds (distance) C4'-P energy: -167.055 bonds (distance) P-C4' energy: -158.697 flat angles C4'-P-C4' energy: -184.700 flat angles P-C4'-P energy: -129.695 tors. eta vs tors. theta energy: -260.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2911.798871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.798871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.798871 (E_RNA) where: Base-Base interactions energy: -2046.557 where: short stacking energy: -823.011 Base-Backbone interact. energy: -0.732 local terms energy: -864.509881 where: bonds (distance) C4'-P energy: -155.111 bonds (distance) P-C4' energy: -149.370 flat angles C4'-P-C4' energy: -176.397 flat angles P-C4'-P energy: -131.738 tors. eta vs tors. theta energy: -251.893 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: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2715.988984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.988984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.988984 (E_RNA) where: Base-Base interactions energy: -1897.882 where: short stacking energy: -800.384 Base-Backbone interact. energy: -2.028 local terms energy: -816.079599 where: bonds (distance) C4'-P energy: -147.947 bonds (distance) P-C4' energy: -136.569 flat angles C4'-P-C4' energy: -164.007 flat angles P-C4'-P energy: -135.740 tors. eta vs tors. theta energy: -231.817 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: 463 Temperature: 1.050000 Total energy: -2627.106808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.106808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.106808 (E_RNA) where: Base-Base interactions energy: -1821.078 where: short stacking energy: -750.847 Base-Backbone interact. energy: -3.217 local terms energy: -802.811556 where: bonds (distance) C4'-P energy: -133.933 bonds (distance) P-C4' energy: -154.445 flat angles C4'-P-C4' energy: -194.258 flat angles P-C4'-P energy: -98.874 tors. eta vs tors. theta energy: -221.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2321.863545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.863545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.863545 (E_RNA) where: Base-Base interactions energy: -1552.376 where: short stacking energy: -657.199 Base-Backbone interact. energy: -2.092 local terms energy: -767.396253 where: bonds (distance) C4'-P energy: -158.126 bonds (distance) P-C4' energy: -138.407 flat angles C4'-P-C4' energy: -167.711 flat angles P-C4'-P energy: -125.382 tors. eta vs tors. theta energy: -177.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2194.705417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.705417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.705417 (E_RNA) where: Base-Base interactions energy: -1461.893 where: short stacking energy: -634.229 Base-Backbone interact. energy: -5.063 local terms energy: -727.749741 where: bonds (distance) C4'-P energy: -127.920 bonds (distance) P-C4' energy: -143.631 flat angles C4'-P-C4' energy: -157.027 flat angles P-C4'-P energy: -113.238 tors. eta vs tors. theta energy: -185.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1946.222464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.222464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.222464 (E_RNA) where: Base-Base interactions energy: -1298.695 where: short stacking energy: -571.747 Base-Backbone interact. energy: 1.929 local terms energy: -649.455749 where: bonds (distance) C4'-P energy: -140.466 bonds (distance) P-C4' energy: -151.276 flat angles C4'-P-C4' energy: -151.737 flat angles P-C4'-P energy: -80.650 tors. eta vs tors. theta energy: -125.327 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: 1 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1641.639262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.639262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.639262 (E_RNA) where: Base-Base interactions energy: -1032.917 where: short stacking energy: -456.655 Base-Backbone interact. energy: -4.989 local terms energy: -603.733962 where: bonds (distance) C4'-P energy: -136.852 bonds (distance) P-C4' energy: -148.500 flat angles C4'-P-C4' energy: -143.310 flat angles P-C4'-P energy: -81.769 tors. eta vs tors. theta energy: -93.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1019.305286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.305286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.305286 (E_RNA) where: Base-Base interactions energy: -544.494 where: short stacking energy: -282.858 Base-Backbone interact. energy: 2.083 local terms energy: -476.894714 where: bonds (distance) C4'-P energy: -118.933 bonds (distance) P-C4' energy: -135.842 flat angles C4'-P-C4' energy: -119.194 flat angles P-C4'-P energy: -84.035 tors. eta vs tors. theta energy: -18.