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-f90ba90c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-f90ba90c/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-f90ba90c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-f90ba90c/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-f90ba90c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-f90ba90c/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-f90ba90c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-f90ba90c/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-f90ba90c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-f90ba90c/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-f90ba90c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-f90ba90c/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-f90ba90c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-f90ba90c/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-f90ba90c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-f90ba90c/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-f90ba90c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-f90ba90c/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-f90ba90c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain2_MIR31HG-f90ba90c/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: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -722.754883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.754883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.754883 (E_RNA) where: Base-Base interactions energy: -214.380 where: short stacking energy: -181.246 Base-Backbone interact. energy: -0.040 local terms energy: -508.335412 where: bonds (distance) C4'-P energy: -153.798 bonds (distance) P-C4' energy: -152.762 flat angles C4'-P-C4' energy: -126.088 flat angles P-C4'-P energy: -84.026 tors. eta vs tors. theta energy: 8.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -702.319297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.319297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.319297 (E_RNA) where: Base-Base interactions energy: -278.647 where: short stacking energy: -205.636 Base-Backbone interact. energy: 12.116 local terms energy: -435.787868 where: bonds (distance) C4'-P energy: -131.787 bonds (distance) P-C4' energy: -129.154 flat angles C4'-P-C4' energy: -132.889 flat angles P-C4'-P energy: -39.159 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 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: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -839.219714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.219714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.219714 (E_RNA) where: Base-Base interactions energy: -309.215 where: short stacking energy: -231.654 Base-Backbone interact. energy: -2.654 local terms energy: -527.350665 where: bonds (distance) C4'-P energy: -148.190 bonds (distance) P-C4' energy: -147.238 flat angles C4'-P-C4' energy: -153.373 flat angles P-C4'-P energy: -78.671 tors. eta vs tors. theta energy: 0.120 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: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -760.595434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.595434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.595434 (E_RNA) where: Base-Base interactions energy: -277.323 where: short stacking energy: -242.022 Base-Backbone interact. energy: -0.015 local terms energy: -483.257742 where: bonds (distance) C4'-P energy: -133.206 bonds (distance) P-C4' energy: -142.665 flat angles C4'-P-C4' energy: -123.307 flat angles P-C4'-P energy: -99.369 tors. eta vs tors. theta energy: 15.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -713.912495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.912495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.912495 (E_RNA) where: Base-Base interactions energy: -295.848 where: short stacking energy: -183.195 Base-Backbone interact. energy: -1.581 local terms energy: -416.483900 where: bonds (distance) C4'-P energy: -124.181 bonds (distance) P-C4' energy: -149.384 flat angles C4'-P-C4' energy: -124.829 flat angles P-C4'-P energy: -64.526 tors. eta vs tors. theta energy: 46.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -948.724718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.724718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.724718 (E_RNA) where: Base-Base interactions energy: -405.772 where: short stacking energy: -320.103 Base-Backbone interact. energy: 0.545 local terms energy: -543.497620 where: bonds (distance) C4'-P energy: -146.188 bonds (distance) P-C4' energy: -152.992 flat angles C4'-P-C4' energy: -125.134 flat angles P-C4'-P energy: -82.965 tors. eta vs tors. theta energy: -36.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -920.247984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.247984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.247984 (E_RNA) where: Base-Base interactions energy: -394.288 where: short stacking energy: -282.481 Base-Backbone interact. energy: -2.322 local terms energy: -523.637845 where: bonds (distance) C4'-P energy: -139.419 bonds (distance) P-C4' energy: -152.379 flat angles C4'-P-C4' energy: -136.279 flat angles P-C4'-P energy: -71.251 tors. eta vs tors. theta energy: -24.310 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: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -835.670993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.670993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.670993 (E_RNA) where: Base-Base interactions energy: -395.759 where: short stacking energy: -234.120 Base-Backbone interact. energy: 6.660 local terms energy: -446.572211 where: bonds (distance) C4'-P energy: -135.854 bonds (distance) P-C4' energy: -132.932 flat angles C4'-P-C4' energy: -115.586 flat angles P-C4'-P energy: -65.585 tors. eta vs tors. theta energy: 3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -689.070335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.070335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.070335 (E_RNA) where: Base-Base interactions energy: -231.051 where: short stacking energy: -192.031 Base-Backbone interact. energy: 5.428 local terms energy: -463.447667 where: bonds (distance) C4'-P energy: -133.676 bonds (distance) P-C4' energy: -148.007 flat angles C4'-P-C4' energy: -120.882 flat angles P-C4'-P energy: -73.814 tors. eta vs tors. theta energy: 12.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 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: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -974.550512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.550512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.550512 (E_RNA) where: Base-Base interactions energy: -413.331 where: short stacking energy: -288.708 Base-Backbone interact. energy: -2.421 local terms energy: -558.798746 where: bonds (distance) C4'-P energy: -156.767 bonds (distance) P-C4' energy: -140.435 flat angles C4'-P-C4' energy: -146.637 flat angles P-C4'-P energy: -81.369 tors. eta vs tors. theta energy: -33.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -890.848488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.848488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.848488 (E_RNA) where: Base-Base interactions energy: -399.575 where: short stacking energy: -289.323 Base-Backbone interact. energy: 0.404 local terms energy: -491.677328 where: bonds (distance) C4'-P energy: -144.228 bonds (distance) P-C4' energy: -135.195 flat angles C4'-P-C4' energy: -127.945 flat angles P-C4'-P energy: -77.755 tors. eta vs tors. theta energy: -6.554 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: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -923.164027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.164027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.164027 (E_RNA) where: Base-Base interactions energy: -406.532 where: short stacking energy: -276.612 Base-Backbone interact. energy: -1.147 local terms energy: -515.485056 where: bonds (distance) C4'-P energy: -131.790 bonds (distance) P-C4' energy: -163.291 flat angles C4'-P-C4' energy: -115.489 flat angles P-C4'-P energy: -82.259 tors. eta vs tors. theta energy: -22.656 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: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -688.187167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.187167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.187167 (E_RNA) where: Base-Base interactions energy: -283.327 where: short stacking energy: -221.159 Base-Backbone interact. energy: -0.224 local terms energy: -404.635938 where: bonds (distance) C4'-P energy: -125.960 bonds (distance) P-C4' energy: -112.220 flat angles C4'-P-C4' energy: -118.715 flat angles P-C4'-P energy: -68.895 tors. eta vs tors. theta energy: 21.155 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: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -632.573858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.573858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.573858 (E_RNA) where: Base-Base interactions energy: -243.812 where: short stacking energy: -187.438 Base-Backbone interact. energy: 4.596 local terms energy: -393.358812 where: bonds (distance) C4'-P energy: -122.145 bonds (distance) P-C4' energy: -150.383 flat angles C4'-P-C4' energy: -109.028 flat angles P-C4'-P energy: -52.033 tors. eta vs tors. theta energy: 40.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1480.833394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.833394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.833394 (E_RNA) where: Base-Base interactions energy: -735.505 where: short stacking energy: -515.253 Base-Backbone interact. energy: 1.814 local terms energy: -747.143137 where: bonds (distance) C4'-P energy: -168.054 bonds (distance) P-C4' energy: -176.360 flat angles C4'-P-C4' energy: -171.954 flat angles P-C4'-P energy: -103.112 tors. eta vs tors. theta energy: -127.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1577.516585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.516585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.516585 (E_RNA) where: Base-Base interactions energy: -860.728 where: short stacking energy: -602.692 Base-Backbone interact. energy: -0.280 local terms energy: -716.507839 where: bonds (distance) C4'-P energy: -147.277 bonds (distance) P-C4' energy: -159.361 flat angles C4'-P-C4' energy: -164.508 flat angles P-C4'-P energy: -101.225 tors. eta vs tors. theta energy: -144.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1410.618029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.618029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.618029 (E_RNA) where: Base-Base interactions energy: -748.743 where: short stacking energy: -445.281 Base-Backbone interact. energy: -0.598 local terms energy: -661.276843 where: bonds (distance) C4'-P energy: -154.367 bonds (distance) P-C4' energy: -164.127 flat angles C4'-P-C4' energy: -152.344 flat angles P-C4'-P energy: -95.300 tors. eta vs tors. theta energy: -95.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1291.420490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.420490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.420490 (E_RNA) where: Base-Base interactions energy: -663.364 where: short stacking energy: -418.269 Base-Backbone interact. energy: 1.240 local terms energy: -629.296369 where: bonds (distance) C4'-P energy: -149.796 bonds (distance) P-C4' energy: -145.037 flat angles C4'-P-C4' energy: -161.775 flat angles P-C4'-P energy: -97.464 tors. eta vs tors. theta energy: -75.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1145.476135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.476135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.476135 (E_RNA) where: Base-Base interactions energy: -552.081 where: short stacking energy: -362.533 Base-Backbone interact. energy: -0.014 local terms energy: -593.381029 where: bonds (distance) C4'-P energy: -152.199 bonds (distance) P-C4' energy: -156.135 flat angles C4'-P-C4' energy: -134.196 flat angles P-C4'-P energy: -79.064 tors. eta vs tors. theta energy: -71.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1074.020702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.020702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.020702 (E_RNA) where: Base-Base interactions energy: -536.316 where: short stacking energy: -359.481 Base-Backbone interact. energy: 4.974 local terms energy: -542.678122 where: bonds (distance) C4'-P energy: -140.427 bonds (distance) P-C4' energy: -167.720 flat angles C4'-P-C4' energy: -131.100 flat angles P-C4'-P energy: -65.513 tors. eta vs tors. theta energy: -37.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -906.196637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.196637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.196637 (E_RNA) where: Base-Base interactions energy: -378.403 where: short stacking energy: -268.509 Base-Backbone interact. energy: 1.505 local terms energy: -529.298601 where: bonds (distance) C4'-P energy: -157.293 bonds (distance) P-C4' energy: -156.589 flat angles C4'-P-C4' energy: -138.351 flat angles P-C4'-P energy: -54.189 tors. eta vs tors. theta energy: -22.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -908.268737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.268737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.268737 (E_RNA) where: Base-Base interactions energy: -476.053 where: short stacking energy: -325.688 Base-Backbone interact. energy: 3.758 local terms energy: -435.974331 where: bonds (distance) C4'-P energy: -99.529 bonds (distance) P-C4' energy: -140.668 flat angles C4'-P-C4' energy: -112.501 flat angles P-C4'-P energy: -62.715 tors. eta vs tors. theta energy: -20.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -738.656542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.656542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.656542 (E_RNA) where: Base-Base interactions energy: -311.567 where: short stacking energy: -237.746 Base-Backbone interact. energy: 4.424 local terms energy: -431.513831 where: bonds (distance) C4'-P energy: -106.218 bonds (distance) P-C4' energy: -146.265 flat angles C4'-P-C4' energy: -122.465 flat angles P-C4'-P energy: -72.186 tors. eta vs tors. theta energy: 15.620 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: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -651.092751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.092751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.092751 (E_RNA) where: Base-Base interactions energy: -266.356 where: short stacking energy: -201.779 Base-Backbone interact. energy: 1.405 local terms energy: -386.141315 where: bonds (distance) C4'-P energy: -116.943 bonds (distance) P-C4' energy: -123.463 flat angles C4'-P-C4' energy: -105.496 flat angles P-C4'-P energy: -56.453 tors. eta vs tors. theta energy: 16.213 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: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1725.430518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.430518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.430518 (E_RNA) where: Base-Base interactions energy: -957.357 where: short stacking energy: -602.913 Base-Backbone interact. energy: -2.688 local terms energy: -765.385890 where: bonds (distance) C4'-P energy: -159.711 bonds (distance) P-C4' energy: -152.200 flat angles C4'-P-C4' energy: -187.098 flat angles P-C4'-P energy: -104.738 tors. eta vs tors. theta energy: -161.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1420.880209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.880209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.880209 (E_RNA) where: Base-Base interactions energy: -700.638 where: short stacking energy: -546.765 Base-Backbone interact. energy: -0.857 local terms energy: -719.385473 where: bonds (distance) C4'-P energy: -157.782 bonds (distance) P-C4' energy: -158.914 flat angles C4'-P-C4' energy: -169.472 flat angles P-C4'-P energy: -103.577 tors. eta vs tors. theta energy: -129.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1445.761524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.761524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.761524 (E_RNA) where: Base-Base interactions energy: -761.287 where: short stacking energy: -482.490 Base-Backbone interact. energy: -0.130 local terms energy: -684.344605 where: bonds (distance) C4'-P energy: -155.168 bonds (distance) P-C4' energy: -159.095 flat angles C4'-P-C4' energy: -171.217 flat angles P-C4'-P energy: -91.694 tors. eta vs tors. theta energy: -107.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1339.969342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.969342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.969342 (E_RNA) where: Base-Base interactions energy: -707.542 where: short stacking energy: -443.198 Base-Backbone interact. energy: 0.509 local terms energy: -632.936346 where: bonds (distance) C4'-P energy: -143.915 bonds (distance) P-C4' energy: -156.479 flat angles C4'-P-C4' energy: -144.377 flat angles P-C4'-P energy: -97.178 tors. eta vs tors. theta energy: -90.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1208.014763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.014763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.014763 (E_RNA) where: Base-Base interactions energy: -604.024 where: short stacking energy: -422.421 Base-Backbone interact. energy: 0.818 local terms energy: -604.808597 where: bonds (distance) C4'-P energy: -146.026 bonds (distance) P-C4' energy: -146.632 flat angles C4'-P-C4' energy: -145.789 flat angles P-C4'-P energy: -82.552 tors. eta vs tors. theta energy: -83.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1098.649174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.649174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.649174 (E_RNA) where: Base-Base interactions energy: -552.541 where: short stacking energy: -342.163 Base-Backbone interact. energy: 1.211 local terms energy: -547.319531 where: bonds (distance) C4'-P energy: -130.936 bonds (distance) P-C4' energy: -150.368 flat angles C4'-P-C4' energy: -127.896 flat angles P-C4'-P energy: -82.931 tors. eta vs tors. theta energy: -55.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -917.026973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.026973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.026973 (E_RNA) where: Base-Base interactions energy: -425.974 where: short stacking energy: -289.779 Base-Backbone interact. energy: 0.337 local terms energy: -491.389664 where: bonds (distance) C4'-P energy: -133.412 bonds (distance) P-C4' energy: -143.528 flat angles C4'-P-C4' energy: -127.535 flat angles P-C4'-P energy: -69.550 tors. eta vs tors. theta energy: -17.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -937.600050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.600050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.600050 (E_RNA) where: Base-Base interactions energy: -468.322 where: short stacking energy: -288.714 Base-Backbone interact. energy: -0.747 local terms energy: -468.530869 where: bonds (distance) C4'-P energy: -151.287 bonds (distance) P-C4' energy: -125.289 flat angles C4'-P-C4' energy: -112.605 flat angles P-C4'-P energy: -65.586 tors. eta vs tors. theta energy: -13.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -781.245843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.245843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.245843 (E_RNA) where: Base-Base interactions energy: -320.078 where: short stacking energy: -242.847 Base-Backbone interact. energy: 5.289 local terms energy: -466.456529 where: bonds (distance) C4'-P energy: -145.103 bonds (distance) P-C4' energy: -129.593 flat angles C4'-P-C4' energy: -124.185 flat angles P-C4'-P energy: -57.998 tors. eta vs tors. theta energy: -9.578 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: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -644.293914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.293914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.293914 (E_RNA) where: Base-Base interactions energy: -258.593 where: short stacking energy: -168.367 Base-Backbone interact. energy: 0.847 local terms energy: -386.547245 where: bonds (distance) C4'-P energy: -115.541 bonds (distance) P-C4' energy: -134.487 flat angles C4'-P-C4' energy: -103.084 flat angles P-C4'-P energy: -53.308 tors. eta vs tors. theta energy: 19.872 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: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1759.959824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.959824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.959824 (E_RNA) where: Base-Base interactions energy: -949.568 where: short stacking energy: -619.062 Base-Backbone interact. energy: -0.582 local terms energy: -809.810053 where: bonds (distance) C4'-P energy: -168.594 bonds (distance) P-C4' energy: -183.773 flat angles C4'-P-C4' energy: -169.161 flat angles P-C4'-P energy: -122.381 tors. eta vs tors. theta energy: -165.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1584.837832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.837832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.837832 (E_RNA) where: Base-Base interactions energy: -850.618 where: short stacking energy: -550.717 Base-Backbone interact. energy: -0.101 local terms energy: -734.118039 where: bonds (distance) C4'-P energy: -179.663 bonds (distance) P-C4' energy: -155.437 flat angles C4'-P-C4' energy: -162.503 flat angles P-C4'-P energy: -104.925 tors. eta vs tors. theta energy: -131.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1275.867906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.867906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.867906 (E_RNA) where: Base-Base interactions energy: -588.527 where: short stacking energy: -451.389 Base-Backbone interact. energy: 1.861 local terms energy: -689.201578 where: bonds (distance) C4'-P energy: -161.755 bonds (distance) P-C4' energy: -162.002 flat angles C4'-P-C4' energy: -156.861 flat angles P-C4'-P energy: -103.774 tors. eta vs tors. theta energy: -104.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1338.160007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.160007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.160007 (E_RNA) where: Base-Base interactions energy: -697.786 where: short stacking energy: -443.613 Base-Backbone interact. energy: 3.860 local terms energy: -644.234550 where: bonds (distance) C4'-P energy: -156.037 bonds (distance) P-C4' energy: -145.849 flat angles C4'-P-C4' energy: -174.066 flat angles P-C4'-P energy: -87.627 tors. eta vs tors. theta energy: -80.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1196.226833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.226833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.226833 (E_RNA) where: Base-Base interactions energy: -577.685 where: short stacking energy: -386.171 Base-Backbone interact. energy: 1.071 local terms energy: -619.612660 where: bonds (distance) C4'-P energy: -132.274 bonds (distance) P-C4' energy: -160.480 flat angles C4'-P-C4' energy: -133.637 flat angles P-C4'-P energy: -112.319 tors. eta vs tors. theta energy: -80.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1161.601113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.601113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.601113 (E_RNA) where: Base-Base interactions energy: -595.064 where: short stacking energy: -334.365 Base-Backbone interact. energy: -2.639 local terms energy: -563.898562 where: bonds (distance) C4'-P energy: -136.270 bonds (distance) P-C4' energy: -142.401 flat angles C4'-P-C4' energy: -138.241 flat angles P-C4'-P energy: -90.370 tors. eta vs tors. theta energy: -56.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1002.616696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.616696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.616696 (E_RNA) where: Base-Base interactions energy: -501.819 where: short stacking energy: -323.516 Base-Backbone interact. energy: 0.392 local terms energy: -501.190005 where: bonds (distance) C4'-P energy: -127.726 bonds (distance) P-C4' energy: -139.159 flat angles C4'-P-C4' energy: -117.065 flat angles P-C4'-P energy: -83.702 tors. eta vs tors. theta energy: -33.538 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: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -969.491412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.491412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.491412 (E_RNA) where: Base-Base interactions energy: -440.787 where: short stacking energy: -287.308 Base-Backbone interact. energy: 1.018 local terms energy: -529.722306 where: bonds (distance) C4'-P energy: -126.655 bonds (distance) P-C4' energy: -157.553 flat angles C4'-P-C4' energy: -137.541 flat angles P-C4'-P energy: -86.898 tors. eta vs tors. theta energy: -21.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -690.019311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.019311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.019311 (E_RNA) where: Base-Base interactions energy: -235.251 where: short stacking energy: -212.277 Base-Backbone interact. energy: 0.380 local terms energy: -455.147980 where: bonds (distance) C4'-P energy: -130.229 bonds (distance) P-C4' energy: -151.519 flat angles C4'-P-C4' energy: -122.379 flat angles P-C4'-P energy: -65.741 tors. eta vs tors. theta energy: 14.721 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: 11 Temperature: 1.350000 Total energy: -617.550437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.550437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.550437 (E_RNA) where: Base-Base interactions energy: -201.427 where: short stacking energy: -170.075 Base-Backbone interact. energy: 4.030 local terms energy: -420.153817 where: bonds (distance) C4'-P energy: -127.134 bonds (distance) P-C4' energy: -128.880 flat angles C4'-P-C4' energy: -99.945 flat angles P-C4'-P energy: -89.315 tors. eta vs tors. theta energy: 25.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1743.099753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.099753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.099753 (E_RNA) where: Base-Base interactions energy: -966.165 where: short stacking energy: -620.687 Base-Backbone interact. energy: -0.613 local terms energy: -776.320819 where: bonds (distance) C4'-P energy: -169.012 bonds (distance) P-C4' energy: -169.438 flat angles C4'-P-C4' energy: -169.454 flat angles P-C4'-P energy: -106.198 tors. eta vs tors. theta energy: -162.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1541.532521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.532521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.532521 (E_RNA) where: Base-Base interactions energy: -855.708 where: short stacking energy: -527.284 Base-Backbone interact. energy: 0.065 local terms energy: -685.889648 where: bonds (distance) C4'-P energy: -147.118 bonds (distance) P-C4' energy: -163.989 flat angles C4'-P-C4' energy: -166.040 flat angles P-C4'-P energy: -106.799 tors. eta vs tors. theta energy: -101.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1524.609739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.609739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.609739 (E_RNA) where: Base-Base interactions energy: -852.066 where: short stacking energy: -521.071 Base-Backbone interact. energy: 2.016 local terms energy: -674.560102 where: bonds (distance) C4'-P energy: -140.351 bonds (distance) P-C4' energy: -159.554 flat angles C4'-P-C4' energy: -156.698 flat angles P-C4'-P energy: -100.440 tors. eta vs tors. theta energy: -117.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1161.000365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.000365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.000365 (E_RNA) where: Base-Base interactions energy: -529.833 where: short stacking energy: -386.559 Base-Backbone interact. energy: -0.440 local terms energy: -630.726898 where: bonds (distance) C4'-P energy: -159.999 bonds (distance) P-C4' energy: -147.654 flat angles C4'-P-C4' energy: -157.670 flat angles P-C4'-P energy: -100.233 tors. eta vs tors. theta energy: -65.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1385.588490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.588490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.588490 (E_RNA) where: Base-Base interactions energy: -771.715 where: short stacking energy: -418.168 Base-Backbone interact. energy: -3.111 local terms energy: -610.761734 where: bonds (distance) C4'-P energy: -146.931 bonds (distance) P-C4' energy: -152.627 flat angles C4'-P-C4' energy: -137.142 flat angles P-C4'-P energy: -98.802 tors. eta vs tors. theta energy: -75.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1104.143583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.143583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.143583 (E_RNA) where: Base-Base interactions energy: -547.819 where: short stacking energy: -328.211 Base-Backbone interact. energy: 0.572 local terms energy: -556.896756 where: bonds (distance) C4'-P energy: -160.016 bonds (distance) P-C4' energy: -154.266 flat angles C4'-P-C4' energy: -140.357 flat angles P-C4'-P energy: -63.326 tors. eta vs tors. theta energy: -38.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1006.304322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.304322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.304322 (E_RNA) where: Base-Base interactions energy: -466.240 where: short stacking energy: -313.281 Base-Backbone interact. energy: -0.831 local terms energy: -539.233270 where: bonds (distance) C4'-P energy: -126.313 bonds (distance) P-C4' energy: -150.165 flat angles C4'-P-C4' energy: -138.960 flat angles P-C4'-P energy: -90.811 tors. eta vs tors. theta energy: -32.984 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: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -903.673509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.673509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.673509 (E_RNA) where: Base-Base interactions energy: -408.439 where: short stacking energy: -266.159 Base-Backbone interact. energy: -2.831 local terms energy: -492.403323 where: bonds (distance) C4'-P energy: -140.722 bonds (distance) P-C4' energy: -145.347 flat angles C4'-P-C4' energy: -121.561 flat angles P-C4'-P energy: -81.321 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: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -700.180943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.180943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.180943 (E_RNA) where: Base-Base interactions energy: -237.783 where: short stacking energy: -176.075 Base-Backbone interact. energy: 4.787 local terms energy: -467.184175 where: bonds (distance) C4'-P energy: -128.355 bonds (distance) P-C4' energy: -153.717 flat angles C4'-P-C4' energy: -135.477 flat angles P-C4'-P energy: -79.948 tors. eta vs tors. theta energy: 30.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -630.779186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.779186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.779186 (E_RNA) where: Base-Base interactions energy: -218.618 where: short stacking energy: -153.974 Base-Backbone interact. energy: 0.769 local terms energy: -412.929691 where: bonds (distance) C4'-P energy: -145.121 bonds (distance) P-C4' energy: -133.818 flat angles C4'-P-C4' energy: -104.868 flat angles P-C4'-P energy: -64.861 tors. eta vs tors. theta energy: 35.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1792.206792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.206792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.206792 (E_RNA) where: Base-Base interactions energy: -1021.123 where: short stacking energy: -629.126 Base-Backbone interact. energy: 1.541 local terms energy: -772.625208 where: bonds (distance) C4'-P energy: -151.751 bonds (distance) P-C4' energy: -170.508 flat angles C4'-P-C4' energy: -171.819 flat angles P-C4'-P energy: -108.011 tors. eta vs tors. theta energy: -170.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1632.600499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.600499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.600499 (E_RNA) where: Base-Base interactions energy: -881.538 where: short stacking energy: -545.921 Base-Backbone interact. energy: -1.769 local terms energy: -749.293894 where: bonds (distance) C4'-P energy: -178.030 bonds (distance) P-C4' energy: -173.783 flat angles C4'-P-C4' energy: -173.995 flat angles P-C4'-P energy: -95.755 tors. eta vs tors. theta energy: -127.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1578.698939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.698939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.698939 (E_RNA) where: Base-Base interactions energy: -876.208 where: short stacking energy: -492.514 Base-Backbone interact. energy: -1.438 local terms energy: -701.053131 where: bonds (distance) C4'-P energy: -155.254 bonds (distance) P-C4' energy: -167.142 flat angles C4'-P-C4' energy: -150.544 flat angles P-C4'-P energy: -103.571 tors. eta vs tors. theta energy: -124.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1592.920132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.920132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.920132 (E_RNA) where: Base-Base interactions energy: -909.907 where: short stacking energy: -492.423 Base-Backbone interact. energy: -3.542 local terms energy: -679.471004 where: bonds (distance) C4'-P energy: -137.765 bonds (distance) P-C4' energy: -161.144 flat angles C4'-P-C4' energy: -161.271 flat angles P-C4'-P energy: -107.039 tors. eta vs tors. theta energy: -112.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1116.614240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.614240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.614240 (E_RNA) where: Base-Base interactions energy: -493.556 where: short stacking energy: -351.906 Base-Backbone interact. energy: 0.508 local terms energy: -623.566028 where: bonds (distance) C4'-P energy: -162.147 bonds (distance) P-C4' energy: -144.136 flat angles C4'-P-C4' energy: -145.382 flat angles P-C4'-P energy: -103.188 tors. eta vs tors. theta energy: -68.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1134.890826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.890826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.890826 (E_RNA) where: Base-Base interactions energy: -567.384 where: short stacking energy: -323.444 Base-Backbone interact. energy: 3.991 local terms energy: -571.498141 where: bonds (distance) C4'-P energy: -136.461 bonds (distance) P-C4' energy: -151.985 flat angles C4'-P-C4' energy: -138.389 flat angles P-C4'-P energy: -94.502 tors. eta vs tors. theta energy: -50.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1095.061808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.061808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.061808 (E_RNA) where: Base-Base interactions energy: -595.593 where: short stacking energy: -348.010 Base-Backbone interact. energy: -0.776 local terms energy: -498.692646 where: bonds (distance) C4'-P energy: -136.436 bonds (distance) P-C4' energy: -160.437 flat angles C4'-P-C4' energy: -113.603 flat angles P-C4'-P energy: -63.684 tors. eta vs tors. theta energy: -24.532 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: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -841.972611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.972611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.972611 (E_RNA) where: Base-Base interactions energy: -349.387 where: short stacking energy: -227.887 Base-Backbone interact. energy: 4.785 local terms energy: -497.371503 where: bonds (distance) C4'-P energy: -139.012 bonds (distance) P-C4' energy: -134.647 flat angles C4'-P-C4' energy: -142.147 flat angles P-C4'-P energy: -83.267 tors. eta vs tors. theta energy: 1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -681.112830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.112830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.112830 (E_RNA) where: Base-Base interactions energy: -273.667 where: short stacking energy: -214.754 Base-Backbone interact. energy: 1.256 local terms energy: -408.701924 where: bonds (distance) C4'-P energy: -112.497 bonds (distance) P-C4' energy: -152.796 flat angles C4'-P-C4' energy: -105.104 flat angles P-C4'-P energy: -51.275 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: 13 Temperature: 1.350000 Total energy: -613.352799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.352799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.352799 (E_RNA) where: Base-Base interactions energy: -221.753 where: short stacking energy: -191.031 Base-Backbone interact. energy: -0.877 local terms energy: -390.722639 where: bonds (distance) C4'-P energy: -116.652 bonds (distance) P-C4' energy: -138.389 flat angles C4'-P-C4' energy: -119.490 flat angles P-C4'-P energy: -57.665 tors. eta vs tors. theta energy: 41.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1866.865537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.865537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.865537 (E_RNA) where: Base-Base interactions energy: -1067.752 where: short stacking energy: -618.897 Base-Backbone interact. energy: 0.220 local terms energy: -799.333265 where: bonds (distance) C4'-P energy: -161.934 bonds (distance) P-C4' energy: -172.516 flat angles C4'-P-C4' energy: -169.261 flat angles P-C4'-P energy: -133.390 tors. eta vs tors. theta energy: -162.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1686.743889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.743889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.743889 (E_RNA) where: Base-Base interactions energy: -919.371 where: short stacking energy: -584.616 Base-Backbone interact. energy: -2.602 local terms energy: -764.771479 where: bonds (distance) C4'-P energy: -168.069 bonds (distance) P-C4' energy: -164.635 flat angles C4'-P-C4' energy: -166.281 flat angles P-C4'-P energy: -111.990 tors. eta vs tors. theta energy: -153.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1813.529162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.529162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.529162 (E_RNA) where: Base-Base interactions energy: -1108.059 where: short stacking energy: -552.892 Base-Backbone interact. energy: -5.018 local terms energy: -700.452160 where: bonds (distance) C4'-P energy: -151.673 bonds (distance) P-C4' energy: -167.922 flat angles C4'-P-C4' energy: -147.982 flat angles P-C4'-P energy: -92.785 tors. eta vs tors. theta energy: -140.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1554.342789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.342789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.342789 (E_RNA) where: Base-Base interactions energy: -869.943 where: short stacking energy: -515.614 Base-Backbone interact. energy: -2.368 local terms energy: -682.032479 where: bonds (distance) C4'-P energy: -139.636 bonds (distance) P-C4' energy: -152.775 flat angles C4'-P-C4' energy: -162.817 flat angles P-C4'-P energy: -108.335 tors. eta vs tors. theta energy: -118.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1083.671446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.671446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.671446 (E_RNA) where: Base-Base interactions energy: -487.571 where: short stacking energy: -359.432 Base-Backbone interact. energy: -2.762 local terms energy: -593.338402 where: bonds (distance) C4'-P energy: -142.319 bonds (distance) P-C4' energy: -167.561 flat angles C4'-P-C4' energy: -132.699 flat angles P-C4'-P energy: -111.116 tors. eta vs tors. theta energy: -39.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1140.419299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.419299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.419299 (E_RNA) where: Base-Base interactions energy: -564.323 where: short stacking energy: -353.943 Base-Backbone interact. energy: -0.723 local terms energy: -575.372952 where: bonds (distance) C4'-P energy: -117.389 bonds (distance) P-C4' energy: -164.707 flat angles C4'-P-C4' energy: -140.934 flat angles P-C4'-P energy: -81.619 tors. eta vs tors. theta energy: -70.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1157.638403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.638403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.638403 (E_RNA) where: Base-Base interactions energy: -563.002 where: short stacking energy: -340.358 Base-Backbone interact. energy: -1.873 local terms energy: -592.763341 where: bonds (distance) C4'-P energy: -141.930 bonds (distance) P-C4' energy: -163.088 flat angles C4'-P-C4' energy: -142.989 flat angles P-C4'-P energy: -96.848 tors. eta vs tors. theta energy: -47.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -822.677080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.677080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.677080 (E_RNA) where: Base-Base interactions energy: -346.266 where: short stacking energy: -261.751 Base-Backbone interact. energy: -2.269 local terms energy: -474.142233 where: bonds (distance) C4'-P energy: -147.999 bonds (distance) P-C4' energy: -143.035 flat angles C4'-P-C4' energy: -115.993 flat angles P-C4'-P energy: -53.003 tors. eta vs tors. theta energy: -14.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -661.335624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.335624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.335624 (E_RNA) where: Base-Base interactions energy: -236.925 where: short stacking energy: -201.208 Base-Backbone interact. energy: 3.809 local terms energy: -428.219701 where: bonds (distance) C4'-P energy: -141.727 bonds (distance) P-C4' energy: -144.780 flat angles C4'-P-C4' energy: -112.217 flat angles P-C4'-P energy: -49.682 tors. eta vs tors. theta energy: 20.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -638.560081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.560081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.560081 (E_RNA) where: Base-Base interactions energy: -220.704 where: short stacking energy: -195.677 Base-Backbone interact. energy: 5.483 local terms energy: -423.339532 where: bonds (distance) C4'-P energy: -134.486 bonds (distance) P-C4' energy: -144.654 flat angles C4'-P-C4' energy: -87.614 flat angles P-C4'-P energy: -79.102 tors. eta vs tors. theta energy: 22.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1895.649054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.649054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.649054 (E_RNA) where: Base-Base interactions energy: -1075.153 where: short stacking energy: -669.965 Base-Backbone interact. energy: -6.732 local terms energy: -813.764018 where: bonds (distance) C4'-P energy: -171.309 bonds (distance) P-C4' energy: -167.751 flat angles C4'-P-C4' energy: -166.126 flat angles P-C4'-P energy: -122.241 tors. eta vs tors. theta energy: -186.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1984.551023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.551023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.551023 (E_RNA) where: Base-Base interactions energy: -1206.014 where: short stacking energy: -647.445 Base-Backbone interact. energy: -1.759 local terms energy: -776.778369 where: bonds (distance) C4'-P energy: -165.437 bonds (distance) P-C4' energy: -161.093 flat angles C4'-P-C4' energy: -174.032 flat angles P-C4'-P energy: -115.385 tors. eta vs tors. theta energy: -160.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1583.050964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.050964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.050964 (E_RNA) where: Base-Base interactions energy: -871.535 where: short stacking energy: -544.342 Base-Backbone interact. energy: 0.525 local terms energy: -712.040895 where: bonds (distance) C4'-P energy: -157.571 bonds (distance) P-C4' energy: -150.073 flat angles C4'-P-C4' energy: -178.641 flat angles P-C4'-P energy: -105.506 tors. eta vs tors. theta energy: -120.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1609.181076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.181076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.181076 (E_RNA) where: Base-Base interactions energy: -938.181 where: short stacking energy: -487.854 Base-Backbone interact. energy: 0.151 local terms energy: -671.150606 where: bonds (distance) C4'-P energy: -154.689 bonds (distance) P-C4' energy: -146.181 flat angles C4'-P-C4' energy: -155.383 flat angles P-C4'-P energy: -102.531 tors. eta vs tors. theta energy: -112.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1080.205015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.205015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.205015 (E_RNA) where: Base-Base interactions energy: -472.671 where: short stacking energy: -368.362 Base-Backbone interact. energy: -0.848 local terms energy: -606.685597 where: bonds (distance) C4'-P energy: -147.355 bonds (distance) P-C4' energy: -148.289 flat angles C4'-P-C4' energy: -163.931 flat angles P-C4'-P energy: -89.791 tors. eta vs tors. theta energy: -57.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1257.143616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.143616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.143616 (E_RNA) where: Base-Base interactions energy: -681.840 where: short stacking energy: -394.804 Base-Backbone interact. energy: -3.245 local terms energy: -572.058196 where: bonds (distance) C4'-P energy: -140.690 bonds (distance) P-C4' energy: -156.596 flat angles C4'-P-C4' energy: -139.794 flat angles P-C4'-P energy: -97.680 tors. eta vs tors. theta energy: -37.297 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: 15 Temperature: 1.200000 Total energy: -1072.203321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.203321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.203321 (E_RNA) where: Base-Base interactions energy: -518.401 where: short stacking energy: -346.538 Base-Backbone interact. energy: 0.338 local terms energy: -554.140228 where: bonds (distance) C4'-P energy: -124.989 bonds (distance) P-C4' energy: -144.768 flat angles C4'-P-C4' energy: -151.985 flat angles P-C4'-P energy: -79.865 tors. eta vs tors. theta energy: -52.534 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: 6 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -867.980916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.980916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.980916 (E_RNA) where: Base-Base interactions energy: -395.423 where: short stacking energy: -233.012 Base-Backbone interact. energy: -5.001 local terms energy: -467.557002 where: bonds (distance) C4'-P energy: -143.273 bonds (distance) P-C4' energy: -141.347 flat angles C4'-P-C4' energy: -116.331 flat angles P-C4'-P energy: -79.606 tors. eta vs tors. theta energy: 13.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -663.319976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.319976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.319976 (E_RNA) where: Base-Base interactions energy: -239.279 where: short stacking energy: -193.472 Base-Backbone interact. energy: -1.320 local terms energy: -422.721755 where: bonds (distance) C4'-P energy: -136.600 bonds (distance) P-C4' energy: -146.081 flat angles C4'-P-C4' energy: -89.951 flat angles P-C4'-P energy: -57.240 tors. eta vs tors. theta energy: 7.150 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: 15 Temperature: 1.350000 Total energy: -606.598321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.598321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.598321 (E_RNA) where: Base-Base interactions energy: -216.651 where: short stacking energy: -157.175 Base-Backbone interact. energy: -1.445 local terms energy: -388.502296 where: bonds (distance) C4'-P energy: -127.390 bonds (distance) P-C4' energy: -135.238 flat angles C4'-P-C4' energy: -118.971 flat angles P-C4'-P energy: -49.480 tors. eta vs tors. theta energy: 42.577 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: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2099.346454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.346454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.346454 (E_RNA) where: Base-Base interactions energy: -1294.448 where: short stacking energy: -680.630 Base-Backbone interact. energy: -3.132 local terms energy: -801.765655 where: bonds (distance) C4'-P energy: -169.822 bonds (distance) P-C4' energy: -173.603 flat angles C4'-P-C4' energy: -172.452 flat angles P-C4'-P energy: -106.601 tors. eta vs tors. theta energy: -179.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1829.403148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.403148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.403148 (E_RNA) where: Base-Base interactions energy: -1051.081 where: short stacking energy: -637.755 Base-Backbone interact. energy: -0.886 local terms energy: -777.435820 where: bonds (distance) C4'-P energy: -166.188 bonds (distance) P-C4' energy: -154.782 flat angles C4'-P-C4' energy: -165.195 flat angles P-C4'-P energy: -111.229 tors. eta vs tors. theta energy: -180.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1819.301595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.301595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.301595 (E_RNA) where: Base-Base interactions energy: -1070.624 where: short stacking energy: -569.773 Base-Backbone interact. energy: -2.153 local terms energy: -746.525357 where: bonds (distance) C4'-P energy: -152.977 bonds (distance) P-C4' energy: -166.880 flat angles C4'-P-C4' energy: -181.247 flat angles P-C4'-P energy: -88.139 tors. eta vs tors. theta energy: -157.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1445.896881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.896881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.896881 (E_RNA) where: Base-Base interactions energy: -763.204 where: short stacking energy: -443.535 Base-Backbone interact. energy: 0.096 local terms energy: -682.788761 where: bonds (distance) C4'-P energy: -163.458 bonds (distance) P-C4' energy: -166.425 flat angles C4'-P-C4' energy: -156.817 flat angles P-C4'-P energy: -96.192 tors. eta vs tors. theta energy: -99.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1489.118321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.118321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.118321 (E_RNA) where: Base-Base interactions energy: -888.135 where: short stacking energy: -478.033 Base-Backbone interact. energy: 9.819 local terms energy: -610.801836 where: bonds (distance) C4'-P energy: -127.877 bonds (distance) P-C4' energy: -146.191 flat angles C4'-P-C4' energy: -145.416 flat angles P-C4'-P energy: -91.717 tors. eta vs tors. theta energy: -99.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -994.704551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.704551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.704551 (E_RNA) where: Base-Base interactions energy: -437.188 where: short stacking energy: -325.693 Base-Backbone interact. energy: -0.147 local terms energy: -557.368736 where: bonds (distance) C4'-P energy: -142.272 bonds (distance) P-C4' energy: -153.775 flat angles C4'-P-C4' energy: -126.580 flat angles P-C4'-P energy: -78.294 tors. eta vs tors. theta energy: -56.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1130.358642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.358642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.358642 (E_RNA) where: Base-Base interactions energy: -609.912 where: short stacking energy: -342.922 Base-Backbone interact. energy: -0.721 local terms energy: -519.725188 where: bonds (distance) C4'-P energy: -136.077 bonds (distance) P-C4' energy: -157.482 flat angles C4'-P-C4' energy: -127.125 flat angles P-C4'-P energy: -73.485 tors. eta vs tors. theta energy: -25.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -806.466485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.466485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.466485 (E_RNA) where: Base-Base interactions energy: -342.531 where: short stacking energy: -233.441 Base-Backbone interact. energy: 2.883 local terms energy: -466.818338 where: bonds (distance) C4'-P energy: -138.540 bonds (distance) P-C4' energy: -138.775 flat angles C4'-P-C4' energy: -134.559 flat angles P-C4'-P energy: -67.377 tors. eta vs tors. theta energy: 12.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -696.968531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.968531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.968531 (E_RNA) where: Base-Base interactions energy: -266.799 where: short stacking energy: -226.480 Base-Backbone interact. energy: 1.381 local terms energy: -431.550677 where: bonds (distance) C4'-P energy: -131.767 bonds (distance) P-C4' energy: -129.865 flat angles C4'-P-C4' energy: -100.602 flat angles P-C4'-P energy: -64.552 tors. eta vs tors. theta energy: -4.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -622.362905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.362905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.362905 (E_RNA) where: Base-Base interactions energy: -212.933 where: short stacking energy: -183.906 Base-Backbone interact. energy: -0.329 local terms energy: -409.100729 where: bonds (distance) C4'-P energy: -113.888 bonds (distance) P-C4' energy: -150.007 flat angles C4'-P-C4' energy: -116.272 flat angles P-C4'-P energy: -50.945 tors. eta vs tors. theta energy: 22.012 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: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2068.770461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.770461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.770461 (E_RNA) where: Base-Base interactions energy: -1241.658 where: short stacking energy: -662.241 Base-Backbone interact. energy: -5.953 local terms energy: -821.159043 where: bonds (distance) C4'-P energy: -146.899 bonds (distance) P-C4' energy: -170.669 flat angles C4'-P-C4' energy: -187.907 flat angles P-C4'-P energy: -137.673 tors. eta vs tors. theta energy: -178.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1866.824283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.824283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.824283 (E_RNA) where: Base-Base interactions energy: -1122.027 where: short stacking energy: -585.420 Base-Backbone interact. energy: 0.708 local terms energy: -745.505820 where: bonds (distance) C4'-P energy: -163.639 bonds (distance) P-C4' energy: -165.634 flat angles C4'-P-C4' energy: -171.939 flat angles P-C4'-P energy: -111.886 tors. eta vs tors. theta energy: -132.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1691.497833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.497833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.497833 (E_RNA) where: Base-Base interactions energy: -963.167 where: short stacking energy: -549.763 Base-Backbone interact. energy: -4.260 local terms energy: -724.070803 where: bonds (distance) C4'-P energy: -139.905 bonds (distance) P-C4' energy: -154.392 flat angles C4'-P-C4' energy: -161.641 flat angles P-C4'-P energy: -120.603 tors. eta vs tors. theta energy: -147.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1493.988626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.988626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.988626 (E_RNA) where: Base-Base interactions energy: -839.696 where: short stacking energy: -471.289 Base-Backbone interact. energy: -0.550 local terms energy: -653.742670 where: bonds (distance) C4'-P energy: -155.161 bonds (distance) P-C4' energy: -146.394 flat angles C4'-P-C4' energy: -156.708 flat angles P-C4'-P energy: -92.060 tors. eta vs tors. theta energy: -103.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1458.730686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.730686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.730686 (E_RNA) where: Base-Base interactions energy: -807.012 where: short stacking energy: -433.453 Base-Backbone interact. energy: 4.013 local terms energy: -655.731737 where: bonds (distance) C4'-P energy: -165.631 bonds (distance) P-C4' energy: -186.165 flat angles C4'-P-C4' energy: -153.500 flat angles P-C4'-P energy: -75.250 tors. eta vs tors. theta energy: -75.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1291.100515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.100515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.100515 (E_RNA) where: Base-Base interactions energy: -693.062 where: short stacking energy: -353.232 Base-Backbone interact. energy: -3.332 local terms energy: -594.706390 where: bonds (distance) C4'-P energy: -163.439 bonds (distance) P-C4' energy: -151.337 flat angles C4'-P-C4' energy: -151.490 flat angles P-C4'-P energy: -88.474 tors. eta vs tors. theta energy: -39.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -956.940747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.940747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.940747 (E_RNA) where: Base-Base interactions energy: -448.801 where: short stacking energy: -237.140 Base-Backbone interact. energy: 6.828 local terms energy: -514.967634 where: bonds (distance) C4'-P energy: -137.758 bonds (distance) P-C4' energy: -166.375 flat angles C4'-P-C4' energy: -111.970 flat angles P-C4'-P energy: -87.762 tors. eta vs tors. theta energy: -11.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -811.644985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.644985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.644985 (E_RNA) where: Base-Base interactions energy: -318.912 where: short stacking energy: -233.955 Base-Backbone interact. energy: 1.869 local terms energy: -494.602009 where: bonds (distance) C4'-P energy: -122.610 bonds (distance) P-C4' energy: -156.864 flat angles C4'-P-C4' energy: -116.087 flat angles P-C4'-P energy: -94.126 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -680.505870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.505870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.505870 (E_RNA) where: Base-Base interactions energy: -230.273 where: short stacking energy: -202.696 Base-Backbone interact. energy: 1.320 local terms energy: -451.553136 where: bonds (distance) C4'-P energy: -125.941 bonds (distance) P-C4' energy: -137.067 flat angles C4'-P-C4' energy: -128.002 flat angles P-C4'-P energy: -65.802 tors. eta vs tors. theta energy: 5.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -584.359717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.359717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.359717 (E_RNA) where: Base-Base interactions energy: -187.039 where: short stacking energy: -143.246 Base-Backbone interact. energy: 7.623 local terms energy: -404.943652 where: bonds (distance) C4'-P energy: -120.746 bonds (distance) P-C4' energy: -145.809 flat angles C4'-P-C4' energy: -110.245 flat angles P-C4'-P energy: -80.667 tors. eta vs tors. theta energy: 52.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2031.839281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.839281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.839281 (E_RNA) where: Base-Base interactions energy: -1227.327 where: short stacking energy: -661.992 Base-Backbone interact. energy: -0.002 local terms energy: -804.510955 where: bonds (distance) C4'-P energy: -153.982 bonds (distance) P-C4' energy: -179.078 flat angles C4'-P-C4' energy: -182.000 flat angles P-C4'-P energy: -115.621 tors. eta vs tors. theta energy: -173.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1885.268916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.268916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.268916 (E_RNA) where: Base-Base interactions energy: -1144.076 where: short stacking energy: -609.177 Base-Backbone interact. energy: 0.758 local terms energy: -741.950878 where: bonds (distance) C4'-P energy: -165.345 bonds (distance) P-C4' energy: -165.546 flat angles C4'-P-C4' energy: -164.522 flat angles P-C4'-P energy: -93.575 tors. eta vs tors. theta energy: -152.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1666.248422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.248422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.248422 (E_RNA) where: Base-Base interactions energy: -942.236 where: short stacking energy: -542.572 Base-Backbone interact. energy: -1.057 local terms energy: -722.954826 where: bonds (distance) C4'-P energy: -143.881 bonds (distance) P-C4' energy: -165.605 flat angles C4'-P-C4' energy: -169.938 flat angles P-C4'-P energy: -96.687 tors. eta vs tors. theta energy: -146.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1521.433585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.433585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.433585 (E_RNA) where: Base-Base interactions energy: -859.342 where: short stacking energy: -501.599 Base-Backbone interact. energy: 1.226 local terms energy: -663.317964 where: bonds (distance) C4'-P energy: -138.548 bonds (distance) P-C4' energy: -141.714 flat angles C4'-P-C4' energy: -167.518 flat angles P-C4'-P energy: -98.594 tors. eta vs tors. theta energy: -116.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1432.654701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.654701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.654701 (E_RNA) where: Base-Base interactions energy: -785.729 where: short stacking energy: -413.767 Base-Backbone interact. energy: 1.081 local terms energy: -648.006940 where: bonds (distance) C4'-P energy: -150.097 bonds (distance) P-C4' energy: -172.258 flat angles C4'-P-C4' energy: -160.027 flat angles P-C4'-P energy: -88.618 tors. eta vs tors. theta energy: -77.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1258.654963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.654963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.654963 (E_RNA) where: Base-Base interactions energy: -684.053 where: short stacking energy: -388.332 Base-Backbone interact. energy: 1.624 local terms energy: -576.225576 where: bonds (distance) C4'-P energy: -129.201 bonds (distance) P-C4' energy: -135.887 flat angles C4'-P-C4' energy: -152.592 flat angles P-C4'-P energy: -84.380 tors. eta vs tors. theta energy: -74.166 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: 1 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -897.340069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.340069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.340069 (E_RNA) where: Base-Base interactions energy: -414.887 where: short stacking energy: -298.296 Base-Backbone interact. energy: -0.594 local terms energy: -481.858742 where: bonds (distance) C4'-P energy: -123.777 bonds (distance) P-C4' energy: -140.430 flat angles C4'-P-C4' energy: -146.406 flat angles P-C4'-P energy: -62.715 tors. eta vs tors. theta energy: -8.531 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: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -789.194642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.194642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.194642 (E_RNA) where: Base-Base interactions energy: -338.624 where: short stacking energy: -227.056 Base-Backbone interact. energy: -1.730 local terms energy: -448.840942 where: bonds (distance) C4'-P energy: -113.827 bonds (distance) P-C4' energy: -148.622 flat angles C4'-P-C4' energy: -119.485 flat angles P-C4'-P energy: -72.545 tors. eta vs tors. theta energy: 5.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -666.384737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.384737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.384737 (E_RNA) where: Base-Base interactions energy: -225.343 where: short stacking energy: -190.626 Base-Backbone interact. energy: -2.536 local terms energy: -438.505881 where: bonds (distance) C4'-P energy: -127.347 bonds (distance) P-C4' energy: -126.523 flat angles C4'-P-C4' energy: -136.023 flat angles P-C4'-P energy: -70.139 tors. eta vs tors. theta energy: 21.525 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: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -639.540144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.540144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.540144 (E_RNA) where: Base-Base interactions energy: -239.727 where: short stacking energy: -183.903 Base-Backbone interact. energy: 0.724 local terms energy: -400.536911 where: bonds (distance) C4'-P energy: -121.520 bonds (distance) P-C4' energy: -120.286 flat angles C4'-P-C4' energy: -114.330 flat angles P-C4'-P energy: -60.014 tors. eta vs tors. theta energy: 15.613 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: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2173.013880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.013880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.013880 (E_RNA) where: Base-Base interactions energy: -1346.381 where: short stacking energy: -707.367 Base-Backbone interact. energy: -1.949 local terms energy: -824.683260 where: bonds (distance) C4'-P energy: -162.670 bonds (distance) P-C4' energy: -174.092 flat angles C4'-P-C4' energy: -177.462 flat angles P-C4'-P energy: -109.085 tors. eta vs tors. theta energy: -201.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1893.733506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.733506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.733506 (E_RNA) where: Base-Base interactions energy: -1168.363 where: short stacking energy: -575.033 Base-Backbone interact. energy: 1.336 local terms energy: -726.706075 where: bonds (distance) C4'-P energy: -163.057 bonds (distance) P-C4' energy: -164.091 flat angles C4'-P-C4' energy: -154.276 flat angles P-C4'-P energy: -108.188 tors. eta vs tors. theta energy: -137.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1679.314917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.314917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.314917 (E_RNA) where: Base-Base interactions energy: -944.039 where: short stacking energy: -552.876 Base-Backbone interact. energy: 4.930 local terms energy: -740.205059 where: bonds (distance) C4'-P energy: -169.574 bonds (distance) P-C4' energy: -158.747 flat angles C4'-P-C4' energy: -174.678 flat angles P-C4'-P energy: -106.674 tors. eta vs tors. theta energy: -130.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1553.915011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.915011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.915011 (E_RNA) where: Base-Base interactions energy: -865.747 where: short stacking energy: -485.487 Base-Backbone interact. energy: -0.430 local terms energy: -687.738155 where: bonds (distance) C4'-P energy: -155.952 bonds (distance) P-C4' energy: -146.630 flat angles C4'-P-C4' energy: -156.161 flat angles P-C4'-P energy: -96.727 tors. eta vs tors. theta energy: -132.268 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: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1517.736185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.736185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.736185 (E_RNA) where: Base-Base interactions energy: -858.247 where: short stacking energy: -440.294 Base-Backbone interact. energy: 2.736 local terms energy: -662.225010 where: bonds (distance) C4'-P energy: -152.707 bonds (distance) P-C4' energy: -156.212 flat angles C4'-P-C4' energy: -153.709 flat angles P-C4'-P energy: -96.694 tors. eta vs tors. theta energy: -102.