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -793.163125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.163125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.163125 (E_RNA) where: Base-Base interactions energy: -397.887 where: short stacking energy: -236.753 Base-Backbone interact. energy: 4.030 local terms energy: -399.306445 where: bonds (distance) C4'-P energy: -112.173 bonds (distance) P-C4' energy: -141.676 flat angles C4'-P-C4' energy: -108.670 flat angles P-C4'-P energy: -51.424 tors. eta vs tors. theta energy: 14.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2942.572070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.572070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.572070 (E_RNA) where: Base-Base interactions energy: -2036.166 where: short stacking energy: -846.288 Base-Backbone interact. energy: -5.567 local terms energy: -900.839850 where: bonds (distance) C4'-P energy: -161.299 bonds (distance) P-C4' energy: -173.612 flat angles C4'-P-C4' energy: -188.049 flat angles P-C4'-P energy: -120.466 tors. eta vs tors. theta energy: -257.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2947.992041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.992041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.992041 (E_RNA) where: Base-Base interactions energy: -2079.407 where: short stacking energy: -837.480 Base-Backbone interact. energy: -3.641 local terms energy: -864.944747 where: bonds (distance) C4'-P energy: -157.000 bonds (distance) P-C4' energy: -152.457 flat angles C4'-P-C4' energy: -187.229 flat angles P-C4'-P energy: -131.478 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: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2721.058136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.058136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.058136 (E_RNA) where: Base-Base interactions energy: -1881.575 where: short stacking energy: -788.548 Base-Backbone interact. energy: -3.214 local terms energy: -836.269140 where: bonds (distance) C4'-P energy: -138.746 bonds (distance) P-C4' energy: -167.227 flat angles C4'-P-C4' energy: -182.895 flat angles P-C4'-P energy: -113.343 tors. eta vs tors. theta energy: -234.058 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: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2652.385920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.385920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.385920 (E_RNA) where: Base-Base interactions energy: -1842.172 where: short stacking energy: -751.444 Base-Backbone interact. energy: -2.148 local terms energy: -808.065302 where: bonds (distance) C4'-P energy: -142.922 bonds (distance) P-C4' energy: -158.042 flat angles C4'-P-C4' energy: -186.689 flat angles P-C4'-P energy: -93.789 tors. eta vs tors. theta energy: -226.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2385.264629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.264629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.264629 (E_RNA) where: Base-Base interactions energy: -1622.675 where: short stacking energy: -694.821 Base-Backbone interact. energy: 1.943 local terms energy: -764.533177 where: bonds (distance) C4'-P energy: -136.571 bonds (distance) P-C4' energy: -149.170 flat angles C4'-P-C4' energy: -157.570 flat angles P-C4'-P energy: -122.569 tors. eta vs tors. theta energy: -198.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2200.397308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.397308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.397308 (E_RNA) where: Base-Base interactions energy: -1509.041 where: short stacking energy: -630.827 Base-Backbone interact. energy: -1.908 local terms energy: -689.448844 where: bonds (distance) C4'-P energy: -137.192 bonds (distance) P-C4' energy: -149.412 flat angles C4'-P-C4' energy: -146.264 flat angles P-C4'-P energy: -75.157 tors. eta vs tors. theta energy: -181.423 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: 7 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1991.905873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.905873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.905873 (E_RNA) where: Base-Base interactions energy: -1316.281 where: short stacking energy: -559.171 Base-Backbone interact. energy: -1.214 local terms energy: -674.410682 where: bonds (distance) C4'-P energy: -143.340 bonds (distance) P-C4' energy: -142.090 flat angles C4'-P-C4' energy: -145.940 flat angles P-C4'-P energy: -94.301 tors. eta vs tors. theta energy: -148.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1548.201016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.201016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.201016 (E_RNA) where: Base-Base interactions energy: -972.514 where: short stacking energy: -453.039 Base-Backbone interact. energy: -2.317 local terms energy: -573.370207 where: bonds (distance) C4'-P energy: -136.458 bonds (distance) P-C4' energy: -123.012 flat angles C4'-P-C4' energy: -120.344 flat angles P-C4'-P energy: -106.791 tors. eta vs tors. theta energy: -86.