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1272.008006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.008006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.008006 (E_RNA) where: Base-Base interactions energy: -700.225 where: short stacking energy: -349.151 Base-Backbone interact. energy: -4.272 local terms energy: -567.511301 where: bonds (distance) C4'-P energy: -135.381 bonds (distance) P-C4' energy: -164.511 flat angles C4'-P-C4' energy: -159.737 flat angles P-C4'-P energy: -75.030 tors. eta vs tors. theta energy: -32.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -987.908561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.908561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.908561 (E_RNA) where: Base-Base interactions energy: -470.235 where: short stacking energy: -304.754 Base-Backbone interact. energy: 0.019 local terms energy: -517.692565 where: bonds (distance) C4'-P energy: -141.006 bonds (distance) P-C4' energy: -142.018 flat angles C4'-P-C4' energy: -133.245 flat angles P-C4'-P energy: -101.239 tors. eta vs tors. theta energy: -0.185 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: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -914.422926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.422926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.422926 (E_RNA) where: Base-Base interactions energy: -435.181 where: short stacking energy: -249.028 Base-Backbone interact. energy: 11.358 local terms energy: -490.599498 where: bonds (distance) C4'-P energy: -116.270 bonds (distance) P-C4' energy: -150.645 flat angles C4'-P-C4' energy: -146.936 flat angles P-C4'-P energy: -77.477 tors. eta vs tors. theta energy: 0.729 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: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -761.935725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.935725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.935725 (E_RNA) where: Base-Base interactions energy: -307.013 where: short stacking energy: -229.716 Base-Backbone interact. energy: -1.830 local terms energy: -453.093045 where: bonds (distance) C4'-P energy: -134.743 bonds (distance) P-C4' energy: -135.710 flat angles C4'-P-C4' energy: -112.164 flat angles P-C4'-P energy: -63.691 tors. eta vs tors. theta energy: -6.786 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: 19 Temperature: 1.350000 Total energy: -702.087374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.087374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.087374 (E_RNA) where: Base-Base interactions energy: -286.472 where: short stacking energy: -188.128 Base-Backbone interact. energy: 0.931 local terms energy: -416.546318 where: bonds (distance) C4'-P energy: -132.614 bonds (distance) P-C4' energy: -134.073 flat angles C4'-P-C4' energy: -115.245 flat angles P-C4'-P energy: -62.914 tors. eta vs tors. theta energy: 28.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2106.653737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.653737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.653737 (E_RNA) where: Base-Base interactions energy: -1283.567 where: short stacking energy: -678.312 Base-Backbone interact. energy: -1.288 local terms energy: -821.798228 where: bonds (distance) C4'-P energy: -161.178 bonds (distance) P-C4' energy: -180.768 flat angles C4'-P-C4' energy: -191.726 flat angles P-C4'-P energy: -109.511 tors. eta vs tors. theta energy: -178.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1903.486646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.486646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.486646 (E_RNA) where: Base-Base interactions energy: -1151.935 where: short stacking energy: -581.310 Base-Backbone interact. energy: -1.400 local terms energy: -750.151454 where: bonds (distance) C4'-P energy: -168.113 bonds (distance) P-C4' energy: -152.519 flat angles C4'-P-C4' energy: -177.456 flat angles P-C4'-P energy: -89.935 tors. eta vs tors. theta energy: -162.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1786.454024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.454024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.454024 (E_RNA) where: Base-Base interactions energy: -1030.897 where: short stacking energy: -635.416 Base-Backbone interact. energy: -0.647 local terms energy: -754.909826 where: bonds (distance) C4'-P energy: -150.828 bonds (distance) P-C4' energy: -149.627 flat angles C4'-P-C4' energy: -166.503 flat angles P-C4'-P energy: -117.421 tors. eta vs tors. theta energy: -170.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1544.238118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.238118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.238118 (E_RNA) where: Base-Base interactions energy: -883.983 where: short stacking energy: -503.088 Base-Backbone interact. energy: 2.419 local terms energy: -662.674597 where: bonds (distance) C4'-P energy: -159.092 bonds (distance) P-C4' energy: -150.880 flat angles C4'-P-C4' energy: -150.334 flat angles P-C4'-P energy: -88.747 tors. eta vs tors. theta energy: -113.621 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: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1612.999658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.999658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.999658 (E_RNA) where: Base-Base interactions energy: -961.421 where: short stacking energy: -490.222 Base-Backbone interact. energy: -1.905 local terms energy: -649.673108 where: bonds (distance) C4'-P energy: -141.260 bonds (distance) P-C4' energy: -143.213 flat angles C4'-P-C4' energy: -155.973 flat angles P-C4'-P energy: -95.577 tors. eta vs tors. theta energy: -113.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1421.194323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.194323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.194323 (E_RNA) where: Base-Base interactions energy: -843.634 where: short stacking energy: -441.078 Base-Backbone interact. energy: 0.760 local terms energy: -578.320231 where: bonds (distance) C4'-P energy: -137.579 bonds (distance) P-C4' energy: -146.106 flat angles C4'-P-C4' energy: -137.673 flat angles P-C4'-P energy: -86.736 tors. eta vs tors. theta energy: -70.226 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: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1024.874130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.874130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.874130 (E_RNA) where: Base-Base interactions energy: -500.042 where: short stacking energy: -334.412 Base-Backbone interact. energy: 2.061 local terms energy: -526.893121 where: bonds (distance) C4'-P energy: -132.443 bonds (distance) P-C4' energy: -147.862 flat angles C4'-P-C4' energy: -130.449 flat angles P-C4'-P energy: -78.933 tors. eta vs tors. theta energy: -37.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -859.227938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.227938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.227938 (E_RNA) where: Base-Base interactions energy: -386.419 where: short stacking energy: -223.155 Base-Backbone interact. energy: 5.303 local terms energy: -478.112219 where: bonds (distance) C4'-P energy: -140.669 bonds (distance) P-C4' energy: -153.103 flat angles C4'-P-C4' energy: -125.683 flat angles P-C4'-P energy: -74.866 tors. eta vs tors. theta energy: 16.209 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: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -839.077331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.077331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.077331 (E_RNA) where: Base-Base interactions energy: -355.636 where: short stacking energy: -242.723 Base-Backbone interact. energy: 4.743 local terms energy: -488.184887 where: bonds (distance) C4'-P energy: -135.337 bonds (distance) P-C4' energy: -145.660 flat angles C4'-P-C4' energy: -118.447 flat angles P-C4'-P energy: -90.524 tors. eta vs tors. theta energy: 1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -676.705150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.705150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.705150 (E_RNA) where: Base-Base interactions energy: -262.955 where: short stacking energy: -183.955 Base-Backbone interact. energy: 6.007 local terms energy: -419.757085 where: bonds (distance) C4'-P energy: -131.773 bonds (distance) P-C4' energy: -138.256 flat angles C4'-P-C4' energy: -121.397 flat angles P-C4'-P energy: -55.719 tors. eta vs tors. theta energy: 27.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2138.861614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.861614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.861614 (E_RNA) where: Base-Base interactions energy: -1329.277 where: short stacking energy: -696.660 Base-Backbone interact. energy: -1.071 local terms energy: -808.513323 where: bonds (distance) C4'-P energy: -147.034 bonds (distance) P-C4' energy: -178.600 flat angles C4'-P-C4' energy: -178.800 flat angles P-C4'-P energy: -116.693 tors. eta vs tors. theta energy: -187.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1952.898669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.898669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.898669 (E_RNA) where: Base-Base interactions energy: -1175.875 where: short stacking energy: -610.064 Base-Backbone interact. energy: -2.599 local terms energy: -774.424599 where: bonds (distance) C4'-P energy: -174.794 bonds (distance) P-C4' energy: -147.769 flat angles C4'-P-C4' energy: -174.301 flat angles P-C4'-P energy: -114.113 tors. eta vs tors. theta energy: -163.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1716.249995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.249995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.249995 (E_RNA) where: Base-Base interactions energy: -974.307 where: short stacking energy: -555.069 Base-Backbone interact. energy: -1.706 local terms energy: -740.237273 where: bonds (distance) C4'-P energy: -154.552 bonds (distance) P-C4' energy: -161.629 flat angles C4'-P-C4' energy: -167.969 flat angles P-C4'-P energy: -108.060 tors. eta vs tors. theta energy: -148.026 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: 4, replica: 8 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1815.033021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.033021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.033021 (E_RNA) where: Base-Base interactions energy: -1130.101 where: short stacking energy: -534.456 Base-Backbone interact. energy: -2.805 local terms energy: -682.127682 where: bonds (distance) C4'-P energy: -135.081 bonds (distance) P-C4' energy: -166.541 flat angles C4'-P-C4' energy: -163.540 flat angles P-C4'-P energy: -98.145 tors. eta vs tors. theta energy: -118.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1417.881497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.881497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.881497 (E_RNA) where: Base-Base interactions energy: -797.409 where: short stacking energy: -431.999 Base-Backbone interact. energy: -0.696 local terms energy: -619.776418 where: bonds (distance) C4'-P energy: -145.843 bonds (distance) P-C4' energy: -140.810 flat angles C4'-P-C4' energy: -155.845 flat angles P-C4'-P energy: -94.105 tors. eta vs tors. theta energy: -83.174 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: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1567.210896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.210896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.210896 (E_RNA) where: Base-Base interactions energy: -968.984 where: short stacking energy: -437.582 Base-Backbone interact. energy: -5.946 local terms energy: -592.280806 where: bonds (distance) C4'-P energy: -144.800 bonds (distance) P-C4' energy: -144.520 flat angles C4'-P-C4' energy: -145.951 flat angles P-C4'-P energy: -88.162 tors. eta vs tors. theta energy: -68.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1045.719687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.719687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.719687 (E_RNA) where: Base-Base interactions energy: -520.163 where: short stacking energy: -290.481 Base-Backbone interact. energy: -1.820 local terms energy: -523.736419 where: bonds (distance) C4'-P energy: -127.575 bonds (distance) P-C4' energy: -133.633 flat angles C4'-P-C4' energy: -124.405 flat angles P-C4'-P energy: -100.109 tors. eta vs tors. theta energy: -38.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -922.283928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.283928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.283928 (E_RNA) where: Base-Base interactions energy: -430.961 where: short stacking energy: -231.664 Base-Backbone interact. energy: 1.608 local terms energy: -492.930794 where: bonds (distance) C4'-P energy: -148.111 bonds (distance) P-C4' energy: -142.366 flat angles C4'-P-C4' energy: -139.610 flat angles P-C4'-P energy: -74.808 tors. eta vs tors. theta energy: 11.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -772.409779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.409779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.409779 (E_RNA) where: Base-Base interactions energy: -327.480 where: short stacking energy: -177.766 Base-Backbone interact. energy: -2.278 local terms energy: -442.651780 where: bonds (distance) C4'-P energy: -129.546 bonds (distance) P-C4' energy: -130.026 flat angles C4'-P-C4' energy: -133.230 flat angles P-C4'-P energy: -73.365 tors. eta vs tors. theta energy: 23.515 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: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -668.482591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.482591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.482591 (E_RNA) where: Base-Base interactions energy: -242.406 where: short stacking energy: -168.416 Base-Backbone interact. energy: 2.171 local terms energy: -428.247869 where: bonds (distance) C4'-P energy: -131.915 bonds (distance) P-C4' energy: -163.441 flat angles C4'-P-C4' energy: -88.658 flat angles P-C4'-P energy: -84.377 tors. eta vs tors. theta energy: 40.144 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: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2173.844357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.844357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.844357 (E_RNA) where: Base-Base interactions energy: -1332.976 where: short stacking energy: -701.387 Base-Backbone interact. energy: -2.513 local terms energy: -838.355717 where: bonds (distance) C4'-P energy: -162.342 bonds (distance) P-C4' energy: -172.514 flat angles C4'-P-C4' energy: -179.167 flat angles P-C4'-P energy: -126.162 tors. eta vs tors. theta energy: -198.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1971.526297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.526297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.526297 (E_RNA) where: Base-Base interactions energy: -1210.554 where: short stacking energy: -646.019 Base-Backbone interact. energy: 0.591 local terms energy: -761.563486 where: bonds (distance) C4'-P energy: -142.753 bonds (distance) P-C4' energy: -149.903 flat angles C4'-P-C4' energy: -187.053 flat angles P-C4'-P energy: -111.470 tors. eta vs tors. theta energy: -170.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1961.342304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.342304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.342304 (E_RNA) where: Base-Base interactions energy: -1224.178 where: short stacking energy: -641.961 Base-Backbone interact. energy: 0.166 local terms energy: -737.329964 where: bonds (distance) C4'-P energy: -157.609 bonds (distance) P-C4' energy: -161.482 flat angles C4'-P-C4' energy: -152.823 flat angles P-C4'-P energy: -100.456 tors. eta vs tors. theta energy: -164.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1630.011687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.011687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.011687 (E_RNA) where: Base-Base interactions energy: -942.126 where: short stacking energy: -520.741 Base-Backbone interact. energy: -2.031 local terms energy: -685.854526 where: bonds (distance) C4'-P energy: -145.916 bonds (distance) P-C4' energy: -174.119 flat angles C4'-P-C4' energy: -152.674 flat angles P-C4'-P energy: -97.332 tors. eta vs tors. theta energy: -115.813 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: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1706.576011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.576011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.576011 (E_RNA) where: Base-Base interactions energy: -1054.123 where: short stacking energy: -497.421 Base-Backbone interact. energy: 0.949 local terms energy: -653.401685 where: bonds (distance) C4'-P energy: -164.707 bonds (distance) P-C4' energy: -151.066 flat angles C4'-P-C4' energy: -155.820 flat angles P-C4'-P energy: -88.284 tors. eta vs tors. theta energy: -93.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1325.205468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.205468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.205468 (E_RNA) where: Base-Base interactions energy: -719.503 where: short stacking energy: -411.538 Base-Backbone interact. energy: -2.963 local terms energy: -602.739651 where: bonds (distance) C4'-P energy: -143.838 bonds (distance) P-C4' energy: -147.790 flat angles C4'-P-C4' energy: -143.682 flat angles P-C4'-P energy: -89.799 tors. eta vs tors. theta energy: -77.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1028.616372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.616372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.616372 (E_RNA) where: Base-Base interactions energy: -521.903 where: short stacking energy: -288.584 Base-Backbone interact. energy: -0.877 local terms energy: -505.836846 where: bonds (distance) C4'-P energy: -136.971 bonds (distance) P-C4' energy: -157.604 flat angles C4'-P-C4' energy: -118.013 flat angles P-C4'-P energy: -83.407 tors. eta vs tors. theta energy: -9.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -868.900066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.900066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.900066 (E_RNA) where: Base-Base interactions energy: -400.972 where: short stacking energy: -256.106 Base-Backbone interact. energy: -0.746 local terms energy: -467.181700 where: bonds (distance) C4'-P energy: -141.866 bonds (distance) P-C4' energy: -121.053 flat angles C4'-P-C4' energy: -131.728 flat angles P-C4'-P energy: -61.295 tors. eta vs tors. theta energy: -11.240 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: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -755.989710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.989710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.989710 (E_RNA) where: Base-Base interactions energy: -341.324 where: short stacking energy: -235.474 Base-Backbone interact. energy: 4.607 local terms energy: -419.272168 where: bonds (distance) C4'-P energy: -122.177 bonds (distance) P-C4' energy: -130.953 flat angles C4'-P-C4' energy: -121.980 flat angles P-C4'-P energy: -43.665 tors. eta vs tors. theta energy: -0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -721.981775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.981775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.981775 (E_RNA) where: Base-Base interactions energy: -289.395 where: short stacking energy: -185.381 Base-Backbone interact. energy: 0.155 local terms energy: -432.741768 where: bonds (distance) C4'-P energy: -127.928 bonds (distance) P-C4' energy: -141.778 flat angles C4'-P-C4' energy: -112.341 flat angles P-C4'-P energy: -68.237 tors. eta vs tors. theta energy: 17.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2174.651525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.651525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.651525 (E_RNA) where: Base-Base interactions energy: -1352.644 where: short stacking energy: -733.876 Base-Backbone interact. energy: 1.065 local terms energy: -823.072399 where: bonds (distance) C4'-P energy: -168.856 bonds (distance) P-C4' energy: -176.393 flat angles C4'-P-C4' energy: -167.593 flat angles P-C4'-P energy: -108.759 tors. eta vs tors. theta energy: -201.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1946.990818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.990818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.990818 (E_RNA) where: Base-Base interactions energy: -1193.875 where: short stacking energy: -585.875 Base-Backbone interact. energy: -3.883 local terms energy: -749.233589 where: bonds (distance) C4'-P energy: -156.286 bonds (distance) P-C4' energy: -152.075 flat angles C4'-P-C4' energy: -176.940 flat angles P-C4'-P energy: -112.411 tors. eta vs tors. theta energy: -151.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1978.294407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.294407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.294407 (E_RNA) where: Base-Base interactions energy: -1252.143 where: short stacking energy: -573.534 Base-Backbone interact. energy: -3.933 local terms energy: -722.217988 where: bonds (distance) C4'-P energy: -159.225 bonds (distance) P-C4' energy: -142.545 flat angles C4'-P-C4' energy: -182.578 flat angles P-C4'-P energy: -98.390 tors. eta vs tors. theta energy: -139.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1831.616542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.616542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.616542 (E_RNA) where: Base-Base interactions energy: -1150.111 where: short stacking energy: -534.490 Base-Backbone interact. energy: 0.817 local terms energy: -682.322005 where: bonds (distance) C4'-P energy: -153.173 bonds (distance) P-C4' energy: -154.944 flat angles C4'-P-C4' energy: -159.857 flat angles P-C4'-P energy: -98.588 tors. eta vs tors. theta energy: -115.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1510.645606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.645606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.645606 (E_RNA) where: Base-Base interactions energy: -847.668 where: short stacking energy: -478.098 Base-Backbone interact. energy: 1.067 local terms energy: -664.045085 where: bonds (distance) C4'-P energy: -159.482 bonds (distance) P-C4' energy: -152.677 flat angles C4'-P-C4' energy: -152.996 flat angles P-C4'-P energy: -87.068 tors. eta vs tors. theta energy: -111.823 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: 2 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1216.915732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.915732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.915732 (E_RNA) where: Base-Base interactions energy: -641.199 where: short stacking energy: -373.568 Base-Backbone interact. energy: 5.199 local terms energy: -580.916236 where: bonds (distance) C4'-P energy: -123.991 bonds (distance) P-C4' energy: -158.279 flat angles C4'-P-C4' energy: -150.829 flat angles P-C4'-P energy: -86.926 tors. eta vs tors. theta energy: -60.891 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: 7, replica: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -991.262938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.262938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.262938 (E_RNA) where: Base-Base interactions energy: -467.878 where: short stacking energy: -246.721 Base-Backbone interact. energy: -2.043 local terms energy: -521.341759 where: bonds (distance) C4'-P energy: -125.556 bonds (distance) P-C4' energy: -155.389 flat angles C4'-P-C4' energy: -152.530 flat angles P-C4'-P energy: -86.371 tors. eta vs tors. theta energy: -1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -801.847980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.847980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.847980 (E_RNA) where: Base-Base interactions energy: -332.961 where: short stacking energy: -256.052 Base-Backbone interact. energy: 0.655 local terms energy: -469.542742 where: bonds (distance) C4'-P energy: -151.646 bonds (distance) P-C4' energy: -125.255 flat angles C4'-P-C4' energy: -107.412 flat angles P-C4'-P energy: -83.356 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -793.935459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.935459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.935459 (E_RNA) where: Base-Base interactions energy: -334.889 where: short stacking energy: -214.679 Base-Backbone interact. energy: -3.098 local terms energy: -455.948797 where: bonds (distance) C4'-P energy: -131.464 bonds (distance) P-C4' energy: -151.446 flat angles C4'-P-C4' energy: -144.994 flat angles P-C4'-P energy: -52.927 tors. eta vs tors. theta energy: 24.882 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: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -699.793389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.793389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.793389 (E_RNA) where: Base-Base interactions energy: -274.659 where: short stacking energy: -179.342 Base-Backbone interact. energy: 1.449 local terms energy: -426.583075 where: bonds (distance) C4'-P energy: -133.422 bonds (distance) P-C4' energy: -149.316 flat angles C4'-P-C4' energy: -114.431 flat angles P-C4'-P energy: -68.129 tors. eta vs tors. theta energy: 38.715 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: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2105.217310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.217310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.217310 (E_RNA) where: Base-Base interactions energy: -1313.439 where: short stacking energy: -697.775 Base-Backbone interact. energy: -0.524 local terms energy: -791.254668 where: bonds (distance) C4'-P energy: -175.396 bonds (distance) P-C4' energy: -148.171 flat angles C4'-P-C4' energy: -164.546 flat angles P-C4'-P energy: -116.748 tors. eta vs tors. theta energy: -186.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1961.149454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.149454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.149454 (E_RNA) where: Base-Base interactions energy: -1220.512 where: short stacking energy: -565.739 Base-Backbone interact. energy: -4.050 local terms energy: -736.588090 where: bonds (distance) C4'-P energy: -158.315 bonds (distance) P-C4' energy: -144.227 flat angles C4'-P-C4' energy: -176.087 flat angles P-C4'-P energy: -109.091 tors. eta vs tors. theta energy: -148.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2062.446665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.446665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.446665 (E_RNA) where: Base-Base interactions energy: -1305.501 where: short stacking energy: -644.964 Base-Backbone interact. energy: -3.169 local terms energy: -753.775928 where: bonds (distance) C4'-P energy: -145.799 bonds (distance) P-C4' energy: -159.677 flat angles C4'-P-C4' energy: -172.834 flat angles P-C4'-P energy: -102.820 tors. eta vs tors. theta energy: -172.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1912.810963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.810963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.810963 (E_RNA) where: Base-Base interactions energy: -1206.087 where: short stacking energy: -554.459 Base-Backbone interact. energy: -6.454 local terms energy: -700.270872 where: bonds (distance) C4'-P energy: -156.356 bonds (distance) P-C4' energy: -160.969 flat angles C4'-P-C4' energy: -172.588 flat angles P-C4'-P energy: -88.054 tors. eta vs tors. theta energy: -122.304 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: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1442.526966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.526966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.526966 (E_RNA) where: Base-Base interactions energy: -780.346 where: short stacking energy: -461.127 Base-Backbone interact. energy: -1.464 local terms energy: -660.717232 where: bonds (distance) C4'-P energy: -156.475 bonds (distance) P-C4' energy: -152.548 flat angles C4'-P-C4' energy: -153.878 flat angles P-C4'-P energy: -94.484 tors. eta vs tors. theta energy: -103.332 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: 24 Temperature: 1.150000 Total energy: -1294.432158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.432158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.432158 (E_RNA) where: Base-Base interactions energy: -727.082 where: short stacking energy: -386.817 Base-Backbone interact. energy: -2.768 local terms energy: -564.582787 where: bonds (distance) C4'-P energy: -141.888 bonds (distance) P-C4' energy: -145.758 flat angles C4'-P-C4' energy: -145.127 flat angles P-C4'-P energy: -85.530 tors. eta vs tors. theta energy: -46.280 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: 1 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -979.175794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.175794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.175794 (E_RNA) where: Base-Base interactions energy: -453.653 where: short stacking energy: -273.667 Base-Backbone interact. energy: 1.520 local terms energy: -527.043464 where: bonds (distance) C4'-P energy: -127.127 bonds (distance) P-C4' energy: -151.986 flat angles C4'-P-C4' energy: -129.057 flat angles P-C4'-P energy: -104.124 tors. eta vs tors. theta energy: -14.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -862.253816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.253816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.253816 (E_RNA) where: Base-Base interactions energy: -376.965 where: short stacking energy: -230.343 Base-Backbone interact. energy: -0.537 local terms energy: -484.751424 where: bonds (distance) C4'-P energy: -135.523 bonds (distance) P-C4' energy: -144.153 flat angles C4'-P-C4' energy: -127.774 flat angles P-C4'-P energy: -94.713 tors. eta vs tors. theta energy: 17.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -839.609632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.609632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.609632 (E_RNA) where: Base-Base interactions energy: -365.998 where: short stacking energy: -236.316 Base-Backbone interact. energy: 6.930 local terms energy: -480.541472 where: bonds (distance) C4'-P energy: -138.997 bonds (distance) P-C4' energy: -144.610 flat angles C4'-P-C4' energy: -125.914 flat angles P-C4'-P energy: -68.234 tors. eta vs tors. theta energy: -2.787 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: 6 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -678.325401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.325401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.325401 (E_RNA) where: Base-Base interactions energy: -278.132 where: short stacking energy: -172.596 Base-Backbone interact. energy: 0.801 local terms energy: -400.994357 where: bonds (distance) C4'-P energy: -143.975 bonds (distance) P-C4' energy: -141.049 flat angles C4'-P-C4' energy: -85.864 flat angles P-C4'-P energy: -54.007 tors. eta vs tors. theta energy: 23.900 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: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2149.578906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.578906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.578906 (E_RNA) where: Base-Base interactions energy: -1322.518 where: short stacking energy: -676.473 Base-Backbone interact. energy: -3.844 local terms energy: -823.217576 where: bonds (distance) C4'-P energy: -181.665 bonds (distance) P-C4' energy: -157.739 flat angles C4'-P-C4' energy: -185.279 flat angles P-C4'-P energy: -117.921 tors. eta vs tors. theta energy: -180.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2169.248603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.248603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.248603 (E_RNA) where: Base-Base interactions energy: -1389.046 where: short stacking energy: -663.410 Base-Backbone interact. energy: -1.783 local terms energy: -778.419748 where: bonds (distance) C4'-P energy: -146.562 bonds (distance) P-C4' energy: -158.709 flat angles C4'-P-C4' energy: -179.362 flat angles P-C4'-P energy: -122.633 tors. eta vs tors. theta energy: -171.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1923.264396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.264396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.264396 (E_RNA) where: Base-Base interactions energy: -1163.616 where: short stacking energy: -581.260 Base-Backbone interact. energy: -0.344 local terms energy: -759.304663 where: bonds (distance) C4'-P energy: -171.100 bonds (distance) P-C4' energy: -161.831 flat angles C4'-P-C4' energy: -172.206 flat angles P-C4'-P energy: -103.514 tors. eta vs tors. theta energy: -150.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1966.419737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.419737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.419737 (E_RNA) where: Base-Base interactions energy: -1254.097 where: short stacking energy: -535.304 Base-Backbone interact. energy: -0.447 local terms energy: -711.875982 where: bonds (distance) C4'-P energy: -158.830 bonds (distance) P-C4' energy: -141.177 flat angles C4'-P-C4' energy: -163.533 flat angles P-C4'-P energy: -113.535 tors. eta vs tors. theta energy: -134.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1429.791304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.791304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.791304 (E_RNA) where: Base-Base interactions energy: -793.258 where: short stacking energy: -454.207 Base-Backbone interact. energy: 2.012 local terms energy: -638.544979 where: bonds (distance) C4'-P energy: -151.167 bonds (distance) P-C4' energy: -154.441 flat angles C4'-P-C4' energy: -136.321 flat angles P-C4'-P energy: -105.261 tors. eta vs tors. theta energy: -91.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1278.226031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.226031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.226031 (E_RNA) where: Base-Base interactions energy: -681.344 where: short stacking energy: -397.903 Base-Backbone interact. energy: 2.399 local terms energy: -599.280996 where: bonds (distance) C4'-P energy: -122.813 bonds (distance) P-C4' energy: -167.699 flat angles C4'-P-C4' energy: -146.782 flat angles P-C4'-P energy: -88.006 tors. eta vs tors. theta energy: -73.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -996.622319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.622319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.622319 (E_RNA) where: Base-Base interactions energy: -511.597 where: short stacking energy: -315.119 Base-Backbone interact. energy: 3.071 local terms energy: -488.096626 where: bonds (distance) C4'-P energy: -139.220 bonds (distance) P-C4' energy: -138.975 flat angles C4'-P-C4' energy: -109.734 flat angles P-C4'-P energy: -81.595 tors. eta vs tors. theta energy: -18.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -826.219399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.219399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.219399 (E_RNA) where: Base-Base interactions energy: -342.427 where: short stacking energy: -238.390 Base-Backbone interact. energy: 1.191 local terms energy: -484.983850 where: bonds (distance) C4'-P energy: -145.822 bonds (distance) P-C4' energy: -149.711 flat angles C4'-P-C4' energy: -118.233 flat angles P-C4'-P energy: -81.103 tors. eta vs tors. theta energy: 9.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -849.268929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.268929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.268929 (E_RNA) where: Base-Base interactions energy: -365.965 where: short stacking energy: -220.268 Base-Backbone interact. energy: -2.411 local terms energy: -480.892682 where: bonds (distance) C4'-P energy: -157.632 bonds (distance) P-C4' energy: -155.406 flat angles C4'-P-C4' energy: -91.487 flat angles P-C4'-P energy: -82.011 tors. eta vs tors. theta energy: 5.643 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: 6 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -647.998874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.998874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.998874 (E_RNA) where: Base-Base interactions energy: -243.288 where: short stacking energy: -163.981 Base-Backbone interact. energy: -0.947 local terms energy: -403.764192 where: bonds (distance) C4'-P energy: -117.691 bonds (distance) P-C4' energy: -130.583 flat angles C4'-P-C4' energy: -112.481 flat angles P-C4'-P energy: -68.407 tors. eta vs tors. theta energy: 25.399 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: 1, replica: 8 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2268.497425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.497425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.497425 (E_RNA) where: Base-Base interactions energy: -1464.796 where: short stacking energy: -712.546 Base-Backbone interact. energy: -3.006 local terms energy: -800.694745 where: bonds (distance) C4'-P energy: -159.541 bonds (distance) P-C4' energy: -160.461 flat angles C4'-P-C4' energy: -174.365 flat angles P-C4'-P energy: -112.785 tors. eta vs tors. theta energy: -193.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2041.804808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.804808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.804808 (E_RNA) where: Base-Base interactions energy: -1261.664 where: short stacking energy: -669.800 Base-Backbone interact. energy: -2.429 local terms energy: -777.712065 where: bonds (distance) C4'-P energy: -159.481 bonds (distance) P-C4' energy: -163.998 flat angles C4'-P-C4' energy: -162.790 flat angles P-C4'-P energy: -117.016 tors. eta vs tors. theta energy: -174.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2112.185579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.185579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.185579 (E_RNA) where: Base-Base interactions energy: -1340.944 where: short stacking energy: -623.231 Base-Backbone interact. energy: 0.313 local terms energy: -771.554871 where: bonds (distance) C4'-P energy: -157.693 bonds (distance) P-C4' energy: -162.903 flat angles C4'-P-C4' energy: -184.445 flat angles P-C4'-P energy: -95.681 tors. eta vs tors. theta energy: -170.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1825.910484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.910484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.910484 (E_RNA) where: Base-Base interactions energy: -1110.602 where: short stacking energy: -537.065 Base-Backbone interact. energy: -2.338 local terms energy: -712.970848 where: bonds (distance) C4'-P energy: -147.865 bonds (distance) P-C4' energy: -169.985 flat angles C4'-P-C4' energy: -166.713 flat angles P-C4'-P energy: -82.002 tors. eta vs tors. theta energy: -146.406 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: 26 Temperature: 1.100000 Total energy: -1419.593091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.593091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.593091 (E_RNA) where: Base-Base interactions energy: -790.848 where: short stacking energy: -408.230 Base-Backbone interact. energy: 1.808 local terms energy: -630.553371 where: bonds (distance) C4'-P energy: -142.198 bonds (distance) P-C4' energy: -131.261 flat angles C4'-P-C4' energy: -162.782 flat angles P-C4'-P energy: -104.745 tors. eta vs tors. theta energy: -89.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1314.358790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.358790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.358790 (E_RNA) where: Base-Base interactions energy: -726.153 where: short stacking energy: -407.665 Base-Backbone interact. energy: 0.059 local terms energy: -588.264815 where: bonds (distance) C4'-P energy: -136.293 bonds (distance) P-C4' energy: -134.379 flat angles C4'-P-C4' energy: -152.869 flat angles P-C4'-P energy: -78.276 tors. eta vs tors. theta energy: -86.448 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: 1 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -913.020976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.020976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.020976 (E_RNA) where: Base-Base interactions energy: -404.315 where: short stacking energy: -253.608 Base-Backbone interact. energy: 1.191 local terms energy: -509.896981 where: bonds (distance) C4'-P energy: -137.422 bonds (distance) P-C4' energy: -151.025 flat angles C4'-P-C4' energy: -128.362 flat angles P-C4'-P energy: -81.357 tors. eta vs tors. theta energy: -11.730 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: 8, replica: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -859.755667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.755667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.755667 (E_RNA) where: Base-Base interactions energy: -435.732 where: short stacking energy: -251.935 Base-Backbone interact. energy: -1.094 local terms energy: -422.929745 where: bonds (distance) C4'-P energy: -92.845 bonds (distance) P-C4' energy: -136.958 flat angles C4'-P-C4' energy: -135.386 flat angles P-C4'-P energy: -84.174 tors. eta vs tors. theta energy: 26.434 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: 26 Temperature: 1.300000 Total energy: -805.423719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.423719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.423719 (E_RNA) where: Base-Base interactions energy: -320.018 where: short stacking energy: -210.435 Base-Backbone interact. energy: 6.627 local terms energy: -492.032995 where: bonds (distance) C4'-P energy: -132.565 bonds (distance) P-C4' energy: -149.225 flat angles C4'-P-C4' energy: -118.917 flat angles P-C4'-P energy: -94.243 tors. eta vs tors. theta energy: 2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -649.279495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.279495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.279495 (E_RNA) where: Base-Base interactions energy: -243.355 where: short stacking energy: -161.007 Base-Backbone interact. energy: 3.817 local terms energy: -409.741936 where: bonds (distance) C4'-P energy: -131.760 bonds (distance) P-C4' energy: -143.674 flat angles C4'-P-C4' energy: -105.755 flat angles P-C4'-P energy: -80.416 tors. eta vs tors. theta energy: 51.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2316.773273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.773273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.773273 (E_RNA) where: Base-Base interactions energy: -1481.193 where: short stacking energy: -725.829 Base-Backbone interact. energy: -2.511 local terms energy: -833.068884 where: bonds (distance) C4'-P energy: -169.533 bonds (distance) P-C4' energy: -173.388 flat angles C4'-P-C4' energy: -174.673 flat angles P-C4'-P energy: -106.712 tors. eta vs tors. theta energy: -208.763 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: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2270.972592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.972592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.972592 (E_RNA) where: Base-Base interactions energy: -1471.856 where: short stacking energy: -684.670 Base-Backbone interact. energy: -0.912 local terms energy: -798.203845 where: bonds (distance) C4'-P energy: -163.472 bonds (distance) P-C4' energy: -167.749 flat angles C4'-P-C4' energy: -181.314 flat angles P-C4'-P energy: -110.382 tors. eta vs tors. theta energy: -175.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1975.128160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.128160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.128160 (E_RNA) where: Base-Base interactions energy: -1208.651 where: short stacking energy: -626.598 Base-Backbone interact. energy: -1.455 local terms energy: -765.021606 where: bonds (distance) C4'-P energy: -148.758 bonds (distance) P-C4' energy: -155.781 flat angles C4'-P-C4' energy: -168.863 flat angles P-C4'-P energy: -121.918 tors. eta vs tors. theta energy: -169.703 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: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1779.657402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.657402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.657402 (E_RNA) where: Base-Base interactions energy: -1087.646 where: short stacking energy: -560.780 Base-Backbone interact. energy: -4.914 local terms energy: -687.097552 where: bonds (distance) C4'-P energy: -139.167 bonds (distance) P-C4' energy: -157.171 flat angles C4'-P-C4' energy: -172.932 flat angles P-C4'-P energy: -99.126 tors. eta vs tors. theta energy: -118.702 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: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1413.270998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.270998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.270998 (E_RNA) where: Base-Base interactions energy: -823.339 where: short stacking energy: -448.032 Base-Backbone interact. energy: 2.486 local terms energy: -592.418109 where: bonds (distance) C4'-P energy: -117.334 bonds (distance) P-C4' energy: -141.414 flat angles C4'-P-C4' energy: -150.624 flat angles P-C4'-P energy: -84.908 tors. eta vs tors. theta energy: -98.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1274.709288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.709288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.709288 (E_RNA) where: Base-Base interactions energy: -663.530 where: short stacking energy: -382.098 Base-Backbone interact. energy: 2.787 local terms energy: -613.966582 where: bonds (distance) C4'-P energy: -132.960 bonds (distance) P-C4' energy: -154.799 flat angles C4'-P-C4' energy: -142.162 flat angles P-C4'-P energy: -114.062 tors. eta vs tors. theta energy: -69.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -986.291891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.291891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.291891 (E_RNA) where: Base-Base interactions energy: -493.704 where: short stacking energy: -296.853 Base-Backbone interact. energy: 0.663 local terms energy: -493.251191 where: bonds (distance) C4'-P energy: -138.594 bonds (distance) P-C4' energy: -131.965 flat angles C4'-P-C4' energy: -136.106 flat angles P-C4'-P energy: -73.277 tors. eta vs tors. theta energy: -13.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -873.454478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.454478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.454478 (E_RNA) where: Base-Base interactions energy: -396.622 where: short stacking energy: -233.883 Base-Backbone interact. energy: -0.769 local terms energy: -476.064030 where: bonds (distance) C4'-P energy: -127.579 bonds (distance) P-C4' energy: -157.645 flat angles C4'-P-C4' energy: -127.539 flat angles P-C4'-P energy: -67.720 tors. eta vs tors. theta energy: 4.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -804.610060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.610060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.610060 (E_RNA) where: Base-Base interactions energy: -348.070 where: short stacking energy: -247.642 Base-Backbone interact. energy: 2.607 local terms energy: -459.147735 where: bonds (distance) C4'-P energy: -140.155 bonds (distance) P-C4' energy: -135.294 flat angles C4'-P-C4' energy: -108.725 flat angles P-C4'-P energy: -76.733 tors. eta vs tors. theta energy: 1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -708.428938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.428938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.428938 (E_RNA) where: Base-Base interactions energy: -261.399 where: short stacking energy: -173.751 Base-Backbone interact. energy: -2.062 local terms energy: -444.968509 where: bonds (distance) C4'-P energy: -132.592 bonds (distance) P-C4' energy: -146.080 flat angles C4'-P-C4' energy: -129.059 flat angles P-C4'-P energy: -56.143 tors. eta vs tors. theta energy: 18.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2399.886699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.886699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.886699 (E_RNA) where: Base-Base interactions energy: -1577.692 where: short stacking energy: -768.334 Base-Backbone interact. energy: -1.835 local terms energy: -820.359929 where: bonds (distance) C4'-P energy: -147.227 bonds (distance) P-C4' energy: -167.531 flat angles C4'-P-C4' energy: -171.755 flat angles P-C4'-P energy: -121.356 tors. eta vs tors. theta energy: -212.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2231.772259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.772259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.772259 (E_RNA) where: Base-Base interactions energy: -1412.706 where: short stacking energy: -689.077 Base-Backbone interact. energy: -2.957 local terms energy: -816.109187 where: bonds (distance) C4'-P energy: -153.826 bonds (distance) P-C4' energy: -163.046 flat angles C4'-P-C4' energy: -185.449 flat angles P-C4'-P energy: -123.267 tors. eta vs tors. theta energy: -190.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1926.459747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.459747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.459747 (E_RNA) where: Base-Base interactions energy: -1153.879 where: short stacking energy: -631.127 Base-Backbone interact. energy: 0.664 local terms energy: -773.244635 where: bonds (distance) C4'-P energy: -152.792 bonds (distance) P-C4' energy: -161.076 flat angles C4'-P-C4' energy: -174.280 flat angles P-C4'-P energy: -117.536 tors. eta vs tors. theta energy: -167.561 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: 7 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1720.702943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.702943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.702943 (E_RNA) where: Base-Base interactions energy: -1015.204 where: short stacking energy: -511.143 Base-Backbone interact. energy: 1.126 local terms energy: -706.625513 where: bonds (distance) C4'-P energy: -161.734 bonds (distance) P-C4' energy: -167.251 flat angles C4'-P-C4' energy: -166.989 flat angles P-C4'-P energy: -99.696 tors. eta vs tors. theta energy: -110.956 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: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1421.140523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.140523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.140523 (E_RNA) where: Base-Base interactions energy: -777.643 where: short stacking energy: -418.270 Base-Backbone interact. energy: -3.650 local terms energy: -639.847831 where: bonds (distance) C4'-P energy: -148.302 bonds (distance) P-C4' energy: -157.338 flat angles C4'-P-C4' energy: -155.244 flat angles P-C4'-P energy: -95.533 tors. eta vs tors. theta energy: -83.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1269.229772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.229772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.229772 (E_RNA) where: Base-Base interactions energy: -690.897 where: short stacking energy: -418.008 Base-Backbone interact. energy: -1.270 local terms energy: -577.062334 where: bonds (distance) C4'-P energy: -126.298 bonds (distance) P-C4' energy: -151.289 flat angles C4'-P-C4' energy: -132.747 flat angles P-C4'-P energy: -96.423 tors. eta vs tors. theta energy: -70.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1030.748474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.748474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.748474 (E_RNA) where: Base-Base interactions energy: -516.064 where: short stacking energy: -307.448 Base-Backbone interact. energy: 5.457 local terms energy: -520.142243 where: bonds (distance) C4'-P energy: -131.620 bonds (distance) P-C4' energy: -150.665 flat angles C4'-P-C4' energy: -131.984 flat angles P-C4'-P energy: -78.034 tors. eta vs tors. theta energy: -27.839 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: 8, replica: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -947.844578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.844578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.844578 (E_RNA) where: Base-Base interactions energy: -426.615 where: short stacking energy: -267.285 Base-Backbone interact. energy: 5.732 local terms energy: -526.961571 where: bonds (distance) C4'-P energy: -131.686 bonds (distance) P-C4' energy: -160.590 flat angles C4'-P-C4' energy: -115.611 flat angles P-C4'-P energy: -82.920 tors. eta vs tors. theta energy: -36.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -853.666552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.666552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.666552 (E_RNA) where: Base-Base interactions energy: -423.078 where: short stacking energy: -263.414 Base-Backbone interact. energy: 0.622 local terms energy: -431.209778 where: bonds (distance) C4'-P energy: -122.766 bonds (distance) P-C4' energy: -145.449 flat angles C4'-P-C4' energy: -110.576 flat angles P-C4'-P energy: -52.858 tors. eta vs tors. theta energy: 0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -683.673199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.673199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.673199 (E_RNA) where: Base-Base interactions energy: -282.807 where: short stacking energy: -203.987 Base-Backbone interact. energy: 3.350 local terms energy: -404.216257 where: bonds (distance) C4'-P energy: -124.357 bonds (distance) P-C4' energy: -126.288 flat angles C4'-P-C4' energy: -102.561 flat angles P-C4'-P energy: -57.098 tors. eta vs tors. theta energy: 6.089 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: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2436.485369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.485369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.485369 (E_RNA) where: Base-Base interactions energy: -1584.091 where: short stacking energy: -746.216 Base-Backbone interact. energy: -0.016 local terms energy: -852.378506 where: bonds (distance) C4'-P energy: -164.570 bonds (distance) P-C4' energy: -154.483 flat angles C4'-P-C4' energy: -182.679 flat angles P-C4'-P energy: -130.911 tors. eta vs tors. theta energy: -219.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2138.045757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.045757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.045757 (E_RNA) where: Base-Base interactions energy: -1350.668 where: short stacking energy: -680.537 Base-Backbone interact. energy: -0.211 local terms energy: -787.167026 where: bonds (distance) C4'-P energy: -148.778 bonds (distance) P-C4' energy: -166.190 flat angles C4'-P-C4' energy: -174.122 flat angles P-C4'-P energy: -108.479 tors. eta vs tors. theta energy: -189.598 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: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1917.994921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.994921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.994921 (E_RNA) where: Base-Base interactions energy: -1188.681 where: short stacking energy: -603.956 Base-Backbone interact. energy: 0.288 local terms energy: -729.601694 where: bonds (distance) C4'-P energy: -154.782 bonds (distance) P-C4' energy: -153.980 flat angles C4'-P-C4' energy: -165.089 flat angles P-C4'-P energy: -114.923 tors. eta vs tors. theta energy: -140.829 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: 4, replica: 7 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1751.287340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.287340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.287340 (E_RNA) where: Base-Base interactions energy: -1063.206 where: short stacking energy: -550.239 Base-Backbone interact. energy: -1.070 local terms energy: -687.011126 where: bonds (distance) C4'-P energy: -152.379 bonds (distance) P-C4' energy: -151.235 flat angles C4'-P-C4' energy: -152.980 flat angles P-C4'-P energy: -102.903 tors. eta vs tors. theta energy: -127.514 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: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1448.805243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.805243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.805243 (E_RNA) where: Base-Base interactions energy: -833.785 where: short stacking energy: -436.969 Base-Backbone interact. energy: -1.610 local terms energy: -613.410723 where: bonds (distance) C4'-P energy: -145.000 bonds (distance) P-C4' energy: -154.724 flat angles C4'-P-C4' energy: -138.740 flat angles P-C4'-P energy: -79.252 tors. eta vs tors. theta energy: -95.695 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: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1194.335867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.335867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.335867 (E_RNA) where: Base-Base interactions energy: -611.197 where: short stacking energy: -355.445 Base-Backbone interact. energy: 4.445 local terms energy: -587.583210 where: bonds (distance) C4'-P energy: -145.727 bonds (distance) P-C4' energy: -160.794 flat angles C4'-P-C4' energy: -149.792 flat angles P-C4'-P energy: -80.460 tors. eta vs tors. theta energy: -50.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1134.981377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.981377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.981377 (E_RNA) where: Base-Base interactions energy: -608.821 where: short stacking energy: -349.164 Base-Backbone interact. energy: 6.417 local terms energy: -532.577121 where: bonds (distance) C4'-P energy: -134.546 bonds (distance) P-C4' energy: -150.549 flat angles C4'-P-C4' energy: -130.245 flat angles P-C4'-P energy: -79.678 tors. eta vs tors. theta energy: -37.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -962.302179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.302179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.302179 (E_RNA) where: Base-Base interactions energy: -456.959 where: short stacking energy: -273.984 Base-Backbone interact. energy: -0.490 local terms energy: -504.853071 where: bonds (distance) C4'-P energy: -128.063 bonds (distance) P-C4' energy: -135.778 flat angles C4'-P-C4' energy: -120.409 flat angles P-C4'-P energy: -87.732 tors. eta vs tors. theta energy: -32.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -899.072216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.072216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.072216 (E_RNA) where: Base-Base interactions energy: -427.110 where: short stacking energy: -237.598 Base-Backbone interact. energy: -0.904 local terms energy: -471.058147 where: bonds (distance) C4'-P energy: -107.788 bonds (distance) P-C4' energy: -163.380 flat angles C4'-P-C4' energy: -128.380 flat angles P-C4'-P energy: -80.028 tors. eta vs tors. theta energy: 8.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -714.900843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.900843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.900843 (E_RNA) where: Base-Base interactions energy: -312.177 where: short stacking energy: -198.296 Base-Backbone interact. energy: -0.185 local terms energy: -402.539454 where: bonds (distance) C4'-P energy: -120.915 bonds (distance) P-C4' energy: -131.093 flat angles C4'-P-C4' energy: -107.938 flat angles P-C4'-P energy: -62.402 tors. eta vs tors. theta energy: 19.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2452.169540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.169540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.169540 (E_RNA) where: Base-Base interactions energy: -1616.009 where: short stacking energy: -728.973 Base-Backbone interact. energy: -1.384 local terms energy: -834.775757 where: bonds (distance) C4'-P energy: -156.265 bonds (distance) P-C4' energy: -178.143 flat angles C4'-P-C4' energy: -171.878 flat angles P-C4'-P energy: -127.642 tors. eta vs tors. theta energy: -200.848 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: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2173.481408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.481408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.481408 (E_RNA) where: Base-Base interactions energy: -1374.172 where: short stacking energy: -694.736 Base-Backbone interact. energy: -3.743 local terms energy: -795.566319 where: bonds (distance) C4'-P energy: -161.389 bonds (distance) P-C4' energy: -158.299 flat angles C4'-P-C4' energy: -173.726 flat angles P-C4'-P energy: -117.334 tors. eta vs tors. theta energy: -184.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1941.815003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.815003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.815003 (E_RNA) where: Base-Base interactions energy: -1218.918 where: short stacking energy: -584.179 Base-Backbone interact. energy: 1.754 local terms energy: -724.650573 where: bonds (distance) C4'-P energy: -145.689 bonds (distance) P-C4' energy: -166.975 flat angles C4'-P-C4' energy: -171.371 flat angles P-C4'-P energy: -101.316 tors. eta vs tors. theta energy: -139.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1774.885436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.885436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.885436 (E_RNA) where: Base-Base interactions energy: -1094.671 where: short stacking energy: -504.082 Base-Backbone interact. energy: 3.368 local terms energy: -683.582488 where: bonds (distance) C4'-P energy: -155.827 bonds (distance) P-C4' energy: -153.263 flat angles C4'-P-C4' energy: -167.089 flat angles P-C4'-P energy: -102.728 tors. eta vs tors. theta energy: -104.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1474.632603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.632603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.632603 (E_RNA) where: Base-Base interactions energy: -825.580 where: short stacking energy: -465.871 Base-Backbone interact. energy: -2.010 local terms energy: -647.042923 where: bonds (distance) C4'-P energy: -139.861 bonds (distance) P-C4' energy: -141.348 flat angles C4'-P-C4' energy: -159.512 flat angles P-C4'-P energy: -106.681 tors. eta vs tors. theta energy: -99.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1192.650287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.650287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.650287 (E_RNA) where: Base-Base interactions energy: -615.184 where: short stacking energy: -381.727 Base-Backbone interact. energy: -0.992 local terms energy: -576.474701 where: bonds (distance) C4'-P energy: -147.434 bonds (distance) P-C4' energy: -150.051 flat angles C4'-P-C4' energy: -154.616 flat angles P-C4'-P energy: -67.747 tors. eta vs tors. theta energy: -56.627 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: 7, replica: 9 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1177.320110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.320110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.320110 (E_RNA) where: Base-Base interactions energy: -616.181 where: short stacking energy: -321.454 Base-Backbone interact. energy: -0.520 local terms energy: -560.619016 where: bonds (distance) C4'-P energy: -139.954 bonds (distance) P-C4' energy: -158.759 flat angles C4'-P-C4' energy: -130.734 flat angles P-C4'-P energy: -71.431 tors. eta vs tors. theta energy: -59.741 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: 30 Temperature: 1.250000 Total energy: -938.905610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.905610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.905610 (E_RNA) where: Base-Base interactions energy: -435.885 where: short stacking energy: -256.714 Base-Backbone interact. energy: 0.322 local terms energy: -503.343027 where: bonds (distance) C4'-P energy: -124.846 bonds (distance) P-C4' energy: -140.425 flat angles C4'-P-C4' energy: -139.664 flat angles P-C4'-P energy: -90.314 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: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -950.852610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.852610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.852610 (E_RNA) where: Base-Base interactions energy: -503.541 where: short stacking energy: -242.604 Base-Backbone interact. energy: 6.757 local terms energy: -454.067921 where: bonds (distance) C4'-P energy: -139.522 bonds (distance) P-C4' energy: -142.669 flat angles C4'-P-C4' energy: -111.637 flat angles P-C4'-P energy: -56.836 tors. eta vs tors. theta energy: -3.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -688.542166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.542166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.542166 (E_RNA) where: Base-Base interactions energy: -258.170 where: short stacking energy: -184.050 Base-Backbone interact. energy: -1.979 local terms energy: -428.393209 where: bonds (distance) C4'-P energy: -147.871 bonds (distance) P-C4' energy: -144.722 flat angles C4'-P-C4' energy: -102.547 flat angles P-C4'-P energy: -45.894 tors. eta vs tors. theta energy: 12.642 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: 1, replica: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2482.917569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.917569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.917569 (E_RNA) where: Base-Base interactions energy: -1643.899 where: short stacking energy: -728.603 Base-Backbone interact. energy: -1.116 local terms energy: -837.903391 where: bonds (distance) C4'-P energy: -152.420 bonds (distance) P-C4' energy: -174.731 flat angles C4'-P-C4' energy: -193.788 flat angles P-C4'-P energy: -113.798 tors. eta vs tors. theta energy: -203.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2237.578878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.578878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.578878 (E_RNA) where: Base-Base interactions energy: -1451.424 where: short stacking energy: -730.613 Base-Backbone interact. energy: -2.436 local terms energy: -783.718669 where: bonds (distance) C4'-P energy: -153.495 bonds (distance) P-C4' energy: -126.759 flat angles C4'-P-C4' energy: -189.206 flat angles P-C4'-P energy: -110.774 tors. eta vs tors. theta energy: -203.485 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: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1876.464344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.464344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.464344 (E_RNA) where: Base-Base interactions energy: -1153.064 where: short stacking energy: -592.496 Base-Backbone interact. energy: -2.343 local terms energy: -721.057770 where: bonds (distance) C4'-P energy: -162.287 bonds (distance) P-C4' energy: -151.075 flat angles C4'-P-C4' energy: -172.343 flat angles P-C4'-P energy: -94.051 tors. eta vs tors. theta energy: -141.303 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: 7 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1816.104486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.104486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.104486 (E_RNA) where: Base-Base interactions energy: -1133.357 where: short stacking energy: -524.786 Base-Backbone interact. energy: -5.125 local terms energy: -677.623058 where: bonds (distance) C4'-P energy: -145.156 bonds (distance) P-C4' energy: -155.115 flat angles C4'-P-C4' energy: -147.875 flat angles P-C4'-P energy: -93.360 tors. eta vs tors. theta energy: -136.