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -979.789848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.789848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.789848 (E_RNA) where: Base-Base interactions energy: -520.809 where: short stacking energy: -289.041 Base-Backbone interact. energy: 1.373 local terms energy: -460.353296 where: bonds (distance) C4'-P energy: -123.136 bonds (distance) P-C4' energy: -134.516 flat angles C4'-P-C4' energy: -97.938 flat angles P-C4'-P energy: -78.946 tors. eta vs tors. theta energy: -25.817 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: 10, replica: 3 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -816.735162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.735162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.735162 (E_RNA) where: Base-Base interactions energy: -385.101 where: short stacking energy: -225.570 Base-Backbone interact. energy: 0.459 local terms energy: -432.093037 where: bonds (distance) C4'-P energy: -106.841 bonds (distance) P-C4' energy: -147.612 flat angles C4'-P-C4' energy: -114.388 flat angles P-C4'-P energy: -66.103 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: 1, replica: 4 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2946.785755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.785755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.785755 (E_RNA) where: Base-Base interactions energy: -2017.125 where: short stacking energy: -853.602 Base-Backbone interact. energy: -4.360 local terms energy: -925.300815 where: bonds (distance) C4'-P energy: -156.441 bonds (distance) P-C4' energy: -172.745 flat angles C4'-P-C4' energy: -197.281 flat angles P-C4'-P energy: -139.144 tors. eta vs tors. theta energy: -259.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2914.322050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.322050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.322050 (E_RNA) where: Base-Base interactions energy: -2058.843 where: short stacking energy: -834.136 Base-Backbone interact. energy: -3.867 local terms energy: -851.612742 where: bonds (distance) C4'-P energy: -147.994 bonds (distance) P-C4' energy: -163.263 flat angles C4'-P-C4' energy: -183.122 flat angles P-C4'-P energy: -112.384 tors. eta vs tors. theta energy: -244.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2761.294081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.294081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.294081 (E_RNA) where: Base-Base interactions energy: -1952.885 where: short stacking energy: -783.541 Base-Backbone interact. energy: -1.076 local terms energy: -807.333302 where: bonds (distance) C4'-P energy: -160.783 bonds (distance) P-C4' energy: -139.726 flat angles C4'-P-C4' energy: -169.620 flat angles P-C4'-P energy: -123.810 tors. eta vs tors. theta energy: -213.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2602.921733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.921733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.921733 (E_RNA) where: Base-Base interactions energy: -1821.679 where: short stacking energy: -736.040 Base-Backbone interact. energy: -2.217 local terms energy: -779.025583 where: bonds (distance) C4'-P energy: -139.938 bonds (distance) P-C4' energy: -147.921 flat angles C4'-P-C4' energy: -174.314 flat angles P-C4'-P energy: -102.887 tors. eta vs tors. theta energy: -213.965 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: 9 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2362.021200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.021200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.021200 (E_RNA) where: Base-Base interactions energy: -1601.003 where: short stacking energy: -700.871 Base-Backbone interact. energy: -2.108 local terms energy: -758.910437 where: bonds (distance) C4'-P energy: -123.478 bonds (distance) P-C4' energy: -146.297 flat angles C4'-P-C4' energy: -174.272 flat angles P-C4'-P energy: -104.457 tors. eta vs tors. theta energy: -210.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2198.896308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.896308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.896308 (E_RNA) where: Base-Base interactions energy: -1510.265 where: short stacking energy: -641.259 Base-Backbone interact. energy: 3.021 local terms energy: -691.652933 where: bonds (distance) C4'-P energy: -138.492 bonds (distance) P-C4' energy: -150.852 flat angles C4'-P-C4' energy: -144.154 flat angles P-C4'-P energy: -87.754 tors. eta vs tors. theta energy: -170.400 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: 7, replica: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1928.162052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.162052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.162052 (E_RNA) where: Base-Base interactions energy: -1270.230 where: short stacking energy: -578.066 Base-Backbone interact. energy: 5.037 local terms energy: -662.968500 where: bonds (distance) C4'-P energy: -140.857 bonds (distance) P-C4' energy: -139.400 flat angles C4'-P-C4' energy: -154.453 flat angles P-C4'-P energy: -86.360 tors. eta vs tors. theta energy: -141.