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1454.219673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.219673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.219673 (E_RNA) where: Base-Base interactions energy: -818.684 where: short stacking energy: -490.445 Base-Backbone interact. energy: -1.004 local terms energy: -634.531760 where: bonds (distance) C4'-P energy: -137.841 bonds (distance) P-C4' energy: -153.022 flat angles C4'-P-C4' energy: -151.777 flat angles P-C4'-P energy: -87.093 tors. eta vs tors. theta energy: -104.799 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: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1289.891709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.891709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.891709 (E_RNA) where: Base-Base interactions energy: -700.296 where: short stacking energy: -370.523 Base-Backbone interact. energy: -1.482 local terms energy: -588.113592 where: bonds (distance) C4'-P energy: -151.020 bonds (distance) P-C4' energy: -135.503 flat angles C4'-P-C4' energy: -130.106 flat angles P-C4'-P energy: -100.666 tors. eta vs tors. theta energy: -70.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1156.424752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.424752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.424752 (E_RNA) where: Base-Base interactions energy: -630.294 where: short stacking energy: -339.642 Base-Backbone interact. energy: -0.331 local terms energy: -525.800197 where: bonds (distance) C4'-P energy: -141.402 bonds (distance) P-C4' energy: -136.851 flat angles C4'-P-C4' energy: -132.036 flat angles P-C4'-P energy: -91.900 tors. eta vs tors. theta energy: -23.611 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: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1087.670370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.670370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.670370 (E_RNA) where: Base-Base interactions energy: -590.432 where: short stacking energy: -294.821 Base-Backbone interact. energy: -1.361 local terms energy: -495.878238 where: bonds (distance) C4'-P energy: -126.979 bonds (distance) P-C4' energy: -150.182 flat angles C4'-P-C4' energy: -110.741 flat angles P-C4'-P energy: -84.183 tors. eta vs tors. theta energy: -23.793 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: 1 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -944.536464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.536464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.536464 (E_RNA) where: Base-Base interactions energy: -452.508 where: short stacking energy: -258.422 Base-Backbone interact. energy: 1.911 local terms energy: -493.938790 where: bonds (distance) C4'-P energy: -129.858 bonds (distance) P-C4' energy: -160.638 flat angles C4'-P-C4' energy: -132.123 flat angles P-C4'-P energy: -58.069 tors. eta vs tors. theta energy: -13.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -713.297155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.297155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.297155 (E_RNA) where: Base-Base interactions energy: -287.169 where: short stacking energy: -182.484 Base-Backbone interact. energy: 3.159 local terms energy: -429.287565 where: bonds (distance) C4'-P energy: -132.952 bonds (distance) P-C4' energy: -123.592 flat angles C4'-P-C4' energy: -121.533 flat angles P-C4'-P energy: -72.530 tors. eta vs tors. theta energy: 21.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2423.462040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.462040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.462040 (E_RNA) where: Base-Base interactions energy: -1618.212 where: short stacking energy: -746.093 Base-Backbone interact. energy: 0.342 local terms energy: -805.592344 where: bonds (distance) C4'-P energy: -142.090 bonds (distance) P-C4' energy: -173.874 flat angles C4'-P-C4' energy: -178.876 flat angles P-C4'-P energy: -118.201 tors. eta vs tors. theta energy: -192.551 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: 32 Temperature: 0.950000 Total energy: -2198.773407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.773407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.773407 (E_RNA) where: Base-Base interactions energy: -1412.662 where: short stacking energy: -666.577 Base-Backbone interact. energy: -3.047 local terms energy: -783.064877 where: bonds (distance) C4'-P energy: -163.085 bonds (distance) P-C4' energy: -157.147 flat angles C4'-P-C4' energy: -183.605 flat angles P-C4'-P energy: -96.048 tors. eta vs tors. theta energy: -183.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1888.916246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.916246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.916246 (E_RNA) where: Base-Base interactions energy: -1152.924 where: short stacking energy: -609.255 Base-Backbone interact. energy: -3.656 local terms energy: -732.336451 where: bonds (distance) C4'-P energy: -170.590 bonds (distance) P-C4' energy: -153.331 flat angles C4'-P-C4' energy: -167.222 flat angles P-C4'-P energy: -96.657 tors. eta vs tors. theta energy: -144.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1875.288372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.288372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.288372 (E_RNA) where: Base-Base interactions energy: -1161.310 where: short stacking energy: -530.131 Base-Backbone interact. energy: -7.672 local terms energy: -706.306514 where: bonds (distance) C4'-P energy: -160.765 bonds (distance) P-C4' energy: -147.026 flat angles C4'-P-C4' energy: -157.164 flat angles P-C4'-P energy: -101.660 tors. eta vs tors. theta energy: -139.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1491.701307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.701307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.701307 (E_RNA) where: Base-Base interactions energy: -843.884 where: short stacking energy: -466.442 Base-Backbone interact. energy: 2.160 local terms energy: -649.977139 where: bonds (distance) C4'-P energy: -161.902 bonds (distance) P-C4' energy: -147.061 flat angles C4'-P-C4' energy: -162.106 flat angles P-C4'-P energy: -91.888 tors. eta vs tors. theta energy: -87.021 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: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1332.691127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.691127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.691127 (E_RNA) where: Base-Base interactions energy: -757.482 where: short stacking energy: -410.278 Base-Backbone interact. energy: -4.594 local terms energy: -570.615160 where: bonds (distance) C4'-P energy: -153.195 bonds (distance) P-C4' energy: -150.097 flat angles C4'-P-C4' energy: -112.688 flat angles P-C4'-P energy: -83.155 tors. eta vs tors. theta energy: -71.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1088.925167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.925167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.925167 (E_RNA) where: Base-Base interactions energy: -602.220 where: short stacking energy: -334.307 Base-Backbone interact. energy: 0.778 local terms energy: -487.482877 where: bonds (distance) C4'-P energy: -121.762 bonds (distance) P-C4' energy: -125.920 flat angles C4'-P-C4' energy: -110.366 flat angles P-C4'-P energy: -82.751 tors. eta vs tors. theta energy: -46.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1091.013218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.013218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.013218 (E_RNA) where: Base-Base interactions energy: -580.261 where: short stacking energy: -291.808 Base-Backbone interact. energy: 0.840 local terms energy: -511.592376 where: bonds (distance) C4'-P energy: -143.158 bonds (distance) P-C4' energy: -139.611 flat angles C4'-P-C4' energy: -136.283 flat angles P-C4'-P energy: -79.262 tors. eta vs tors. theta energy: -13.277 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: 32 Temperature: 1.300000 Total energy: -906.349438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.349438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.349438 (E_RNA) where: Base-Base interactions energy: -451.004 where: short stacking energy: -259.588 Base-Backbone interact. energy: 0.563 local terms energy: -455.908704 where: bonds (distance) C4'-P energy: -114.858 bonds (distance) P-C4' energy: -156.406 flat angles C4'-P-C4' energy: -120.464 flat angles P-C4'-P energy: -55.660 tors. eta vs tors. theta energy: -8.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -733.444975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.444975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.444975 (E_RNA) where: Base-Base interactions energy: -309.285 where: short stacking energy: -209.289 Base-Backbone interact. energy: 8.588 local terms energy: -432.748465 where: bonds (distance) C4'-P energy: -137.112 bonds (distance) P-C4' energy: -141.964 flat angles C4'-P-C4' energy: -99.338 flat angles P-C4'-P energy: -80.129 tors. eta vs tors. theta energy: 25.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2466.412464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.412464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.412464 (E_RNA) where: Base-Base interactions energy: -1643.075 where: short stacking energy: -744.879 Base-Backbone interact. energy: -3.610 local terms energy: -819.727569 where: bonds (distance) C4'-P energy: -142.946 bonds (distance) P-C4' energy: -166.390 flat angles C4'-P-C4' energy: -198.645 flat angles P-C4'-P energy: -117.870 tors. eta vs tors. theta energy: -193.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2265.164861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.164861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.164861 (E_RNA) where: Base-Base interactions energy: -1476.652 where: short stacking energy: -664.048 Base-Backbone interact. energy: -2.326 local terms energy: -786.187463 where: bonds (distance) C4'-P energy: -160.474 bonds (distance) P-C4' energy: -153.294 flat angles C4'-P-C4' energy: -176.071 flat angles P-C4'-P energy: -116.136 tors. eta vs tors. theta energy: -180.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1918.404275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.404275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.404275 (E_RNA) where: Base-Base interactions energy: -1202.987 where: short stacking energy: -564.666 Base-Backbone interact. energy: -1.930 local terms energy: -713.487335 where: bonds (distance) C4'-P energy: -156.868 bonds (distance) P-C4' energy: -169.025 flat angles C4'-P-C4' energy: -151.610 flat angles P-C4'-P energy: -102.541 tors. eta vs tors. theta energy: -133.443 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: 7 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1892.942076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.942076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.942076 (E_RNA) where: Base-Base interactions energy: -1167.538 where: short stacking energy: -557.097 Base-Backbone interact. energy: -2.006 local terms energy: -723.397855 where: bonds (distance) C4'-P energy: -154.990 bonds (distance) P-C4' energy: -166.556 flat angles C4'-P-C4' energy: -152.392 flat angles P-C4'-P energy: -108.429 tors. eta vs tors. theta energy: -141.031 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: 33 Temperature: 1.100000 Total energy: -1476.364768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.364768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.364768 (E_RNA) where: Base-Base interactions energy: -806.778 where: short stacking energy: -445.805 Base-Backbone interact. energy: -0.285 local terms energy: -669.301726 where: bonds (distance) C4'-P energy: -146.002 bonds (distance) P-C4' energy: -146.271 flat angles C4'-P-C4' energy: -163.550 flat angles P-C4'-P energy: -101.688 tors. eta vs tors. theta energy: -111.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1273.848163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.848163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.848163 (E_RNA) where: Base-Base interactions energy: -731.157 where: short stacking energy: -347.393 Base-Backbone interact. energy: 2.044 local terms energy: -544.735077 where: bonds (distance) C4'-P energy: -136.724 bonds (distance) P-C4' energy: -145.461 flat angles C4'-P-C4' energy: -121.993 flat angles P-C4'-P energy: -84.407 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: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1162.521009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.521009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.521009 (E_RNA) where: Base-Base interactions energy: -616.444 where: short stacking energy: -348.618 Base-Backbone interact. energy: 2.796 local terms energy: -548.873659 where: bonds (distance) C4'-P energy: -131.458 bonds (distance) P-C4' energy: -153.278 flat angles C4'-P-C4' energy: -124.465 flat angles P-C4'-P energy: -82.662 tors. eta vs tors. theta energy: -57.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1109.874880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.874880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.874880 (E_RNA) where: Base-Base interactions energy: -626.735 where: short stacking energy: -309.786 Base-Backbone interact. energy: 2.426 local terms energy: -485.566765 where: bonds (distance) C4'-P energy: -143.748 bonds (distance) P-C4' energy: -137.359 flat angles C4'-P-C4' energy: -98.303 flat angles P-C4'-P energy: -71.663 tors. eta vs tors. theta energy: -34.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -859.828187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.828187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.828187 (E_RNA) where: Base-Base interactions energy: -375.078 where: short stacking energy: -238.290 Base-Backbone interact. energy: 1.196 local terms energy: -485.945812 where: bonds (distance) C4'-P energy: -137.044 bonds (distance) P-C4' energy: -140.196 flat angles C4'-P-C4' energy: -139.917 flat angles P-C4'-P energy: -72.944 tors. eta vs tors. theta energy: 4.155 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: 6 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -685.618962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.618962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.618962 (E_RNA) where: Base-Base interactions energy: -253.989 where: short stacking energy: -185.135 Base-Backbone interact. energy: 3.713 local terms energy: -435.343069 where: bonds (distance) C4'-P energy: -145.723 bonds (distance) P-C4' energy: -138.125 flat angles C4'-P-C4' energy: -112.074 flat angles P-C4'-P energy: -63.895 tors. eta vs tors. theta energy: 24.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2447.414790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.414790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.414790 (E_RNA) where: Base-Base interactions energy: -1607.954 where: short stacking energy: -737.855 Base-Backbone interact. energy: -0.270 local terms energy: -839.189879 where: bonds (distance) C4'-P energy: -155.527 bonds (distance) P-C4' energy: -183.959 flat angles C4'-P-C4' energy: -181.618 flat angles P-C4'-P energy: -117.163 tors. eta vs tors. theta energy: -200.923 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: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2256.438723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.438723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.438723 (E_RNA) where: Base-Base interactions energy: -1489.884 where: short stacking energy: -658.992 Base-Backbone interact. energy: 3.482 local terms energy: -770.036374 where: bonds (distance) C4'-P energy: -138.655 bonds (distance) P-C4' energy: -149.520 flat angles C4'-P-C4' energy: -182.027 flat angles P-C4'-P energy: -122.534 tors. eta vs tors. theta energy: -177.301 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: 34 Temperature: 1.000000 Total energy: -1968.616816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.616816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.616816 (E_RNA) where: Base-Base interactions energy: -1250.837 where: short stacking energy: -601.229 Base-Backbone interact. energy: 0.404 local terms energy: -718.183570 where: bonds (distance) C4'-P energy: -152.839 bonds (distance) P-C4' energy: -156.753 flat angles C4'-P-C4' energy: -162.244 flat angles P-C4'-P energy: -103.545 tors. eta vs tors. theta energy: -142.802 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: 34 Temperature: 1.050000 Total energy: -1942.017725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.017725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.017725 (E_RNA) where: Base-Base interactions energy: -1238.862 where: short stacking energy: -606.976 Base-Backbone interact. energy: 7.187 local terms energy: -710.342769 where: bonds (distance) C4'-P energy: -142.140 bonds (distance) P-C4' energy: -145.751 flat angles C4'-P-C4' energy: -169.314 flat angles P-C4'-P energy: -103.135 tors. eta vs tors. theta energy: -150.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1426.232758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.232758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.232758 (E_RNA) where: Base-Base interactions energy: -762.771 where: short stacking energy: -414.494 Base-Backbone interact. energy: -2.135 local terms energy: -661.326564 where: bonds (distance) C4'-P energy: -150.675 bonds (distance) P-C4' energy: -146.763 flat angles C4'-P-C4' energy: -160.274 flat angles P-C4'-P energy: -101.523 tors. eta vs tors. theta energy: -102.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1299.709907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.709907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.709907 (E_RNA) where: Base-Base interactions energy: -745.175 where: short stacking energy: -400.351 Base-Backbone interact. energy: 1.325 local terms energy: -555.859900 where: bonds (distance) C4'-P energy: -146.380 bonds (distance) P-C4' energy: -141.950 flat angles C4'-P-C4' energy: -119.052 flat angles P-C4'-P energy: -92.317 tors. eta vs tors. theta energy: -56.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1284.003138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.003138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.003138 (E_RNA) where: Base-Base interactions energy: -719.143 where: short stacking energy: -398.096 Base-Backbone interact. energy: 2.064 local terms energy: -566.924275 where: bonds (distance) C4'-P energy: -134.539 bonds (distance) P-C4' energy: -154.603 flat angles C4'-P-C4' energy: -156.317 flat angles P-C4'-P energy: -68.435 tors. eta vs tors. theta energy: -53.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1043.024843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.024843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.024843 (E_RNA) where: Base-Base interactions energy: -558.571 where: short stacking energy: -320.823 Base-Backbone interact. energy: 10.552 local terms energy: -495.005839 where: bonds (distance) C4'-P energy: -135.359 bonds (distance) P-C4' energy: -138.946 flat angles C4'-P-C4' energy: -126.113 flat angles P-C4'-P energy: -71.743 tors. eta vs tors. theta energy: -22.844 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: 9, replica: 1 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -892.494495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.494495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.494495 (E_RNA) where: Base-Base interactions energy: -426.270 where: short stacking energy: -273.478 Base-Backbone interact. energy: 3.484 local terms energy: -469.708277 where: bonds (distance) C4'-P energy: -132.630 bonds (distance) P-C4' energy: -129.737 flat angles C4'-P-C4' energy: -122.161 flat angles P-C4'-P energy: -81.230 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -684.143035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.143035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.143035 (E_RNA) where: Base-Base interactions energy: -311.090 where: short stacking energy: -203.860 Base-Backbone interact. energy: 2.184 local terms energy: -375.236768 where: bonds (distance) C4'-P energy: -143.415 bonds (distance) P-C4' energy: -127.884 flat angles C4'-P-C4' energy: -103.554 flat angles P-C4'-P energy: -42.407 tors. eta vs tors. theta energy: 42.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2497.805699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.805699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.805699 (E_RNA) where: Base-Base interactions energy: -1655.340 where: short stacking energy: -763.650 Base-Backbone interact. energy: -2.840 local terms energy: -839.625493 where: bonds (distance) C4'-P energy: -157.523 bonds (distance) P-C4' energy: -156.602 flat angles C4'-P-C4' energy: -189.076 flat angles P-C4'-P energy: -129.328 tors. eta vs tors. theta energy: -207.096 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: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2276.510012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.510012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.510012 (E_RNA) where: Base-Base interactions energy: -1508.819 where: short stacking energy: -667.170 Base-Backbone interact. energy: -2.317 local terms energy: -765.374516 where: bonds (distance) C4'-P energy: -133.783 bonds (distance) P-C4' energy: -150.278 flat angles C4'-P-C4' energy: -173.426 flat angles P-C4'-P energy: -125.729 tors. eta vs tors. theta energy: -182.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1971.503663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.503663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.503663 (E_RNA) where: Base-Base interactions energy: -1241.158 where: short stacking energy: -570.956 Base-Backbone interact. energy: -0.869 local terms energy: -729.476355 where: bonds (distance) C4'-P energy: -155.732 bonds (distance) P-C4' energy: -165.733 flat angles C4'-P-C4' energy: -164.536 flat angles P-C4'-P energy: -107.234 tors. eta vs tors. theta energy: -136.241 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: 7 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1983.434080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.434080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.434080 (E_RNA) where: Base-Base interactions energy: -1257.764 where: short stacking energy: -558.964 Base-Backbone interact. energy: 0.371 local terms energy: -726.041525 where: bonds (distance) C4'-P energy: -153.587 bonds (distance) P-C4' energy: -158.083 flat angles C4'-P-C4' energy: -157.265 flat angles P-C4'-P energy: -119.129 tors. eta vs tors. theta energy: -137.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1451.991251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.991251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.991251 (E_RNA) where: Base-Base interactions energy: -786.144 where: short stacking energy: -454.523 Base-Backbone interact. energy: 4.497 local terms energy: -670.344533 where: bonds (distance) C4'-P energy: -146.005 bonds (distance) P-C4' energy: -160.158 flat angles C4'-P-C4' energy: -156.999 flat angles P-C4'-P energy: -101.792 tors. eta vs tors. theta energy: -105.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1322.961014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.961014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.961014 (E_RNA) where: Base-Base interactions energy: -716.578 where: short stacking energy: -400.509 Base-Backbone interact. energy: 0.076 local terms energy: -606.458939 where: bonds (distance) C4'-P energy: -160.847 bonds (distance) P-C4' energy: -137.280 flat angles C4'-P-C4' energy: -155.000 flat angles P-C4'-P energy: -86.761 tors. eta vs tors. theta energy: -66.572 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: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1211.124781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.124781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.124781 (E_RNA) where: Base-Base interactions energy: -669.947 where: short stacking energy: -335.756 Base-Backbone interact. energy: -0.006 local terms energy: -541.171174 where: bonds (distance) C4'-P energy: -123.739 bonds (distance) P-C4' energy: -159.691 flat angles C4'-P-C4' energy: -136.946 flat angles P-C4'-P energy: -87.316 tors. eta vs tors. theta energy: -33.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1019.297370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.297370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.297370 (E_RNA) where: Base-Base interactions energy: -507.176 where: short stacking energy: -274.735 Base-Backbone interact. energy: 3.320 local terms energy: -515.441138 where: bonds (distance) C4'-P energy: -134.026 bonds (distance) P-C4' energy: -165.047 flat angles C4'-P-C4' energy: -124.991 flat angles P-C4'-P energy: -84.492 tors. eta vs tors. theta energy: -6.885 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: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -873.722275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.722275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.722275 (E_RNA) where: Base-Base interactions energy: -400.818 where: short stacking energy: -238.515 Base-Backbone interact. energy: 4.494 local terms energy: -477.398351 where: bonds (distance) C4'-P energy: -137.738 bonds (distance) P-C4' energy: -138.387 flat angles C4'-P-C4' energy: -137.705 flat angles P-C4'-P energy: -80.719 tors. eta vs tors. theta energy: 17.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -694.924432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.924432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.924432 (E_RNA) where: Base-Base interactions energy: -282.414 where: short stacking energy: -184.808 Base-Backbone interact. energy: 1.320 local terms energy: -413.830316 where: bonds (distance) C4'-P energy: -136.716 bonds (distance) P-C4' energy: -132.963 flat angles C4'-P-C4' energy: -113.578 flat angles P-C4'-P energy: -61.564 tors. eta vs tors. theta energy: 30.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2470.853039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.853039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.853039 (E_RNA) where: Base-Base interactions energy: -1658.452 where: short stacking energy: -767.219 Base-Backbone interact. energy: -2.904 local terms energy: -809.497762 where: bonds (distance) C4'-P energy: -161.474 bonds (distance) P-C4' energy: -159.575 flat angles C4'-P-C4' energy: -173.268 flat angles P-C4'-P energy: -115.978 tors. eta vs tors. theta energy: -199.202 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: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2334.069613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.069613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.069613 (E_RNA) where: Base-Base interactions energy: -1512.144 where: short stacking energy: -685.466 Base-Backbone interact. energy: -1.648 local terms energy: -820.278247 where: bonds (distance) C4'-P energy: -166.368 bonds (distance) P-C4' energy: -156.113 flat angles C4'-P-C4' energy: -184.984 flat angles P-C4'-P energy: -118.840 tors. eta vs tors. theta energy: -193.973 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: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2077.917475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.917475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.917475 (E_RNA) where: Base-Base interactions energy: -1318.391 where: short stacking energy: -600.632 Base-Backbone interact. energy: -2.879 local terms energy: -756.646812 where: bonds (distance) C4'-P energy: -162.480 bonds (distance) P-C4' energy: -157.430 flat angles C4'-P-C4' energy: -176.790 flat angles P-C4'-P energy: -114.762 tors. eta vs tors. theta energy: -145.185 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: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1888.512235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.512235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.512235 (E_RNA) where: Base-Base interactions energy: -1195.741 where: short stacking energy: -542.757 Base-Backbone interact. energy: -1.771 local terms energy: -691.000658 where: bonds (distance) C4'-P energy: -161.570 bonds (distance) P-C4' energy: -146.815 flat angles C4'-P-C4' energy: -150.641 flat angles P-C4'-P energy: -100.583 tors. eta vs tors. theta energy: -131.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1402.468058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.468058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.468058 (E_RNA) where: Base-Base interactions energy: -743.326 where: short stacking energy: -442.143 Base-Backbone interact. energy: 2.731 local terms energy: -661.872962 where: bonds (distance) C4'-P energy: -144.888 bonds (distance) P-C4' energy: -167.122 flat angles C4'-P-C4' energy: -151.951 flat angles P-C4'-P energy: -98.641 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: 6, replica: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1342.504914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.504914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.504914 (E_RNA) where: Base-Base interactions energy: -786.934 where: short stacking energy: -428.825 Base-Backbone interact. energy: 0.964 local terms energy: -556.534570 where: bonds (distance) C4'-P energy: -132.851 bonds (distance) P-C4' energy: -132.589 flat angles C4'-P-C4' energy: -126.945 flat angles P-C4'-P energy: -83.547 tors. eta vs tors. theta energy: -80.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1265.970982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.970982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.970982 (E_RNA) where: Base-Base interactions energy: -735.039 where: short stacking energy: -379.376 Base-Backbone interact. energy: 1.385 local terms energy: -532.317301 where: bonds (distance) C4'-P energy: -124.048 bonds (distance) P-C4' energy: -148.681 flat angles C4'-P-C4' energy: -119.103 flat angles P-C4'-P energy: -79.910 tors. eta vs tors. theta energy: -60.576 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: 8, replica: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1010.827055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.827055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.827055 (E_RNA) where: Base-Base interactions energy: -536.573 where: short stacking energy: -277.279 Base-Backbone interact. energy: -3.590 local terms energy: -470.664127 where: bonds (distance) C4'-P energy: -129.408 bonds (distance) P-C4' energy: -132.591 flat angles C4'-P-C4' energy: -135.028 flat angles P-C4'-P energy: -69.067 tors. eta vs tors. theta energy: -4.570 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: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -880.048342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.048342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.048342 (E_RNA) where: Base-Base interactions energy: -429.610 where: short stacking energy: -258.752 Base-Backbone interact. energy: 10.365 local terms energy: -460.803207 where: bonds (distance) C4'-P energy: -150.601 bonds (distance) P-C4' energy: -128.474 flat angles C4'-P-C4' energy: -102.823 flat angles P-C4'-P energy: -79.243 tors. eta vs tors. theta energy: 0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -699.658462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.658462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.658462 (E_RNA) where: Base-Base interactions energy: -295.475 where: short stacking energy: -192.903 Base-Backbone interact. energy: 3.708 local terms energy: -407.891747 where: bonds (distance) C4'-P energy: -133.731 bonds (distance) P-C4' energy: -141.632 flat angles C4'-P-C4' energy: -111.876 flat angles P-C4'-P energy: -59.465 tors. eta vs tors. theta energy: 38.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2470.656467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.656467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.656467 (E_RNA) where: Base-Base interactions energy: -1633.052 where: short stacking energy: -767.270 Base-Backbone interact. energy: -3.352 local terms energy: -834.252299 where: bonds (distance) C4'-P energy: -149.525 bonds (distance) P-C4' energy: -166.074 flat angles C4'-P-C4' energy: -188.945 flat angles P-C4'-P energy: -121.703 tors. eta vs tors. theta energy: -208.004 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: 2, replica: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2319.109010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.109010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.109010 (E_RNA) where: Base-Base interactions energy: -1543.823 where: short stacking energy: -684.589 Base-Backbone interact. energy: -6.712 local terms energy: -768.573199 where: bonds (distance) C4'-P energy: -168.709 bonds (distance) P-C4' energy: -145.420 flat angles C4'-P-C4' energy: -183.959 flat angles P-C4'-P energy: -91.672 tors. eta vs tors. theta energy: -178.813 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: 37 Temperature: 1.000000 Total energy: -2067.248461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.248461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.248461 (E_RNA) where: Base-Base interactions energy: -1333.213 where: short stacking energy: -614.608 Base-Backbone interact. energy: -3.532 local terms energy: -730.503047 where: bonds (distance) C4'-P energy: -154.592 bonds (distance) P-C4' energy: -154.229 flat angles C4'-P-C4' energy: -167.225 flat angles P-C4'-P energy: -116.493 tors. eta vs tors. theta energy: -137.964 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: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1918.677118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.677118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.677118 (E_RNA) where: Base-Base interactions energy: -1213.790 where: short stacking energy: -578.295 Base-Backbone interact. energy: -6.457 local terms energy: -698.429645 where: bonds (distance) C4'-P energy: -135.845 bonds (distance) P-C4' energy: -172.742 flat angles C4'-P-C4' energy: -157.572 flat angles P-C4'-P energy: -94.889 tors. eta vs tors. theta energy: -137.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1350.189041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.189041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.189041 (E_RNA) where: Base-Base interactions energy: -750.377 where: short stacking energy: -402.693 Base-Backbone interact. energy: 0.040 local terms energy: -599.852295 where: bonds (distance) C4'-P energy: -150.008 bonds (distance) P-C4' energy: -152.409 flat angles C4'-P-C4' energy: -144.677 flat angles P-C4'-P energy: -68.363 tors. eta vs tors. theta energy: -84.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1401.848369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.848369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.848369 (E_RNA) where: Base-Base interactions energy: -798.843 where: short stacking energy: -439.269 Base-Backbone interact. energy: 2.698 local terms energy: -605.703472 where: bonds (distance) C4'-P energy: -147.478 bonds (distance) P-C4' energy: -152.726 flat angles C4'-P-C4' energy: -150.801 flat angles P-C4'-P energy: -82.753 tors. eta vs tors. theta energy: -71.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1277.004293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.004293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.004293 (E_RNA) where: Base-Base interactions energy: -726.776 where: short stacking energy: -378.801 Base-Backbone interact. energy: -1.774 local terms energy: -548.454135 where: bonds (distance) C4'-P energy: -140.558 bonds (distance) P-C4' energy: -130.565 flat angles C4'-P-C4' energy: -125.431 flat angles P-C4'-P energy: -98.177 tors. eta vs tors. theta energy: -53.723 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: 9 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1102.298168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.298168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.298168 (E_RNA) where: Base-Base interactions energy: -606.222 where: short stacking energy: -327.120 Base-Backbone interact. energy: -1.758 local terms energy: -494.318533 where: bonds (distance) C4'-P energy: -131.520 bonds (distance) P-C4' energy: -138.368 flat angles C4'-P-C4' energy: -131.750 flat angles P-C4'-P energy: -70.461 tors. eta vs tors. theta energy: -22.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -910.326775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.326775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.326775 (E_RNA) where: Base-Base interactions energy: -430.168 where: short stacking energy: -266.200 Base-Backbone interact. energy: -2.667 local terms energy: -477.491981 where: bonds (distance) C4'-P energy: -139.769 bonds (distance) P-C4' energy: -124.395 flat angles C4'-P-C4' energy: -127.643 flat angles P-C4'-P energy: -62.122 tors. eta vs tors. theta energy: -23.562 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: 10, replica: 6 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -688.441906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.441906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.441906 (E_RNA) where: Base-Base interactions energy: -259.949 where: short stacking energy: -165.324 Base-Backbone interact. energy: 6.928 local terms energy: -435.421485 where: bonds (distance) C4'-P energy: -144.129 bonds (distance) P-C4' energy: -163.246 flat angles C4'-P-C4' energy: -83.415 flat angles P-C4'-P energy: -70.315 tors. eta vs tors. theta energy: 25.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2482.359959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.359959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.359959 (E_RNA) where: Base-Base interactions energy: -1644.691 where: short stacking energy: -743.861 Base-Backbone interact. energy: 2.991 local terms energy: -840.660016 where: bonds (distance) C4'-P energy: -164.182 bonds (distance) P-C4' energy: -164.942 flat angles C4'-P-C4' energy: -179.214 flat angles P-C4'-P energy: -121.445 tors. eta vs tors. theta energy: -210.878 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: 8 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2323.665575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.665575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.665575 (E_RNA) where: Base-Base interactions energy: -1522.381 where: short stacking energy: -672.786 Base-Backbone interact. energy: -3.717 local terms energy: -797.566955 where: bonds (distance) C4'-P energy: -162.345 bonds (distance) P-C4' energy: -157.777 flat angles C4'-P-C4' energy: -182.975 flat angles P-C4'-P energy: -118.290 tors. eta vs tors. theta energy: -176.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2101.053396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.053396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.053396 (E_RNA) where: Base-Base interactions energy: -1373.550 where: short stacking energy: -604.932 Base-Backbone interact. energy: 2.771 local terms energy: -730.274615 where: bonds (distance) C4'-P energy: -145.654 bonds (distance) P-C4' energy: -159.420 flat angles C4'-P-C4' energy: -164.444 flat angles P-C4'-P energy: -99.824 tors. eta vs tors. theta energy: -160.933 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: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1960.446864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.446864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.446864 (E_RNA) where: Base-Base interactions energy: -1237.659 where: short stacking energy: -589.243 Base-Backbone interact. energy: -2.017 local terms energy: -720.770708 where: bonds (distance) C4'-P energy: -140.778 bonds (distance) P-C4' energy: -169.811 flat angles C4'-P-C4' energy: -163.496 flat angles P-C4'-P energy: -112.065 tors. eta vs tors. theta energy: -134.621 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: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1410.327066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.327066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.327066 (E_RNA) where: Base-Base interactions energy: -755.402 where: short stacking energy: -421.037 Base-Backbone interact. energy: -1.093 local terms energy: -653.831318 where: bonds (distance) C4'-P energy: -144.493 bonds (distance) P-C4' energy: -162.607 flat angles C4'-P-C4' energy: -159.808 flat angles P-C4'-P energy: -106.454 tors. eta vs tors. theta energy: -80.469 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: 6, replica: 4 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1327.429219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.429219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.429219 (E_RNA) where: Base-Base interactions energy: -758.273 where: short stacking energy: -393.722 Base-Backbone interact. energy: 4.596 local terms energy: -573.752300 where: bonds (distance) C4'-P energy: -138.741 bonds (distance) P-C4' energy: -155.794 flat angles C4'-P-C4' energy: -139.220 flat angles P-C4'-P energy: -90.157 tors. eta vs tors. theta energy: -49.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1301.024132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.024132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.024132 (E_RNA) where: Base-Base interactions energy: -740.891 where: short stacking energy: -360.890 Base-Backbone interact. energy: -3.258 local terms energy: -556.875547 where: bonds (distance) C4'-P energy: -145.175 bonds (distance) P-C4' energy: -162.949 flat angles C4'-P-C4' energy: -128.079 flat angles P-C4'-P energy: -81.050 tors. eta vs tors. theta energy: -39.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -989.032905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.032905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.032905 (E_RNA) where: Base-Base interactions energy: -481.264 where: short stacking energy: -293.080 Base-Backbone interact. energy: 4.777 local terms energy: -512.545562 where: bonds (distance) C4'-P energy: -154.544 bonds (distance) P-C4' energy: -141.088 flat angles C4'-P-C4' energy: -128.467 flat angles P-C4'-P energy: -79.054 tors. eta vs tors. theta energy: -9.392 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: 9, replica: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -938.697689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.697689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.697689 (E_RNA) where: Base-Base interactions energy: -470.574 where: short stacking energy: -245.815 Base-Backbone interact. energy: -1.661 local terms energy: -466.462106 where: bonds (distance) C4'-P energy: -145.819 bonds (distance) P-C4' energy: -146.759 flat angles C4'-P-C4' energy: -96.359 flat angles P-C4'-P energy: -70.919 tors. eta vs tors. theta energy: -6.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -802.138622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.138622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.138622 (E_RNA) where: Base-Base interactions energy: -363.557 where: short stacking energy: -212.008 Base-Backbone interact. energy: 0.118 local terms energy: -438.700058 where: bonds (distance) C4'-P energy: -154.492 bonds (distance) P-C4' energy: -137.332 flat angles C4'-P-C4' energy: -114.626 flat angles P-C4'-P energy: -54.215 tors. eta vs tors. theta energy: 21.965 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: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2433.262399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.262399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.262399 (E_RNA) where: Base-Base interactions energy: -1605.392 where: short stacking energy: -751.052 Base-Backbone interact. energy: -0.391 local terms energy: -827.479463 where: bonds (distance) C4'-P energy: -160.301 bonds (distance) P-C4' energy: -155.369 flat angles C4'-P-C4' energy: -187.667 flat angles P-C4'-P energy: -128.113 tors. eta vs tors. theta energy: -196.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2342.523285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.523285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.523285 (E_RNA) where: Base-Base interactions energy: -1525.349 where: short stacking energy: -706.495 Base-Backbone interact. energy: -4.572 local terms energy: -812.602142 where: bonds (distance) C4'-P energy: -152.354 bonds (distance) P-C4' energy: -169.336 flat angles C4'-P-C4' energy: -185.007 flat angles P-C4'-P energy: -112.993 tors. eta vs tors. theta energy: -192.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2123.953019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.953019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.953019 (E_RNA) where: Base-Base interactions energy: -1397.247 where: short stacking energy: -648.889 Base-Backbone interact. energy: -0.924 local terms energy: -725.782398 where: bonds (distance) C4'-P energy: -147.185 bonds (distance) P-C4' energy: -152.607 flat angles C4'-P-C4' energy: -164.488 flat angles P-C4'-P energy: -100.536 tors. eta vs tors. theta energy: -160.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1935.187133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.187133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.187133 (E_RNA) where: Base-Base interactions energy: -1225.066 where: short stacking energy: -586.838 Base-Backbone interact. energy: -2.584 local terms energy: -707.536724 where: bonds (distance) C4'-P energy: -162.920 bonds (distance) P-C4' energy: -158.839 flat angles C4'-P-C4' energy: -144.593 flat angles P-C4'-P energy: -101.362 tors. eta vs tors. theta energy: -139.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1547.523987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.523987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.523987 (E_RNA) where: Base-Base interactions energy: -903.797 where: short stacking energy: -450.332 Base-Backbone interact. energy: -1.629 local terms energy: -642.097748 where: bonds (distance) C4'-P energy: -145.474 bonds (distance) P-C4' energy: -152.115 flat angles C4'-P-C4' energy: -161.718 flat angles P-C4'-P energy: -97.271 tors. eta vs tors. theta energy: -85.520 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: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1405.446952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.446952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.446952 (E_RNA) where: Base-Base interactions energy: -792.080 where: short stacking energy: -410.863 Base-Backbone interact. energy: 3.090 local terms energy: -616.457297 where: bonds (distance) C4'-P energy: -156.363 bonds (distance) P-C4' energy: -145.967 flat angles C4'-P-C4' energy: -141.581 flat angles P-C4'-P energy: -99.031 tors. eta vs tors. theta energy: -73.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1280.125659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.125659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.125659 (E_RNA) where: Base-Base interactions energy: -691.035 where: short stacking energy: -369.146 Base-Backbone interact. energy: -0.021 local terms energy: -589.068945 where: bonds (distance) C4'-P energy: -156.627 bonds (distance) P-C4' energy: -142.328 flat angles C4'-P-C4' energy: -143.029 flat angles P-C4'-P energy: -86.128 tors. eta vs tors. theta energy: -60.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1000.882948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.882948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.882948 (E_RNA) where: Base-Base interactions energy: -518.131 where: short stacking energy: -313.842 Base-Backbone interact. energy: -0.910 local terms energy: -481.841758 where: bonds (distance) C4'-P energy: -131.531 bonds (distance) P-C4' energy: -133.167 flat angles C4'-P-C4' energy: -118.914 flat angles P-C4'-P energy: -67.565 tors. eta vs tors. theta energy: -30.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1073.355460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.355460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.355460 (E_RNA) where: Base-Base interactions energy: -608.583 where: short stacking energy: -341.973 Base-Backbone interact. energy: 2.650 local terms energy: -467.422879 where: bonds (distance) C4'-P energy: -113.044 bonds (distance) P-C4' energy: -144.740 flat angles C4'-P-C4' energy: -104.590 flat angles P-C4'-P energy: -65.758 tors. eta vs tors. theta energy: -39.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -818.664597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.664597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.664597 (E_RNA) where: Base-Base interactions energy: -378.650 where: short stacking energy: -202.553 Base-Backbone interact. energy: -1.565 local terms energy: -438.449396 where: bonds (distance) C4'-P energy: -128.316 bonds (distance) P-C4' energy: -134.850 flat angles C4'-P-C4' energy: -124.816 flat angles P-C4'-P energy: -61.692 tors. eta vs tors. theta energy: 11.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2476.611390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.611390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.611390 (E_RNA) where: Base-Base interactions energy: -1621.316 where: short stacking energy: -755.909 Base-Backbone interact. energy: 2.517 local terms energy: -857.812344 where: bonds (distance) C4'-P energy: -177.096 bonds (distance) P-C4' energy: -174.829 flat angles C4'-P-C4' energy: -188.621 flat angles P-C4'-P energy: -116.503 tors. eta vs tors. theta energy: -200.763 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: -2405.086749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.086749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.086749 (E_RNA) where: Base-Base interactions energy: -1579.629 where: short stacking energy: -683.458 Base-Backbone interact. energy: -5.304 local terms energy: -820.153755 where: bonds (distance) C4'-P energy: -151.660 bonds (distance) P-C4' energy: -169.592 flat angles C4'-P-C4' energy: -174.161 flat angles P-C4'-P energy: -131.155 tors. eta vs tors. theta energy: -193.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2142.617470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.617470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.617470 (E_RNA) where: Base-Base interactions energy: -1394.745 where: short stacking energy: -635.667 Base-Backbone interact. energy: -3.999 local terms energy: -743.874188 where: bonds (distance) C4'-P energy: -150.957 bonds (distance) P-C4' energy: -164.008 flat angles C4'-P-C4' energy: -166.903 flat angles P-C4'-P energy: -99.688 tors. eta vs tors. theta energy: -162.319 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: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1921.347116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.347116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.347116 (E_RNA) where: Base-Base interactions energy: -1223.056 where: short stacking energy: -561.233 Base-Backbone interact. energy: -3.334 local terms energy: -694.957286 where: bonds (distance) C4'-P energy: -143.456 bonds (distance) P-C4' energy: -138.572 flat angles C4'-P-C4' energy: -162.692 flat angles P-C4'-P energy: -112.116 tors. eta vs tors. theta energy: -138.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1522.659021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.659021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.659021 (E_RNA) where: Base-Base interactions energy: -872.935 where: short stacking energy: -459.156 Base-Backbone interact. energy: -3.084 local terms energy: -646.639965 where: bonds (distance) C4'-P energy: -131.897 bonds (distance) P-C4' energy: -155.563 flat angles C4'-P-C4' energy: -143.112 flat angles P-C4'-P energy: -117.336 tors. eta vs tors. theta energy: -98.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1461.609203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.609203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.609203 (E_RNA) where: Base-Base interactions energy: -873.293 where: short stacking energy: -427.309 Base-Backbone interact. energy: 6.388 local terms energy: -594.703996 where: bonds (distance) C4'-P energy: -145.867 bonds (distance) P-C4' energy: -161.995 flat angles C4'-P-C4' energy: -136.921 flat angles P-C4'-P energy: -71.539 tors. eta vs tors. theta energy: -78.381 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: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1181.957447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.957447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.957447 (E_RNA) where: Base-Base interactions energy: -675.546 where: short stacking energy: -362.194 Base-Backbone interact. energy: 1.618 local terms energy: -508.028875 where: bonds (distance) C4'-P energy: -118.603 bonds (distance) P-C4' energy: -143.114 flat angles C4'-P-C4' energy: -129.569 flat angles P-C4'-P energy: -67.377 tors. eta vs tors. theta energy: -49.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -979.981653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.981653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.981653 (E_RNA) where: Base-Base interactions energy: -492.480 where: short stacking energy: -301.644 Base-Backbone interact. energy: -5.937 local terms energy: -481.564399 where: bonds (distance) C4'-P energy: -137.387 bonds (distance) P-C4' energy: -127.658 flat angles C4'-P-C4' energy: -133.582 flat angles P-C4'-P energy: -49.507 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: 40 Temperature: 1.300000 Total energy: -1096.120766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.120766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.120766 (E_RNA) where: Base-Base interactions energy: -580.597 where: short stacking energy: -305.993 Base-Backbone interact. energy: -0.632 local terms energy: -514.891558 where: bonds (distance) C4'-P energy: -130.942 bonds (distance) P-C4' energy: -144.362 flat angles C4'-P-C4' energy: -132.861 flat angles P-C4'-P energy: -80.241 tors. eta vs tors. theta energy: -26.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -746.968949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.968949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.968949 (E_RNA) where: Base-Base interactions energy: -338.931 where: short stacking energy: -211.849 Base-Backbone interact. energy: 2.670 local terms energy: -410.707840 where: bonds (distance) C4'-P energy: -130.099 bonds (distance) P-C4' energy: -124.242 flat angles C4'-P-C4' energy: -110.612 flat angles P-C4'-P energy: -70.764 tors. eta vs tors. theta energy: 25.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2406.586414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.586414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.586414 (E_RNA) where: Base-Base interactions energy: -1554.016 where: short stacking energy: -719.716 Base-Backbone interact. energy: 1.092 local terms energy: -853.662529 where: bonds (distance) C4'-P energy: -165.137 bonds (distance) P-C4' energy: -178.994 flat angles C4'-P-C4' energy: -189.626 flat angles P-C4'-P energy: -122.709 tors. eta vs tors. theta energy: -197.196 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: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2371.641855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.641855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.641855 (E_RNA) where: Base-Base interactions energy: -1587.340 where: short stacking energy: -696.600 Base-Backbone interact. energy: -1.242 local terms energy: -783.060232 where: bonds (distance) C4'-P energy: -144.456 bonds (distance) P-C4' energy: -159.495 flat angles C4'-P-C4' energy: -164.679 flat angles P-C4'-P energy: -121.295 tors. eta vs tors. theta energy: -193.136 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: 7 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2142.724514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.724514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.724514 (E_RNA) where: Base-Base interactions energy: -1388.548 where: short stacking energy: -634.042 Base-Backbone interact. energy: -4.081 local terms energy: -750.094754 where: bonds (distance) C4'-P energy: -158.981 bonds (distance) P-C4' energy: -165.496 flat angles C4'-P-C4' energy: -171.472 flat angles P-C4'-P energy: -105.219 tors. eta vs tors. theta energy: -148.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1935.531509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.531509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.531509 (E_RNA) where: Base-Base interactions energy: -1237.651 where: short stacking energy: -566.375 Base-Backbone interact. energy: -1.577 local terms energy: -696.303417 where: bonds (distance) C4'-P energy: -140.183 bonds (distance) P-C4' energy: -156.823 flat angles C4'-P-C4' energy: -165.382 flat angles P-C4'-P energy: -97.464 tors. eta vs tors. theta energy: -136.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1515.636968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.636968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.636968 (E_RNA) where: Base-Base interactions energy: -895.493 where: short stacking energy: -427.287 Base-Backbone interact. energy: -2.718 local terms energy: -617.426610 where: bonds (distance) C4'-P energy: -152.672 bonds (distance) P-C4' energy: -141.045 flat angles C4'-P-C4' energy: -142.740 flat angles P-C4'-P energy: -103.100 tors. eta vs tors. theta energy: -77.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1502.424862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.424862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.424862 (E_RNA) where: Base-Base interactions energy: -885.931 where: short stacking energy: -428.422 Base-Backbone interact. energy: -3.362 local terms energy: -613.131533 where: bonds (distance) C4'-P energy: -146.087 bonds (distance) P-C4' energy: -153.716 flat angles C4'-P-C4' energy: -139.392 flat angles P-C4'-P energy: -91.614 tors. eta vs tors. theta energy: -82.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1181.284733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.284733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.284733 (E_RNA) where: Base-Base interactions energy: -646.939 where: short stacking energy: -353.700 Base-Backbone interact. energy: -2.758 local terms energy: -531.587544 where: bonds (distance) C4'-P energy: -139.192 bonds (distance) P-C4' energy: -135.011 flat angles C4'-P-C4' energy: -144.322 flat angles P-C4'-P energy: -68.690 tors. eta vs tors. theta energy: -44.372 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: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1101.819764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.819764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.819764 (E_RNA) where: Base-Base interactions energy: -637.804 where: short stacking energy: -331.690 Base-Backbone interact. energy: -3.263 local terms energy: -460.752384 where: bonds (distance) C4'-P energy: -136.049 bonds (distance) P-C4' energy: -133.194 flat angles C4'-P-C4' energy: -136.739 flat angles P-C4'-P energy: -52.384 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -988.182916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.182916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.182916 (E_RNA) where: Base-Base interactions energy: -516.933 where: short stacking energy: -269.760 Base-Backbone interact. energy: -1.915 local terms energy: -469.335740 where: bonds (distance) C4'-P energy: -138.878 bonds (distance) P-C4' energy: -136.827 flat angles C4'-P-C4' energy: -102.149 flat angles P-C4'-P energy: -65.800 tors. eta vs tors. theta energy: -25.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -772.885383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.885383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.885383 (E_RNA) where: Base-Base interactions energy: -371.085 where: short stacking energy: -200.453 Base-Backbone interact. energy: -1.053 local terms energy: -400.747513 where: bonds (distance) C4'-P energy: -124.219 bonds (distance) P-C4' energy: -124.846 flat angles C4'-P-C4' energy: -110.732 flat angles P-C4'-P energy: -65.519 tors. eta vs tors. theta energy: 24.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2479.789956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.789956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.789956 (E_RNA) where: Base-Base interactions energy: -1672.852 where: short stacking energy: -729.345 Base-Backbone interact. energy: -3.615 local terms energy: -803.323155 where: bonds (distance) C4'-P energy: -159.386 bonds (distance) P-C4' energy: -153.582 flat angles C4'-P-C4' energy: -185.765 flat angles P-C4'-P energy: -110.908 tors. eta vs tors. theta energy: -193.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2409.776098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.776098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.776098 (E_RNA) where: Base-Base interactions energy: -1594.810 where: short stacking energy: -685.558 Base-Backbone interact. energy: -2.098 local terms energy: -812.868159 where: bonds (distance) C4'-P energy: -165.695 bonds (distance) P-C4' energy: -162.872 flat angles C4'-P-C4' energy: -185.109 flat angles P-C4'-P energy: -111.938 tors. eta vs tors. theta energy: -187.254 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: 7 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2164.637954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.637954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.637954 (E_RNA) where: Base-Base interactions energy: -1380.429 where: short stacking energy: -659.717 Base-Backbone interact. energy: -0.742 local terms energy: -783.466753 where: bonds (distance) C4'-P energy: -155.978 bonds (distance) P-C4' energy: -159.474 flat angles C4'-P-C4' energy: -174.256 flat angles P-C4'-P energy: -113.990 tors. eta vs tors. theta energy: -179.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1963.630244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.630244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.630244 (E_RNA) where: Base-Base interactions energy: -1259.218 where: short stacking energy: -523.210 Base-Backbone interact. energy: -0.292 local terms energy: -704.119357 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -173.106 flat angles C4'-P-C4' energy: -165.481 flat angles P-C4'-P energy: -112.657 tors. eta vs tors. theta energy: -115.245 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: 42 Temperature: 1.100000 Total energy: -1600.491614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.491614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.491614 (E_RNA) where: Base-Base interactions energy: -974.134 where: short stacking energy: -407.249 Base-Backbone interact. energy: -1.501 local terms energy: -624.856579 where: bonds (distance) C4'-P energy: -143.928 bonds (distance) P-C4' energy: -156.729 flat angles C4'-P-C4' energy: -153.314 flat angles P-C4'-P energy: -101.685 tors. eta vs tors. theta energy: -69.202 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: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1495.895563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.895563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.895563 (E_RNA) where: Base-Base interactions energy: -871.617 where: short stacking energy: -471.088 Base-Backbone interact. energy: -0.467 local terms energy: -623.811400 where: bonds (distance) C4'-P energy: -155.231 bonds (distance) P-C4' energy: -133.448 flat angles C4'-P-C4' energy: -141.338 flat angles P-C4'-P energy: -92.017 tors. eta vs tors. theta energy: -101.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1170.812095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.812095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.812095 (E_RNA) where: Base-Base interactions energy: -607.378 where: short stacking energy: -343.690 Base-Backbone interact. energy: -1.807 local terms energy: -561.627496 where: bonds (distance) C4'-P energy: -144.789 bonds (distance) P-C4' energy: -156.235 flat angles C4'-P-C4' energy: -141.836 flat angles P-C4'-P energy: -83.545 tors. eta vs tors. theta energy: -35.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1022.313840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.313840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.313840 (E_RNA) where: Base-Base interactions energy: -509.898 where: short stacking energy: -298.059 Base-Backbone interact. energy: 3.490 local terms energy: -515.905827 where: bonds (distance) C4'-P energy: -143.323 bonds (distance) P-C4' energy: -155.063 flat angles C4'-P-C4' energy: -126.988 flat angles P-C4'-P energy: -74.699 tors. eta vs tors. theta energy: -15.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -951.510703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.510703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.510703 (E_RNA) where: Base-Base interactions energy: -498.699 where: short stacking energy: -273.066 Base-Backbone interact. energy: 0.567 local terms energy: -453.379246 where: bonds (distance) C4'-P energy: -116.579 bonds (distance) P-C4' energy: -119.330 flat angles C4'-P-C4' energy: -124.791 flat angles P-C4'-P energy: -80.351 tors. eta vs tors. theta energy: -12.329 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: 6 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -793.767949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.767949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.767949 (E_RNA) where: Base-Base interactions energy: -379.606 where: short stacking energy: -255.558 Base-Backbone interact. energy: 5.717 local terms energy: -419.878704 where: bonds (distance) C4'-P energy: -108.181 bonds (distance) P-C4' energy: -154.399 flat angles C4'-P-C4' energy: -100.546 flat angles P-C4'-P energy: -59.132 tors. eta vs tors. theta energy: 2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2563.763775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.763775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.763775 (E_RNA) where: Base-Base interactions energy: -1700.464 where: short stacking energy: -769.057 Base-Backbone interact. energy: -2.999 local terms energy: -860.300965 where: bonds (distance) C4'-P energy: -171.433 bonds (distance) P-C4' energy: -164.943 flat angles C4'-P-C4' energy: -190.308 flat angles P-C4'-P energy: -129.293 tors. eta vs tors. theta energy: -204.