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1563.303756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.303756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.303756 (E_RNA) where: Base-Base interactions energy: -1006.220 where: short stacking energy: -427.559 Base-Backbone interact. energy: -4.015 local terms energy: -553.069383 where: bonds (distance) C4'-P energy: -115.973 bonds (distance) P-C4' energy: -134.501 flat angles C4'-P-C4' energy: -127.016 flat angles P-C4'-P energy: -92.538 tors. eta vs tors. theta energy: -83.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -984.015524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.015524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.015524 (E_RNA) where: Base-Base interactions energy: -495.853 where: short stacking energy: -284.192 Base-Backbone interact. energy: 2.037 local terms energy: -490.199608 where: bonds (distance) C4'-P energy: -117.696 bonds (distance) P-C4' energy: -134.499 flat angles C4'-P-C4' energy: -139.716 flat angles P-C4'-P energy: -68.735 tors. eta vs tors. theta energy: -29.554 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: 3 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -862.184770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.184770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.184770 (E_RNA) where: Base-Base interactions energy: -430.822 where: short stacking energy: -249.599 Base-Backbone interact. energy: -0.494 local terms energy: -430.868057 where: bonds (distance) C4'-P energy: -108.167 bonds (distance) P-C4' energy: -147.042 flat angles C4'-P-C4' energy: -125.371 flat angles P-C4'-P energy: -62.692 tors. eta vs tors. theta energy: 12.403 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: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3023.896174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.896174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.896174 (E_RNA) where: Base-Base interactions energy: -2099.081 where: short stacking energy: -859.558 Base-Backbone interact. energy: -1.839 local terms energy: -922.976010 where: bonds (distance) C4'-P energy: -161.204 bonds (distance) P-C4' energy: -177.766 flat angles C4'-P-C4' energy: -189.879 flat angles P-C4'-P energy: -130.834 tors. eta vs tors. theta energy: -263.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2896.218485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.218485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.218485 (E_RNA) where: Base-Base interactions energy: -2002.222 where: short stacking energy: -833.344 Base-Backbone interact. energy: -4.107 local terms energy: -889.889305 where: bonds (distance) C4'-P energy: -155.483 bonds (distance) P-C4' energy: -150.076 flat angles C4'-P-C4' energy: -192.840 flat angles P-C4'-P energy: -139.577 tors. eta vs tors. theta energy: -251.914 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: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2735.294052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.294052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.294052 (E_RNA) where: Base-Base interactions energy: -1894.169 where: short stacking energy: -764.003 Base-Backbone interact. energy: -4.617 local terms energy: -836.508484 where: bonds (distance) C4'-P energy: -154.107 bonds (distance) P-C4' energy: -176.973 flat angles C4'-P-C4' energy: -172.881 flat angles P-C4'-P energy: -111.339 tors. eta vs tors. theta energy: -221.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2642.902045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.902045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.902045 (E_RNA) where: Base-Base interactions energy: -1796.686 where: short stacking energy: -742.864 Base-Backbone interact. energy: 0.324 local terms energy: -846.540045 where: bonds (distance) C4'-P energy: -151.306 bonds (distance) P-C4' energy: -157.622 flat angles C4'-P-C4' energy: -188.091 flat angles P-C4'-P energy: -122.450 tors. eta vs tors. theta energy: -227.