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2354.253496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.253496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.253496 (E_RNA) where: Base-Base interactions energy: -1566.995 where: short stacking energy: -677.481 Base-Backbone interact. energy: -6.645 local terms energy: -780.613002 where: bonds (distance) C4'-P energy: -156.399 bonds (distance) P-C4' energy: -172.248 flat angles C4'-P-C4' energy: -165.675 flat angles P-C4'-P energy: -101.592 tors. eta vs tors. theta energy: -184.698 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: 43 Temperature: 1.000000 Total energy: -2119.870271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.870271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.870271 (E_RNA) where: Base-Base interactions energy: -1364.805 where: short stacking energy: -658.193 Base-Backbone interact. energy: -2.265 local terms energy: -752.799932 where: bonds (distance) C4'-P energy: -155.305 bonds (distance) P-C4' energy: -145.565 flat angles C4'-P-C4' energy: -174.914 flat angles P-C4'-P energy: -104.445 tors. eta vs tors. theta energy: -172.571 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: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1958.911370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.911370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.911370 (E_RNA) where: Base-Base interactions energy: -1252.538 where: short stacking energy: -575.103 Base-Backbone interact. energy: -3.311 local terms energy: -703.061657 where: bonds (distance) C4'-P energy: -147.109 bonds (distance) P-C4' energy: -155.612 flat angles C4'-P-C4' energy: -158.816 flat angles P-C4'-P energy: -106.215 tors. eta vs tors. theta energy: -135.310 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: 43 Temperature: 1.100000 Total energy: -1638.532221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.532221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.532221 (E_RNA) where: Base-Base interactions energy: -989.173 where: short stacking energy: -500.669 Base-Backbone interact. energy: 0.222 local terms energy: -649.581903 where: bonds (distance) C4'-P energy: -162.649 bonds (distance) P-C4' energy: -141.527 flat angles C4'-P-C4' energy: -152.769 flat angles P-C4'-P energy: -94.264 tors. eta vs tors. theta energy: -98.372 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: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1402.144317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.144317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.144317 (E_RNA) where: Base-Base interactions energy: -810.188 where: short stacking energy: -398.815 Base-Backbone interact. energy: -4.267 local terms energy: -587.689030 where: bonds (distance) C4'-P energy: -129.591 bonds (distance) P-C4' energy: -147.821 flat angles C4'-P-C4' energy: -140.480 flat angles P-C4'-P energy: -107.167 tors. eta vs tors. theta energy: -62.630 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: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1182.145871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.145871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.145871 (E_RNA) where: Base-Base interactions energy: -650.562 where: short stacking energy: -352.112 Base-Backbone interact. energy: -0.136 local terms energy: -531.447919 where: bonds (distance) C4'-P energy: -153.771 bonds (distance) P-C4' energy: -134.193 flat angles C4'-P-C4' energy: -126.110 flat angles P-C4'-P energy: -74.169 tors. eta vs tors. theta energy: -43.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1069.166562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.166562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.166562 (E_RNA) where: Base-Base interactions energy: -587.115 where: short stacking energy: -310.280 Base-Backbone interact. energy: -1.597 local terms energy: -480.454292 where: bonds (distance) C4'-P energy: -122.499 bonds (distance) P-C4' energy: -146.647 flat angles C4'-P-C4' energy: -118.260 flat angles P-C4'-P energy: -76.731 tors. eta vs tors. theta energy: -16.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -944.085761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.085761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.085761 (E_RNA) where: Base-Base interactions energy: -499.455 where: short stacking energy: -284.589 Base-Backbone interact. energy: -2.409 local terms energy: -442.221682 where: bonds (distance) C4'-P energy: -156.230 bonds (distance) P-C4' energy: -120.520 flat angles C4'-P-C4' energy: -119.295 flat angles P-C4'-P energy: -49.099 tors. eta vs tors. theta energy: 2.922 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: 6 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -836.629565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.629565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.629565 (E_RNA) where: Base-Base interactions energy: -369.535 where: short stacking energy: -219.989 Base-Backbone interact. energy: -3.163 local terms energy: -463.931461 where: bonds (distance) C4'-P energy: -146.346 bonds (distance) P-C4' energy: -132.868 flat angles C4'-P-C4' energy: -108.899 flat angles P-C4'-P energy: -80.196 tors. eta vs tors. theta energy: 4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2478.802778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.802778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.802778 (E_RNA) where: Base-Base interactions energy: -1640.016 where: short stacking energy: -722.989 Base-Backbone interact. energy: -2.430 local terms energy: -836.356751 where: bonds (distance) C4'-P energy: -167.614 bonds (distance) P-C4' energy: -164.260 flat angles C4'-P-C4' energy: -181.547 flat angles P-C4'-P energy: -116.667 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: 2, replica: 8 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2400.587053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.587053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.587053 (E_RNA) where: Base-Base interactions energy: -1576.254 where: short stacking energy: -700.130 Base-Backbone interact. energy: -1.165 local terms energy: -823.168425 where: bonds (distance) C4'-P energy: -161.597 bonds (distance) P-C4' energy: -169.578 flat angles C4'-P-C4' energy: -186.529 flat angles P-C4'-P energy: -109.908 tors. eta vs tors. theta energy: -195.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2087.550659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.550659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.550659 (E_RNA) where: Base-Base interactions energy: -1316.784 where: short stacking energy: -617.328 Base-Backbone interact. energy: -1.275 local terms energy: -769.490856 where: bonds (distance) C4'-P energy: -153.377 bonds (distance) P-C4' energy: -168.472 flat angles C4'-P-C4' energy: -161.445 flat angles P-C4'-P energy: -127.838 tors. eta vs tors. theta energy: -158.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1991.573316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.573316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.573316 (E_RNA) where: Base-Base interactions energy: -1253.438 where: short stacking energy: -603.712 Base-Backbone interact. energy: -2.515 local terms energy: -735.620134 where: bonds (distance) C4'-P energy: -155.575 bonds (distance) P-C4' energy: -152.534 flat angles C4'-P-C4' energy: -161.156 flat angles P-C4'-P energy: -99.756 tors. eta vs tors. theta energy: -166.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1662.667183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.667183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.667183 (E_RNA) where: Base-Base interactions energy: -999.336 where: short stacking energy: -490.163 Base-Backbone interact. energy: -1.460 local terms energy: -661.871182 where: bonds (distance) C4'-P energy: -143.930 bonds (distance) P-C4' energy: -159.906 flat angles C4'-P-C4' energy: -154.088 flat angles P-C4'-P energy: -97.182 tors. eta vs tors. theta energy: -106.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1409.844652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.844652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.844652 (E_RNA) where: Base-Base interactions energy: -806.832 where: short stacking energy: -422.747 Base-Backbone interact. energy: 1.717 local terms energy: -604.729499 where: bonds (distance) C4'-P energy: -159.296 bonds (distance) P-C4' energy: -148.170 flat angles C4'-P-C4' energy: -137.604 flat angles P-C4'-P energy: -82.385 tors. eta vs tors. theta energy: -77.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1156.619932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.619932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.619932 (E_RNA) where: Base-Base interactions energy: -612.827 where: short stacking energy: -350.693 Base-Backbone interact. energy: -0.342 local terms energy: -543.450410 where: bonds (distance) C4'-P energy: -133.698 bonds (distance) P-C4' energy: -150.058 flat angles C4'-P-C4' energy: -130.057 flat angles P-C4'-P energy: -86.757 tors. eta vs tors. theta energy: -42.880 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: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1034.245102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.245102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.245102 (E_RNA) where: Base-Base interactions energy: -517.833 where: short stacking energy: -272.999 Base-Backbone interact. energy: 4.674 local terms energy: -521.086360 where: bonds (distance) C4'-P energy: -138.657 bonds (distance) P-C4' energy: -171.777 flat angles C4'-P-C4' energy: -140.886 flat angles P-C4'-P energy: -60.868 tors. eta vs tors. theta energy: -8.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1017.124543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.124543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.124543 (E_RNA) where: Base-Base interactions energy: -556.238 where: short stacking energy: -302.422 Base-Backbone interact. energy: -0.778 local terms energy: -460.108125 where: bonds (distance) C4'-P energy: -122.632 bonds (distance) P-C4' energy: -132.445 flat angles C4'-P-C4' energy: -131.964 flat angles P-C4'-P energy: -61.882 tors. eta vs tors. theta energy: -11.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -932.216379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.216379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.216379 (E_RNA) where: Base-Base interactions energy: -473.393 where: short stacking energy: -275.685 Base-Backbone interact. energy: 5.037 local terms energy: -463.859844 where: bonds (distance) C4'-P energy: -124.193 bonds (distance) P-C4' energy: -133.785 flat angles C4'-P-C4' energy: -115.941 flat angles P-C4'-P energy: -74.496 tors. eta vs tors. theta energy: -15.446 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: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2475.330606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.330606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.330606 (E_RNA) where: Base-Base interactions energy: -1623.031 where: short stacking energy: -723.765 Base-Backbone interact. energy: -0.831 local terms energy: -851.468049 where: bonds (distance) C4'-P energy: -155.436 bonds (distance) P-C4' energy: -170.665 flat angles C4'-P-C4' energy: -203.101 flat angles P-C4'-P energy: -118.440 tors. eta vs tors. theta energy: -203.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2389.698306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.698306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.698306 (E_RNA) where: Base-Base interactions energy: -1544.216 where: short stacking energy: -700.659 Base-Backbone interact. energy: -3.089 local terms energy: -842.393680 where: bonds (distance) C4'-P energy: -150.726 bonds (distance) P-C4' energy: -174.446 flat angles C4'-P-C4' energy: -189.210 flat angles P-C4'-P energy: -121.593 tors. eta vs tors. theta energy: -206.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2134.750378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.750378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.750378 (E_RNA) where: Base-Base interactions energy: -1377.877 where: short stacking energy: -655.038 Base-Backbone interact. energy: -4.003 local terms energy: -752.871028 where: bonds (distance) C4'-P energy: -141.255 bonds (distance) P-C4' energy: -155.157 flat angles C4'-P-C4' energy: -175.903 flat angles P-C4'-P energy: -99.095 tors. eta vs tors. theta energy: -181.461 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: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1991.785427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.785427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.785427 (E_RNA) where: Base-Base interactions energy: -1277.892 where: short stacking energy: -587.425 Base-Backbone interact. energy: -2.327 local terms energy: -711.566308 where: bonds (distance) C4'-P energy: -147.339 bonds (distance) P-C4' energy: -164.004 flat angles C4'-P-C4' energy: -158.865 flat angles P-C4'-P energy: -90.353 tors. eta vs tors. theta energy: -151.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1612.337625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.337625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.337625 (E_RNA) where: Base-Base interactions energy: -968.209 where: short stacking energy: -471.646 Base-Backbone interact. energy: -2.301 local terms energy: -641.827680 where: bonds (distance) C4'-P energy: -143.974 bonds (distance) P-C4' energy: -149.161 flat angles C4'-P-C4' energy: -147.636 flat angles P-C4'-P energy: -101.942 tors. eta vs tors. theta energy: -99.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1412.826704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.826704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.826704 (E_RNA) where: Base-Base interactions energy: -832.538 where: short stacking energy: -443.810 Base-Backbone interact. energy: -2.450 local terms energy: -577.838978 where: bonds (distance) C4'-P energy: -140.085 bonds (distance) P-C4' energy: -132.809 flat angles C4'-P-C4' energy: -149.998 flat angles P-C4'-P energy: -64.506 tors. eta vs tors. theta energy: -90.441 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: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1131.950370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.950370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.950370 (E_RNA) where: Base-Base interactions energy: -625.898 where: short stacking energy: -341.665 Base-Backbone interact. energy: 3.700 local terms energy: -509.752920 where: bonds (distance) C4'-P energy: -121.000 bonds (distance) P-C4' energy: -130.077 flat angles C4'-P-C4' energy: -135.224 flat angles P-C4'-P energy: -81.514 tors. eta vs tors. theta energy: -41.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1072.045445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.045445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.045445 (E_RNA) where: Base-Base interactions energy: -590.685 where: short stacking energy: -354.516 Base-Backbone interact. energy: 2.986 local terms energy: -484.346658 where: bonds (distance) C4'-P energy: -119.890 bonds (distance) P-C4' energy: -131.056 flat angles C4'-P-C4' energy: -128.182 flat angles P-C4'-P energy: -72.282 tors. eta vs tors. theta energy: -32.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -923.257847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.257847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.257847 (E_RNA) where: Base-Base interactions energy: -437.253 where: short stacking energy: -233.109 Base-Backbone interact. energy: 0.404 local terms energy: -486.408565 where: bonds (distance) C4'-P energy: -149.910 bonds (distance) P-C4' energy: -156.173 flat angles C4'-P-C4' energy: -102.135 flat angles P-C4'-P energy: -68.395 tors. eta vs tors. theta energy: -9.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -790.872874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.872874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.872874 (E_RNA) where: Base-Base interactions energy: -356.290 where: short stacking energy: -215.806 Base-Backbone interact. energy: 2.084 local terms energy: -436.666488 where: bonds (distance) C4'-P energy: -135.706 bonds (distance) P-C4' energy: -154.078 flat angles C4'-P-C4' energy: -90.702 flat angles P-C4'-P energy: -80.095 tors. eta vs tors. theta energy: 23.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2495.797265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.797265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.797265 (E_RNA) where: Base-Base interactions energy: -1656.372 where: short stacking energy: -724.364 Base-Backbone interact. energy: -4.879 local terms energy: -834.546228 where: bonds (distance) C4'-P energy: -157.230 bonds (distance) P-C4' energy: -165.834 flat angles C4'-P-C4' energy: -186.385 flat angles P-C4'-P energy: -116.015 tors. eta vs tors. theta energy: -209.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2368.068246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.068246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.068246 (E_RNA) where: Base-Base interactions energy: -1577.908 where: short stacking energy: -718.334 Base-Backbone interact. energy: -0.583 local terms energy: -789.576817 where: bonds (distance) C4'-P energy: -151.544 bonds (distance) P-C4' energy: -139.391 flat angles C4'-P-C4' energy: -184.148 flat angles P-C4'-P energy: -112.677 tors. eta vs tors. theta energy: -201.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2104.286159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.286159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.286159 (E_RNA) where: Base-Base interactions energy: -1359.396 where: short stacking energy: -602.740 Base-Backbone interact. energy: 1.689 local terms energy: -746.579261 where: bonds (distance) C4'-P energy: -148.583 bonds (distance) P-C4' energy: -157.811 flat angles C4'-P-C4' energy: -168.542 flat angles P-C4'-P energy: -102.715 tors. eta vs tors. theta energy: -168.929 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: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2048.958607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.958607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.958607 (E_RNA) where: Base-Base interactions energy: -1324.462 where: short stacking energy: -646.860 Base-Backbone interact. energy: -3.746 local terms energy: -720.750424 where: bonds (distance) C4'-P energy: -138.906 bonds (distance) P-C4' energy: -175.283 flat angles C4'-P-C4' energy: -158.588 flat angles P-C4'-P energy: -91.895 tors. eta vs tors. theta energy: -156.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1564.645899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.645899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.645899 (E_RNA) where: Base-Base interactions energy: -899.913 where: short stacking energy: -483.835 Base-Backbone interact. energy: -0.703 local terms energy: -664.029927 where: bonds (distance) C4'-P energy: -159.419 bonds (distance) P-C4' energy: -162.311 flat angles C4'-P-C4' energy: -152.803 flat angles P-C4'-P energy: -87.733 tors. eta vs tors. theta energy: -101.763 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: 10 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1500.969061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.969061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.969061 (E_RNA) where: Base-Base interactions energy: -877.522 where: short stacking energy: -423.303 Base-Backbone interact. energy: 1.967 local terms energy: -625.413955 where: bonds (distance) C4'-P energy: -122.562 bonds (distance) P-C4' energy: -156.942 flat angles C4'-P-C4' energy: -165.994 flat angles P-C4'-P energy: -90.315 tors. eta vs tors. theta energy: -89.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1152.295149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.295149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.295149 (E_RNA) where: Base-Base interactions energy: -623.912 where: short stacking energy: -326.594 Base-Backbone interact. energy: -0.672 local terms energy: -527.711219 where: bonds (distance) C4'-P energy: -132.763 bonds (distance) P-C4' energy: -128.719 flat angles C4'-P-C4' energy: -137.122 flat angles P-C4'-P energy: -90.390 tors. eta vs tors. theta energy: -38.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1042.976126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.976126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.976126 (E_RNA) where: Base-Base interactions energy: -572.522 where: short stacking energy: -315.675 Base-Backbone interact. energy: -2.156 local terms energy: -468.298172 where: bonds (distance) C4'-P energy: -115.317 bonds (distance) P-C4' energy: -153.070 flat angles C4'-P-C4' energy: -92.566 flat angles P-C4'-P energy: -78.187 tors. eta vs tors. theta energy: -29.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -846.538706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.538706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.538706 (E_RNA) where: Base-Base interactions energy: -421.731 where: short stacking energy: -249.736 Base-Backbone interact. energy: -1.530 local terms energy: -423.277664 where: bonds (distance) C4'-P energy: -124.070 bonds (distance) P-C4' energy: -138.712 flat angles C4'-P-C4' energy: -129.085 flat angles P-C4'-P energy: -52.455 tors. eta vs tors. theta energy: 21.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -823.420210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.420210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.420210 (E_RNA) where: Base-Base interactions energy: -401.521 where: short stacking energy: -251.768 Base-Backbone interact. energy: -0.549 local terms energy: -421.349892 where: bonds (distance) C4'-P energy: -129.968 bonds (distance) P-C4' energy: -135.371 flat angles C4'-P-C4' energy: -107.379 flat angles P-C4'-P energy: -70.962 tors. eta vs tors. theta energy: 22.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2505.379530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.379530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.379530 (E_RNA) where: Base-Base interactions energy: -1670.402 where: short stacking energy: -770.438 Base-Backbone interact. energy: -3.238 local terms energy: -831.740490 where: bonds (distance) C4'-P energy: -148.198 bonds (distance) P-C4' energy: -167.469 flat angles C4'-P-C4' energy: -183.281 flat angles P-C4'-P energy: -126.436 tors. eta vs tors. theta energy: -206.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2390.105195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.105195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.105195 (E_RNA) where: Base-Base interactions energy: -1546.044 where: short stacking energy: -690.969 Base-Backbone interact. energy: -2.743 local terms energy: -841.317545 where: bonds (distance) C4'-P energy: -166.196 bonds (distance) P-C4' energy: -175.495 flat angles C4'-P-C4' energy: -175.013 flat angles P-C4'-P energy: -117.370 tors. eta vs tors. theta energy: -207.243 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: 7 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2195.787631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.787631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.787631 (E_RNA) where: Base-Base interactions energy: -1407.627 where: short stacking energy: -663.684 Base-Backbone interact. energy: -1.304 local terms energy: -786.856516 where: bonds (distance) C4'-P energy: -156.087 bonds (distance) P-C4' energy: -159.663 flat angles C4'-P-C4' energy: -181.420 flat angles P-C4'-P energy: -119.671 tors. eta vs tors. theta energy: -170.016 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: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2097.565274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.565274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.565274 (E_RNA) where: Base-Base interactions energy: -1341.865 where: short stacking energy: -607.418 Base-Backbone interact. energy: 0.700 local terms energy: -756.399978 where: bonds (distance) C4'-P energy: -150.439 bonds (distance) P-C4' energy: -149.648 flat angles C4'-P-C4' energy: -161.703 flat angles P-C4'-P energy: -126.358 tors. eta vs tors. theta energy: -168.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1569.949778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.949778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.949778 (E_RNA) where: Base-Base interactions energy: -931.337 where: short stacking energy: -473.377 Base-Backbone interact. energy: -1.727 local terms energy: -636.886413 where: bonds (distance) C4'-P energy: -146.973 bonds (distance) P-C4' energy: -144.889 flat angles C4'-P-C4' energy: -153.483 flat angles P-C4'-P energy: -96.667 tors. eta vs tors. theta energy: -94.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1522.162811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.162811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.162811 (E_RNA) where: Base-Base interactions energy: -898.634 where: short stacking energy: -446.435 Base-Backbone interact. energy: 3.094 local terms energy: -626.622772 where: bonds (distance) C4'-P energy: -151.738 bonds (distance) P-C4' energy: -137.138 flat angles C4'-P-C4' energy: -140.375 flat angles P-C4'-P energy: -100.387 tors. eta vs tors. theta energy: -96.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1244.998699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.998699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.998699 (E_RNA) where: Base-Base interactions energy: -687.741 where: short stacking energy: -367.209 Base-Backbone interact. energy: 0.477 local terms energy: -557.735266 where: bonds (distance) C4'-P energy: -149.046 bonds (distance) P-C4' energy: -137.227 flat angles C4'-P-C4' energy: -135.042 flat angles P-C4'-P energy: -81.074 tors. eta vs tors. theta energy: -55.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1092.128193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.128193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.128193 (E_RNA) where: Base-Base interactions energy: -575.651 where: short stacking energy: -327.018 Base-Backbone interact. energy: -0.054 local terms energy: -516.422478 where: bonds (distance) C4'-P energy: -142.372 bonds (distance) P-C4' energy: -142.056 flat angles C4'-P-C4' energy: -120.250 flat angles P-C4'-P energy: -79.498 tors. eta vs tors. theta energy: -32.247 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: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -910.466443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.466443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.466443 (E_RNA) where: Base-Base interactions energy: -477.463 where: short stacking energy: -253.358 Base-Backbone interact. energy: 3.975 local terms energy: -436.978600 where: bonds (distance) C4'-P energy: -118.903 bonds (distance) P-C4' energy: -133.709 flat angles C4'-P-C4' energy: -132.351 flat angles P-C4'-P energy: -49.914 tors. eta vs tors. theta energy: -2.102 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: 6 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -805.348139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.348139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.348139 (E_RNA) where: Base-Base interactions energy: -372.238 where: short stacking energy: -197.659 Base-Backbone interact. energy: 0.842 local terms energy: -433.952017 where: bonds (distance) C4'-P energy: -121.868 bonds (distance) P-C4' energy: -133.657 flat angles C4'-P-C4' energy: -138.057 flat angles P-C4'-P energy: -53.547 tors. eta vs tors. theta energy: 13.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2545.735324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.735324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.735324 (E_RNA) where: Base-Base interactions energy: -1689.490 where: short stacking energy: -741.169 Base-Backbone interact. energy: -4.563 local terms energy: -851.682544 where: bonds (distance) C4'-P energy: -172.802 bonds (distance) P-C4' energy: -166.913 flat angles C4'-P-C4' energy: -189.938 flat angles P-C4'-P energy: -119.935 tors. eta vs tors. theta energy: -202.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2344.266119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.266119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.266119 (E_RNA) where: Base-Base interactions energy: -1535.163 where: short stacking energy: -691.564 Base-Backbone interact. energy: -4.411 local terms energy: -804.692427 where: bonds (distance) C4'-P energy: -165.059 bonds (distance) P-C4' energy: -163.784 flat angles C4'-P-C4' energy: -168.404 flat angles P-C4'-P energy: -109.689 tors. eta vs tors. theta energy: -197.756 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: 3, replica: 7 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2151.974562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.974562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.974562 (E_RNA) where: Base-Base interactions energy: -1415.305 where: short stacking energy: -645.328 Base-Backbone interact. energy: -0.383 local terms energy: -736.286010 where: bonds (distance) C4'-P energy: -148.251 bonds (distance) P-C4' energy: -142.354 flat angles C4'-P-C4' energy: -152.629 flat angles P-C4'-P energy: -113.140 tors. eta vs tors. theta energy: -179.912 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: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2144.098731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.098731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.098731 (E_RNA) where: Base-Base interactions energy: -1399.192 where: short stacking energy: -628.020 Base-Backbone interact. energy: 0.049 local terms energy: -744.956067 where: bonds (distance) C4'-P energy: -147.871 bonds (distance) P-C4' energy: -157.455 flat angles C4'-P-C4' energy: -176.298 flat angles P-C4'-P energy: -97.420 tors. eta vs tors. theta energy: -165.912 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: 5, replica: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1646.363017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.363017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.363017 (E_RNA) where: Base-Base interactions energy: -975.740 where: short stacking energy: -490.717 Base-Backbone interact. energy: 1.063 local terms energy: -671.685947 where: bonds (distance) C4'-P energy: -150.860 bonds (distance) P-C4' energy: -163.768 flat angles C4'-P-C4' energy: -151.560 flat angles P-C4'-P energy: -87.715 tors. eta vs tors. theta energy: -117.782 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: 6, replica: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1589.166869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.166869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.166869 (E_RNA) where: Base-Base interactions energy: -968.117 where: short stacking energy: -468.659 Base-Backbone interact. energy: 0.237 local terms energy: -621.286261 where: bonds (distance) C4'-P energy: -141.304 bonds (distance) P-C4' energy: -144.884 flat angles C4'-P-C4' energy: -119.332 flat angles P-C4'-P energy: -103.729 tors. eta vs tors. theta energy: -112.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1193.460249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.460249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.460249 (E_RNA) where: Base-Base interactions energy: -670.778 where: short stacking energy: -342.808 Base-Backbone interact. energy: -0.083 local terms energy: -522.598793 where: bonds (distance) C4'-P energy: -147.832 bonds (distance) P-C4' energy: -149.686 flat angles C4'-P-C4' energy: -130.204 flat angles P-C4'-P energy: -66.266 tors. eta vs tors. theta energy: -28.611 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: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1204.921564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.921564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.921564 (E_RNA) where: Base-Base interactions energy: -659.753 where: short stacking energy: -312.152 Base-Backbone interact. energy: -1.203 local terms energy: -543.965481 where: bonds (distance) C4'-P energy: -135.436 bonds (distance) P-C4' energy: -145.398 flat angles C4'-P-C4' energy: -120.522 flat angles P-C4'-P energy: -98.475 tors. eta vs tors. theta energy: -44.135 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: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -943.460415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.460415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.460415 (E_RNA) where: Base-Base interactions energy: -489.358 where: short stacking energy: -280.633 Base-Backbone interact. energy: -0.825 local terms energy: -453.277492 where: bonds (distance) C4'-P energy: -128.040 bonds (distance) P-C4' energy: -142.482 flat angles C4'-P-C4' energy: -93.854 flat angles P-C4'-P energy: -82.729 tors. eta vs tors. theta energy: -6.172 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: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -793.038340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.038340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.038340 (E_RNA) where: Base-Base interactions energy: -361.177 where: short stacking energy: -197.113 Base-Backbone interact. energy: 3.254 local terms energy: -435.115925 where: bonds (distance) C4'-P energy: -137.416 bonds (distance) P-C4' energy: -138.250 flat angles C4'-P-C4' energy: -108.857 flat angles P-C4'-P energy: -70.530 tors. eta vs tors. theta energy: 19.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2525.042744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.042744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.042744 (E_RNA) where: Base-Base interactions energy: -1670.529 where: short stacking energy: -755.601 Base-Backbone interact. energy: 0.692 local terms energy: -855.205814 where: bonds (distance) C4'-P energy: -168.808 bonds (distance) P-C4' energy: -173.432 flat angles C4'-P-C4' energy: -183.746 flat angles P-C4'-P energy: -126.811 tors. eta vs tors. theta energy: -202.409 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: 8 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2354.279085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.279085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.279085 (E_RNA) where: Base-Base interactions energy: -1540.655 where: short stacking energy: -699.582 Base-Backbone interact. energy: -2.713 local terms energy: -810.910784 where: bonds (distance) C4'-P energy: -162.731 bonds (distance) P-C4' energy: -158.373 flat angles C4'-P-C4' energy: -186.036 flat angles P-C4'-P energy: -105.990 tors. eta vs tors. theta energy: -197.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2202.161812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.161812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.161812 (E_RNA) where: Base-Base interactions energy: -1448.523 where: short stacking energy: -619.106 Base-Backbone interact. energy: -5.440 local terms energy: -748.198428 where: bonds (distance) C4'-P energy: -161.868 bonds (distance) P-C4' energy: -152.044 flat angles C4'-P-C4' energy: -161.336 flat angles P-C4'-P energy: -104.247 tors. eta vs tors. theta energy: -168.