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2333.518121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.518121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.518121 (E_RNA) where: Base-Base interactions energy: -1580.321 where: short stacking energy: -668.192 Base-Backbone interact. energy: -2.684 local terms energy: -750.513475 where: bonds (distance) C4'-P energy: -151.626 bonds (distance) P-C4' energy: -156.926 flat angles C4'-P-C4' energy: -144.837 flat angles P-C4'-P energy: -100.656 tors. eta vs tors. theta energy: -196.468 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: 6, replica: 8 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2217.502517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.502517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.502517 (E_RNA) where: Base-Base interactions energy: -1489.311 where: short stacking energy: -596.289 Base-Backbone interact. energy: -2.608 local terms energy: -725.582856 where: bonds (distance) C4'-P energy: -134.683 bonds (distance) P-C4' energy: -132.582 flat angles C4'-P-C4' energy: -160.109 flat angles P-C4'-P energy: -118.993 tors. eta vs tors. theta energy: -179.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1955.881696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.881696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.881696 (E_RNA) where: Base-Base interactions energy: -1325.804 where: short stacking energy: -598.087 Base-Backbone interact. energy: 1.597 local terms energy: -631.675079 where: bonds (distance) C4'-P energy: -118.848 bonds (distance) P-C4' energy: -123.936 flat angles C4'-P-C4' energy: -145.470 flat angles P-C4'-P energy: -87.527 tors. eta vs tors. theta energy: -155.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1496.150506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.150506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.150506 (E_RNA) where: Base-Base interactions energy: -921.474 where: short stacking energy: -432.741 Base-Backbone interact. energy: -1.818 local terms energy: -572.858899 where: bonds (distance) C4'-P energy: -144.077 bonds (distance) P-C4' energy: -128.251 flat angles C4'-P-C4' energy: -142.391 flat angles P-C4'-P energy: -77.292 tors. eta vs tors. theta energy: -80.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -952.431932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.431932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.431932 (E_RNA) where: Base-Base interactions energy: -463.352 where: short stacking energy: -279.148 Base-Backbone interact. energy: -4.957 local terms energy: -484.122871 where: bonds (distance) C4'-P energy: -125.688 bonds (distance) P-C4' energy: -141.223 flat angles C4'-P-C4' energy: -119.170 flat angles P-C4'-P energy: -84.576 tors. eta vs tors. theta energy: -13.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -793.370499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.370499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.370499 (E_RNA) where: Base-Base interactions energy: -375.230 where: short stacking energy: -213.763 Base-Backbone interact. energy: -0.714 local terms energy: -417.426697 where: bonds (distance) C4'-P energy: -139.248 bonds (distance) P-C4' energy: -117.856 flat angles C4'-P-C4' energy: -107.658 flat angles P-C4'-P energy: -60.304 tors. eta vs tors. theta energy: 7.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2994.007372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.007372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.007372 (E_RNA) where: Base-Base interactions energy: -2096.465 where: short stacking energy: -829.556 Base-Backbone interact. energy: -5.944 local terms energy: -891.598767 where: bonds (distance) C4'-P energy: -169.556 bonds (distance) P-C4' energy: -165.628 flat angles C4'-P-C4' energy: -177.770 flat angles P-C4'-P energy: -132.315 tors. eta vs tors. theta energy: -246.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2860.542224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.542224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.542224 (E_RNA) where: Base-Base interactions energy: -1982.523 where: short stacking energy: -819.185 Base-Backbone interact. energy: -3.105 local terms energy: -874.914534 where: bonds (distance) C4'-P energy: -145.447 bonds (distance) P-C4' energy: -153.633 flat angles C4'-P-C4' energy: -191.105 flat angles P-C4'-P energy: -139.948 tors. eta vs tors. theta energy: -244.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2740.039509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.039509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.039509 (E_RNA) where: Base-Base interactions energy: -1917.799 where: short stacking energy: -808.123 Base-Backbone interact. energy: -3.309 local terms energy: -818.931335 where: bonds (distance) C4'-P energy: -161.693 bonds (distance) P-C4' energy: -144.656 flat angles C4'-P-C4' energy: -165.613 flat angles P-C4'-P energy: -120.536 tors. eta vs tors. theta energy: -226.433 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: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2616.623349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.623349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.623349 (E_RNA) where: Base-Base interactions energy: -1814.506 where: short stacking energy: -737.005 Base-Backbone interact. energy: -1.127 local terms energy: -800.990054 where: bonds (distance) C4'-P energy: -149.995 bonds (distance) P-C4' energy: -159.440 flat angles C4'-P-C4' energy: -170.148 flat angles P-C4'-P energy: -108.786 tors. eta vs tors. theta energy: -212.621 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: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2323.770759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.770759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.770759 (E_RNA) where: Base-Base interactions energy: -1571.707 where: short stacking energy: -695.104 Base-Backbone interact. energy: -6.674 local terms energy: -745.389367 where: bonds (distance) C4'-P energy: -148.600 bonds (distance) P-C4' energy: -138.312 flat angles C4'-P-C4' energy: -161.404 flat angles P-C4'-P energy: -112.042 tors. eta vs tors. theta energy: -185.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2224.930511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.930511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.930511 (E_RNA) where: Base-Base interactions energy: -1523.009 where: short stacking energy: -675.368 Base-Backbone interact. energy: 1.001 local terms energy: -702.922256 where: bonds (distance) C4'-P energy: -136.465 bonds (distance) P-C4' energy: -125.803 flat angles C4'-P-C4' energy: -145.501 flat angles P-C4'-P energy: -100.335 tors. eta vs tors. theta energy: -194.818 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: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1872.083632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.083632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.083632 (E_RNA) where: Base-Base interactions energy: -1206.945 where: short stacking energy: -517.020 Base-Backbone interact. energy: 0.268 local terms energy: -665.406237 where: bonds (distance) C4'-P energy: -138.571 bonds (distance) P-C4' energy: -144.068 flat angles C4'-P-C4' energy: -154.638 flat angles P-C4'-P energy: -103.628 tors. eta vs tors. theta energy: -124.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1556.649438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.649438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.649438 (E_RNA) where: Base-Base interactions energy: -999.075 where: short stacking energy: -442.238 Base-Backbone interact. energy: -0.500 local terms energy: -557.075073 where: bonds (distance) C4'-P energy: -134.349 bonds (distance) P-C4' energy: -115.088 flat angles C4'-P-C4' energy: -138.242 flat angles P-C4'-P energy: -96.511 tors. eta vs tors. theta energy: -72.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -971.173210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.173210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.173210 (E_RNA) where: Base-Base interactions energy: -524.123 where: short stacking energy: -311.325 Base-Backbone interact. energy: 3.065 local terms energy: -450.114689 where: bonds (distance) C4'-P energy: -123.556 bonds (distance) P-C4' energy: -131.927 flat angles C4'-P-C4' energy: -116.537 flat angles P-C4'-P energy: -54.596 tors. eta vs tors. theta energy: -23.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -818.570810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.570810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.570810 (E_RNA) where: Base-Base interactions energy: -385.065 where: short stacking energy: -214.413 Base-Backbone interact. energy: 10.877 local terms energy: -444.382502 where: bonds (distance) C4'-P energy: -131.144 bonds (distance) P-C4' energy: -147.132 flat angles C4'-P-C4' energy: -102.942 flat angles P-C4'-P energy: -68.838 tors. eta vs tors. theta energy: 5.674 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: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2995.236547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.236547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.236547 (E_RNA) where: Base-Base interactions energy: -2098.875 where: short stacking energy: -844.811 Base-Backbone interact. energy: -1.664 local terms energy: -894.697916 where: bonds (distance) C4'-P energy: -160.282 bonds (distance) P-C4' energy: -164.230 flat angles C4'-P-C4' energy: -191.962 flat angles P-C4'-P energy: -126.621 tors. eta vs tors. theta energy: -251.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2892.042802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.042802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.042802 (E_RNA) where: Base-Base interactions energy: -2004.441 where: short stacking energy: -846.286 Base-Backbone interact. energy: 0.502 local terms energy: -888.103913 where: bonds (distance) C4'-P energy: -158.911 bonds (distance) P-C4' energy: -162.536 flat angles C4'-P-C4' energy: -183.082 flat angles P-C4'-P energy: -131.034 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: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2751.788099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.788099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.788099 (E_RNA) where: Base-Base interactions energy: -1927.941 where: short stacking energy: -786.495 Base-Backbone interact. energy: -4.078 local terms energy: -819.768560 where: bonds (distance) C4'-P energy: -154.810 bonds (distance) P-C4' energy: -152.359 flat angles C4'-P-C4' energy: -170.758 flat angles P-C4'-P energy: -117.063 tors. eta vs tors. theta energy: -224.779 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: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2627.696898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.696898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.696898 (E_RNA) where: Base-Base interactions energy: -1841.165 where: short stacking energy: -760.889 Base-Backbone interact. energy: 2.227 local terms energy: -788.759420 where: bonds (distance) C4'-P energy: -134.259 bonds (distance) P-C4' energy: -160.260 flat angles C4'-P-C4' energy: -179.654 flat angles P-C4'-P energy: -107.317 tors. eta vs tors. theta energy: -207.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2375.925626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.925626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.925626 (E_RNA) where: Base-Base interactions energy: -1627.450 where: short stacking energy: -678.682 Base-Backbone interact. energy: -2.174 local terms energy: -746.301893 where: bonds (distance) C4'-P energy: -135.185 bonds (distance) P-C4' energy: -141.516 flat angles C4'-P-C4' energy: -158.761 flat angles P-C4'-P energy: -109.509 tors. eta vs tors. theta energy: -201.330 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: 6, replica: 9 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2268.503132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.503132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.503132 (E_RNA) where: Base-Base interactions energy: -1549.177 where: short stacking energy: -678.345 Base-Backbone interact. energy: -4.680 local terms energy: -714.646125 where: bonds (distance) C4'-P energy: -134.983 bonds (distance) P-C4' energy: -130.343 flat angles C4'-P-C4' energy: -157.381 flat angles P-C4'-P energy: -103.157 tors. eta vs tors. theta energy: -188.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1852.575483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.575483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.575483 (E_RNA) where: Base-Base interactions energy: -1213.534 where: short stacking energy: -544.845 Base-Backbone interact. energy: -2.743 local terms energy: -636.298708 where: bonds (distance) C4'-P energy: -151.811 bonds (distance) P-C4' energy: -139.809 flat angles C4'-P-C4' energy: -146.861 flat angles P-C4'-P energy: -67.792 tors. eta vs tors. theta energy: -130.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1531.446273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.446273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.446273 (E_RNA) where: Base-Base interactions energy: -962.805 where: short stacking energy: -422.076 Base-Backbone interact. energy: -3.705 local terms energy: -564.936238 where: bonds (distance) C4'-P energy: -131.779 bonds (distance) P-C4' energy: -136.470 flat angles C4'-P-C4' energy: -147.108 flat angles P-C4'-P energy: -75.428 tors. eta vs tors. theta energy: -74.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -864.730455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.730455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.730455 (E_RNA) where: Base-Base interactions energy: -406.646 where: short stacking energy: -251.589 Base-Backbone interact. energy: 0.933 local terms energy: -459.018045 where: bonds (distance) C4'-P energy: -130.634 bonds (distance) P-C4' energy: -127.616 flat angles C4'-P-C4' energy: -109.056 flat angles P-C4'-P energy: -76.785 tors. eta vs tors. theta energy: -14.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -849.889462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.889462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.889462 (E_RNA) where: Base-Base interactions energy: -408.278 where: short stacking energy: -240.740 Base-Backbone interact. energy: 0.584 local terms energy: -442.195838 where: bonds (distance) C4'-P energy: -136.876 bonds (distance) P-C4' energy: -130.110 flat angles C4'-P-C4' energy: -112.026 flat angles P-C4'-P energy: -69.515 tors. eta vs tors. theta energy: 6.331 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)