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2209.781317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.781317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.781317 (E_RNA) where: Base-Base interactions energy: -1431.491 where: short stacking energy: -665.987 Base-Backbone interact. energy: -3.498 local terms energy: -774.793173 where: bonds (distance) C4'-P energy: -151.796 bonds (distance) P-C4' energy: -165.123 flat angles C4'-P-C4' energy: -174.872 flat angles P-C4'-P energy: -92.498 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: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1610.308179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.308179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.308179 (E_RNA) where: Base-Base interactions energy: -959.361 where: short stacking energy: -470.779 Base-Backbone interact. energy: -0.700 local terms energy: -650.246529 where: bonds (distance) C4'-P energy: -130.753 bonds (distance) P-C4' energy: -159.814 flat angles C4'-P-C4' energy: -150.451 flat angles P-C4'-P energy: -99.843 tors. eta vs tors. theta energy: -109.385 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: 6, replica: 10 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1550.340662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.340662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.340662 (E_RNA) where: Base-Base interactions energy: -956.270 where: short stacking energy: -437.980 Base-Backbone interact. energy: -0.508 local terms energy: -593.562944 where: bonds (distance) C4'-P energy: -124.940 bonds (distance) P-C4' energy: -156.367 flat angles C4'-P-C4' energy: -143.944 flat angles P-C4'-P energy: -86.881 tors. eta vs tors. theta energy: -81.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1123.425601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.425601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.425601 (E_RNA) where: Base-Base interactions energy: -591.701 where: short stacking energy: -316.339 Base-Backbone interact. energy: -1.743 local terms energy: -529.982285 where: bonds (distance) C4'-P energy: -145.648 bonds (distance) P-C4' energy: -149.569 flat angles C4'-P-C4' energy: -127.167 flat angles P-C4'-P energy: -81.121 tors. eta vs tors. theta energy: -26.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1199.614903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.614903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.614903 (E_RNA) where: Base-Base interactions energy: -670.965 where: short stacking energy: -351.711 Base-Backbone interact. energy: 0.967 local terms energy: -529.616701 where: bonds (distance) C4'-P energy: -119.769 bonds (distance) P-C4' energy: -147.482 flat angles C4'-P-C4' energy: -141.741 flat angles P-C4'-P energy: -80.486 tors. eta vs tors. theta energy: -40.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -952.275958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.275958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.275958 (E_RNA) where: Base-Base interactions energy: -487.671 where: short stacking energy: -290.988 Base-Backbone interact. energy: -0.415 local terms energy: -464.190332 where: bonds (distance) C4'-P energy: -117.706 bonds (distance) P-C4' energy: -146.299 flat angles C4'-P-C4' energy: -111.977 flat angles P-C4'-P energy: -65.659 tors. eta vs tors. theta energy: -22.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -857.450707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.450707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.450707 (E_RNA) where: Base-Base interactions energy: -425.872 where: short stacking energy: -246.300 Base-Backbone interact. energy: 6.919 local terms energy: -438.497330 where: bonds (distance) C4'-P energy: -132.927 bonds (distance) P-C4' energy: -145.204 flat angles C4'-P-C4' energy: -115.131 flat angles P-C4'-P energy: -63.729 tors. eta vs tors. theta energy: 18.493 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: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2538.347292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.347292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.347292 (E_RNA) where: Base-Base interactions energy: -1703.066 where: short stacking energy: -783.351 Base-Backbone interact. energy: -0.904 local terms energy: -834.376821 where: bonds (distance) C4'-P energy: -154.080 bonds (distance) P-C4' energy: -156.430 flat angles C4'-P-C4' energy: -175.944 flat angles P-C4'-P energy: -122.158 tors. eta vs tors. theta energy: -225.765 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: 8 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2370.566218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.566218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.566218 (E_RNA) where: Base-Base interactions energy: -1603.944 where: short stacking energy: -696.950 Base-Backbone interact. energy: -4.896 local terms energy: -761.726318 where: bonds (distance) C4'-P energy: -149.541 bonds (distance) P-C4' energy: -137.681 flat angles C4'-P-C4' energy: -173.939 flat angles P-C4'-P energy: -107.687 tors. eta vs tors. theta energy: -192.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2301.254034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.254034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.254034 (E_RNA) where: Base-Base interactions energy: -1499.956 where: short stacking energy: -665.894 Base-Backbone interact. energy: -0.156 local terms energy: -801.141772 where: bonds (distance) C4'-P energy: -162.256 bonds (distance) P-C4' energy: -169.651 flat angles C4'-P-C4' energy: -188.390 flat angles P-C4'-P energy: -108.108 tors. eta vs tors. theta energy: -172.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2079.120856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.120856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.120856 (E_RNA) where: Base-Base interactions energy: -1355.100 where: short stacking energy: -592.077 Base-Backbone interact. energy: -4.810 local terms energy: -719.211200 where: bonds (distance) C4'-P energy: -157.083 bonds (distance) P-C4' energy: -135.585 flat angles C4'-P-C4' energy: -165.304 flat angles P-C4'-P energy: -100.413 tors. eta vs tors. theta energy: -160.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1680.586811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.586811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.586811 (E_RNA) where: Base-Base interactions energy: -1004.246 where: short stacking energy: -497.325 Base-Backbone interact. energy: 2.617 local terms energy: -678.957521 where: bonds (distance) C4'-P energy: -148.753 bonds (distance) P-C4' energy: -145.081 flat angles C4'-P-C4' energy: -167.019 flat angles P-C4'-P energy: -111.112 tors. eta vs tors. theta energy: -106.993 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: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1624.505763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.505763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.505763 (E_RNA) where: Base-Base interactions energy: -1003.211 where: short stacking energy: -481.729 Base-Backbone interact. energy: -1.540 local terms energy: -619.755032 where: bonds (distance) C4'-P energy: -131.431 bonds (distance) P-C4' energy: -130.867 flat angles C4'-P-C4' energy: -155.822 flat angles P-C4'-P energy: -94.446 tors. eta vs tors. theta energy: -107.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1245.511671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.511671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.511671 (E_RNA) where: Base-Base interactions energy: -653.638 where: short stacking energy: -353.646 Base-Backbone interact. energy: 1.683 local terms energy: -593.556191 where: bonds (distance) C4'-P energy: -149.228 bonds (distance) P-C4' energy: -155.101 flat angles C4'-P-C4' energy: -140.479 flat angles P-C4'-P energy: -91.744 tors. eta vs tors. theta energy: -57.004 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: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1093.783570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.783570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.783570 (E_RNA) where: Base-Base interactions energy: -555.143 where: short stacking energy: -281.654 Base-Backbone interact. energy: 4.283 local terms energy: -542.924378 where: bonds (distance) C4'-P energy: -131.104 bonds (distance) P-C4' energy: -143.222 flat angles C4'-P-C4' energy: -140.192 flat angles P-C4'-P energy: -84.838 tors. eta vs tors. theta energy: -43.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1000.751143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.751143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.751143 (E_RNA) where: Base-Base interactions energy: -486.738 where: short stacking energy: -269.098 Base-Backbone interact. energy: -1.328 local terms energy: -512.685206 where: bonds (distance) C4'-P energy: -130.065 bonds (distance) P-C4' energy: -142.263 flat angles C4'-P-C4' energy: -138.490 flat angles P-C4'-P energy: -64.469 tors. eta vs tors. theta energy: -37.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -769.713852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.713852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.713852 (E_RNA) where: Base-Base interactions energy: -369.496 where: short stacking energy: -207.673 Base-Backbone interact. energy: 5.758 local terms energy: -405.975815 where: bonds (distance) C4'-P energy: -116.982 bonds (distance) P-C4' energy: -141.845 flat angles C4'-P-C4' energy: -92.411 flat angles P-C4'-P energy: -70.520 tors. eta vs tors. theta energy: 15.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2527.111678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.111678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.111678 (E_RNA) where: Base-Base interactions energy: -1683.800 where: short stacking energy: -771.084 Base-Backbone interact. energy: -3.445 local terms energy: -839.866987 where: bonds (distance) C4'-P energy: -157.329 bonds (distance) P-C4' energy: -171.412 flat angles C4'-P-C4' energy: -179.554 flat angles P-C4'-P energy: -114.712 tors. eta vs tors. theta energy: -216.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2417.142952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.142952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.142952 (E_RNA) where: Base-Base interactions energy: -1583.302 where: short stacking energy: -694.713 Base-Backbone interact. energy: -3.840 local terms energy: -830.000810 where: bonds (distance) C4'-P energy: -156.486 bonds (distance) P-C4' energy: -181.940 flat angles C4'-P-C4' energy: -172.979 flat angles P-C4'-P energy: -117.261 tors. eta vs tors. theta energy: -201.336 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: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2324.405831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.405831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.405831 (E_RNA) where: Base-Base interactions energy: -1526.683 where: short stacking energy: -691.311 Base-Backbone interact. energy: -3.104 local terms energy: -794.618528 where: bonds (distance) C4'-P energy: -146.468 bonds (distance) P-C4' energy: -159.250 flat angles C4'-P-C4' energy: -185.695 flat angles P-C4'-P energy: -115.581 tors. eta vs tors. theta energy: -187.624 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: 7 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2057.856181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.856181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.856181 (E_RNA) where: Base-Base interactions energy: -1306.396 where: short stacking energy: -576.375 Base-Backbone interact. energy: 1.008 local terms energy: -752.468094 where: bonds (distance) C4'-P energy: -162.720 bonds (distance) P-C4' energy: -171.587 flat angles C4'-P-C4' energy: -154.013 flat angles P-C4'-P energy: -111.326 tors. eta vs tors. theta energy: -152.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1650.143608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.143608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.143608 (E_RNA) where: Base-Base interactions energy: -1003.359 where: short stacking energy: -468.998 Base-Backbone interact. energy: -0.168 local terms energy: -646.616799 where: bonds (distance) C4'-P energy: -129.049 bonds (distance) P-C4' energy: -160.771 flat angles C4'-P-C4' energy: -156.318 flat angles P-C4'-P energy: -99.297 tors. eta vs tors. theta energy: -101.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1677.298281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.298281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.298281 (E_RNA) where: Base-Base interactions energy: -1070.123 where: short stacking energy: -494.366 Base-Backbone interact. energy: -2.154 local terms energy: -605.022040 where: bonds (distance) C4'-P energy: -154.512 bonds (distance) P-C4' energy: -143.978 flat angles C4'-P-C4' energy: -136.128 flat angles P-C4'-P energy: -79.970 tors. eta vs tors. theta energy: -90.433 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: 1 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1291.138930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.138930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.138930 (E_RNA) where: Base-Base interactions energy: -743.241 where: short stacking energy: -399.923 Base-Backbone interact. energy: 1.706 local terms energy: -549.603627 where: bonds (distance) C4'-P energy: -125.712 bonds (distance) P-C4' energy: -136.812 flat angles C4'-P-C4' energy: -145.661 flat angles P-C4'-P energy: -81.588 tors. eta vs tors. theta energy: -59.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1079.982132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.982132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.982132 (E_RNA) where: Base-Base interactions energy: -608.200 where: short stacking energy: -305.505 Base-Backbone interact. energy: 1.299 local terms energy: -473.081116 where: bonds (distance) C4'-P energy: -132.703 bonds (distance) P-C4' energy: -142.468 flat angles C4'-P-C4' energy: -124.007 flat angles P-C4'-P energy: -72.138 tors. eta vs tors. theta energy: -1.766 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: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -964.810840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.810840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.810840 (E_RNA) where: Base-Base interactions energy: -485.877 where: short stacking energy: -297.555 Base-Backbone interact. energy: -1.957 local terms energy: -476.976661 where: bonds (distance) C4'-P energy: -125.237 bonds (distance) P-C4' energy: -138.279 flat angles C4'-P-C4' energy: -114.576 flat angles P-C4'-P energy: -86.077 tors. eta vs tors. theta energy: -12.808 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: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -873.266794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.266794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.266794 (E_RNA) where: Base-Base interactions energy: -452.552 where: short stacking energy: -239.040 Base-Backbone interact. energy: -0.270 local terms energy: -420.444825 where: bonds (distance) C4'-P energy: -141.664 bonds (distance) P-C4' energy: -139.967 flat angles C4'-P-C4' energy: -91.836 flat angles P-C4'-P energy: -58.762 tors. eta vs tors. theta energy: 11.784 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: 52 Temperature: 0.900000 Total energy: -2534.108408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.108408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.108408 (E_RNA) where: Base-Base interactions energy: -1711.043 where: short stacking energy: -736.909 Base-Backbone interact. energy: -4.772 local terms energy: -818.293759 where: bonds (distance) C4'-P energy: -151.476 bonds (distance) P-C4' energy: -169.133 flat angles C4'-P-C4' energy: -188.485 flat angles P-C4'-P energy: -123.860 tors. eta vs tors. theta energy: -185.341 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: 2, replica: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2422.421280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.421280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.421280 (E_RNA) where: Base-Base interactions energy: -1607.455 where: short stacking energy: -698.922 Base-Backbone interact. energy: -3.142 local terms energy: -811.823973 where: bonds (distance) C4'-P energy: -163.457 bonds (distance) P-C4' energy: -169.380 flat angles C4'-P-C4' energy: -176.325 flat angles P-C4'-P energy: -122.692 tors. eta vs tors. theta energy: -179.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2316.814860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.814860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.814860 (E_RNA) where: Base-Base interactions energy: -1517.975 where: short stacking energy: -683.915 Base-Backbone interact. energy: -0.282 local terms energy: -798.557720 where: bonds (distance) C4'-P energy: -157.144 bonds (distance) P-C4' energy: -156.951 flat angles C4'-P-C4' energy: -185.379 flat angles P-C4'-P energy: -113.803 tors. eta vs tors. theta energy: -185.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1970.415283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.415283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.415283 (E_RNA) where: Base-Base interactions energy: -1261.011 where: short stacking energy: -567.296 Base-Backbone interact. energy: -4.796 local terms energy: -704.608642 where: bonds (distance) C4'-P energy: -137.398 bonds (distance) P-C4' energy: -156.842 flat angles C4'-P-C4' energy: -161.785 flat angles P-C4'-P energy: -110.323 tors. eta vs tors. theta energy: -138.260 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: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1698.751757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.751757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.751757 (E_RNA) where: Base-Base interactions energy: -1042.879 where: short stacking energy: -533.837 Base-Backbone interact. energy: -1.337 local terms energy: -654.536109 where: bonds (distance) C4'-P energy: -140.684 bonds (distance) P-C4' energy: -142.234 flat angles C4'-P-C4' energy: -145.582 flat angles P-C4'-P energy: -114.967 tors. eta vs tors. theta energy: -111.070 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: 52 Temperature: 1.150000 Total energy: -1659.703511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.703511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.703511 (E_RNA) where: Base-Base interactions energy: -1060.050 where: short stacking energy: -470.530 Base-Backbone interact. energy: -1.316 local terms energy: -598.337483 where: bonds (distance) C4'-P energy: -137.462 bonds (distance) P-C4' energy: -136.529 flat angles C4'-P-C4' energy: -149.409 flat angles P-C4'-P energy: -88.868 tors. eta vs tors. theta energy: -86.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1352.857087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.857087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.857087 (E_RNA) where: Base-Base interactions energy: -788.809 where: short stacking energy: -383.690 Base-Backbone interact. energy: -1.140 local terms energy: -562.908828 where: bonds (distance) C4'-P energy: -136.724 bonds (distance) P-C4' energy: -145.858 flat angles C4'-P-C4' energy: -130.478 flat angles P-C4'-P energy: -93.147 tors. eta vs tors. theta energy: -56.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1158.301101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.301101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.301101 (E_RNA) where: Base-Base interactions energy: -633.309 where: short stacking energy: -341.893 Base-Backbone interact. energy: -3.136 local terms energy: -521.855575 where: bonds (distance) C4'-P energy: -126.693 bonds (distance) P-C4' energy: -153.685 flat angles C4'-P-C4' energy: -125.646 flat angles P-C4'-P energy: -75.176 tors. eta vs tors. theta energy: -40.656 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: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -945.627790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.627790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.627790 (E_RNA) where: Base-Base interactions energy: -506.679 where: short stacking energy: -267.894 Base-Backbone interact. energy: -2.608 local terms energy: -436.340410 where: bonds (distance) C4'-P energy: -125.596 bonds (distance) P-C4' energy: -116.772 flat angles C4'-P-C4' energy: -111.313 flat angles P-C4'-P energy: -82.147 tors. eta vs tors. theta energy: -0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -841.610847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.610847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.610847 (E_RNA) where: Base-Base interactions energy: -424.776 where: short stacking energy: -225.453 Base-Backbone interact. energy: -2.763 local terms energy: -414.071901 where: bonds (distance) C4'-P energy: -133.195 bonds (distance) P-C4' energy: -135.650 flat angles C4'-P-C4' energy: -116.042 flat angles P-C4'-P energy: -44.208 tors. eta vs tors. theta energy: 15.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2572.088149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.088149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.088149 (E_RNA) where: Base-Base interactions energy: -1730.183 where: short stacking energy: -759.037 Base-Backbone interact. energy: -0.536 local terms energy: -841.368596 where: bonds (distance) C4'-P energy: -173.278 bonds (distance) P-C4' energy: -172.245 flat angles C4'-P-C4' energy: -177.758 flat angles P-C4'-P energy: -112.936 tors. eta vs tors. theta energy: -205.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2372.674812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.674812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.674812 (E_RNA) where: Base-Base interactions energy: -1562.771 where: short stacking energy: -708.830 Base-Backbone interact. energy: -1.054 local terms energy: -808.849919 where: bonds (distance) C4'-P energy: -161.027 bonds (distance) P-C4' energy: -165.279 flat angles C4'-P-C4' energy: -179.902 flat angles P-C4'-P energy: -116.894 tors. eta vs tors. theta energy: -185.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2304.646608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.646608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.646608 (E_RNA) where: Base-Base interactions energy: -1541.574 where: short stacking energy: -683.294 Base-Backbone interact. energy: -4.433 local terms energy: -758.640121 where: bonds (distance) C4'-P energy: -152.365 bonds (distance) P-C4' energy: -159.336 flat angles C4'-P-C4' energy: -168.340 flat angles P-C4'-P energy: -101.479 tors. eta vs tors. theta energy: -177.120 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: 7 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2037.695313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.695313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.695313 (E_RNA) where: Base-Base interactions energy: -1331.586 where: short stacking energy: -565.329 Base-Backbone interact. energy: 0.080 local terms energy: -706.188626 where: bonds (distance) C4'-P energy: -153.374 bonds (distance) P-C4' energy: -132.438 flat angles C4'-P-C4' energy: -189.018 flat angles P-C4'-P energy: -108.166 tors. eta vs tors. theta energy: -123.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1762.629971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.629971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.629971 (E_RNA) where: Base-Base interactions energy: -1097.096 where: short stacking energy: -518.197 Base-Backbone interact. energy: -3.571 local terms energy: -661.962473 where: bonds (distance) C4'-P energy: -124.524 bonds (distance) P-C4' energy: -148.488 flat angles C4'-P-C4' energy: -159.219 flat angles P-C4'-P energy: -112.863 tors. eta vs tors. theta energy: -116.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1743.507504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.507504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.507504 (E_RNA) where: Base-Base interactions energy: -1075.675 where: short stacking energy: -470.340 Base-Backbone interact. energy: -5.565 local terms energy: -662.267399 where: bonds (distance) C4'-P energy: -145.187 bonds (distance) P-C4' energy: -148.053 flat angles C4'-P-C4' energy: -153.587 flat angles P-C4'-P energy: -104.572 tors. eta vs tors. theta energy: -110.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1333.367756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.367756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.367756 (E_RNA) where: Base-Base interactions energy: -789.902 where: short stacking energy: -380.953 Base-Backbone interact. energy: -2.044 local terms energy: -541.422326 where: bonds (distance) C4'-P energy: -148.065 bonds (distance) P-C4' energy: -134.875 flat angles C4'-P-C4' energy: -113.632 flat angles P-C4'-P energy: -99.669 tors. eta vs tors. theta energy: -45.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1148.131928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.131928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.131928 (E_RNA) where: Base-Base interactions energy: -614.881 where: short stacking energy: -337.338 Base-Backbone interact. energy: 2.940 local terms energy: -536.190879 where: bonds (distance) C4'-P energy: -134.891 bonds (distance) P-C4' energy: -142.644 flat angles C4'-P-C4' energy: -131.368 flat angles P-C4'-P energy: -88.309 tors. eta vs tors. theta energy: -38.978 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: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -936.988578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.988578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.988578 (E_RNA) where: Base-Base interactions energy: -483.318 where: short stacking energy: -274.605 Base-Backbone interact. energy: 5.611 local terms energy: -459.281252 where: bonds (distance) C4'-P energy: -101.644 bonds (distance) P-C4' energy: -101.788 flat angles C4'-P-C4' energy: -148.317 flat angles P-C4'-P energy: -86.246 tors. eta vs tors. theta energy: -21.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -770.520496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.520496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.520496 (E_RNA) where: Base-Base interactions energy: -396.729 where: short stacking energy: -203.658 Base-Backbone interact. energy: 0.814 local terms energy: -374.604723 where: bonds (distance) C4'-P energy: -113.278 bonds (distance) P-C4' energy: -131.031 flat angles C4'-P-C4' energy: -128.662 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: 37.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2589.131283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.131283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.131283 (E_RNA) where: Base-Base interactions energy: -1757.087 where: short stacking energy: -771.959 Base-Backbone interact. energy: -1.583 local terms energy: -830.461173 where: bonds (distance) C4'-P energy: -148.778 bonds (distance) P-C4' energy: -167.857 flat angles C4'-P-C4' energy: -182.821 flat angles P-C4'-P energy: -124.833 tors. eta vs tors. theta energy: -206.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2375.778696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.778696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.778696 (E_RNA) where: Base-Base interactions energy: -1591.997 where: short stacking energy: -679.094 Base-Backbone interact. energy: 0.374 local terms energy: -784.155908 where: bonds (distance) C4'-P energy: -169.890 bonds (distance) P-C4' energy: -155.470 flat angles C4'-P-C4' energy: -167.365 flat angles P-C4'-P energy: -105.601 tors. eta vs tors. theta energy: -185.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2366.392335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.392335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.392335 (E_RNA) where: Base-Base interactions energy: -1583.344 where: short stacking energy: -704.403 Base-Backbone interact. energy: 1.512 local terms energy: -784.559614 where: bonds (distance) C4'-P energy: -141.730 bonds (distance) P-C4' energy: -162.523 flat angles C4'-P-C4' energy: -172.597 flat angles P-C4'-P energy: -111.004 tors. eta vs tors. theta energy: -196.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2059.671064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.671064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.671064 (E_RNA) where: Base-Base interactions energy: -1339.736 where: short stacking energy: -599.549 Base-Backbone interact. energy: -1.106 local terms energy: -718.829187 where: bonds (distance) C4'-P energy: -145.947 bonds (distance) P-C4' energy: -158.103 flat angles C4'-P-C4' energy: -158.827 flat angles P-C4'-P energy: -112.090 tors. eta vs tors. theta energy: -143.862 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: 5, replica: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1846.786630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.786630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.786630 (E_RNA) where: Base-Base interactions energy: -1148.212 where: short stacking energy: -546.812 Base-Backbone interact. energy: -1.924 local terms energy: -696.650570 where: bonds (distance) C4'-P energy: -141.142 bonds (distance) P-C4' energy: -156.846 flat angles C4'-P-C4' energy: -164.624 flat angles P-C4'-P energy: -111.616 tors. eta vs tors. theta energy: -122.422 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: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1693.127807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.127807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.127807 (E_RNA) where: Base-Base interactions energy: -1082.713 where: short stacking energy: -481.585 Base-Backbone interact. energy: 5.485 local terms energy: -615.899797 where: bonds (distance) C4'-P energy: -130.462 bonds (distance) P-C4' energy: -151.680 flat angles C4'-P-C4' energy: -141.323 flat angles P-C4'-P energy: -86.777 tors. eta vs tors. theta energy: -105.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1380.285966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.285966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.285966 (E_RNA) where: Base-Base interactions energy: -807.420 where: short stacking energy: -372.584 Base-Backbone interact. energy: 1.139 local terms energy: -574.005043 where: bonds (distance) C4'-P energy: -162.053 bonds (distance) P-C4' energy: -132.851 flat angles C4'-P-C4' energy: -140.087 flat angles P-C4'-P energy: -85.302 tors. eta vs tors. theta energy: -53.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1060.713557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.713557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.713557 (E_RNA) where: Base-Base interactions energy: -553.024 where: short stacking energy: -313.022 Base-Backbone interact. energy: -1.266 local terms energy: -506.423395 where: bonds (distance) C4'-P energy: -125.693 bonds (distance) P-C4' energy: -148.576 flat angles C4'-P-C4' energy: -112.457 flat angles P-C4'-P energy: -80.014 tors. eta vs tors. theta energy: -39.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -905.700617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.700617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.700617 (E_RNA) where: Base-Base interactions energy: -442.594 where: short stacking energy: -254.906 Base-Backbone interact. energy: 2.450 local terms energy: -465.556482 where: bonds (distance) C4'-P energy: -110.410 bonds (distance) P-C4' energy: -154.980 flat angles C4'-P-C4' energy: -118.407 flat angles P-C4'-P energy: -73.389 tors. eta vs tors. theta energy: -8.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -845.272307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.272307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.272307 (E_RNA) where: Base-Base interactions energy: -390.668 where: short stacking energy: -229.405 Base-Backbone interact. energy: 4.032 local terms energy: -458.635570 where: bonds (distance) C4'-P energy: -121.573 bonds (distance) P-C4' energy: -145.042 flat angles C4'-P-C4' energy: -133.768 flat angles P-C4'-P energy: -60.065 tors. eta vs tors. theta energy: 1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2574.208118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.208118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.208118 (E_RNA) where: Base-Base interactions energy: -1709.813 where: short stacking energy: -753.043 Base-Backbone interact. energy: -3.782 local terms energy: -860.612679 where: bonds (distance) C4'-P energy: -168.027 bonds (distance) P-C4' energy: -176.307 flat angles C4'-P-C4' energy: -185.207 flat angles P-C4'-P energy: -131.807 tors. eta vs tors. theta energy: -199.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2375.831849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.831849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.831849 (E_RNA) where: Base-Base interactions energy: -1588.229 where: short stacking energy: -678.277 Base-Backbone interact. energy: -2.287 local terms energy: -785.316294 where: bonds (distance) C4'-P energy: -159.947 bonds (distance) P-C4' energy: -163.830 flat angles C4'-P-C4' energy: -183.771 flat angles P-C4'-P energy: -98.670 tors. eta vs tors. theta energy: -179.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2294.399760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.399760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.399760 (E_RNA) where: Base-Base interactions energy: -1518.374 where: short stacking energy: -656.889 Base-Backbone interact. energy: -5.998 local terms energy: -770.027548 where: bonds (distance) C4'-P energy: -142.175 bonds (distance) P-C4' energy: -158.947 flat angles C4'-P-C4' energy: -164.783 flat angles P-C4'-P energy: -113.810 tors. eta vs tors. theta energy: -190.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2101.496757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.496757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.496757 (E_RNA) where: Base-Base interactions energy: -1365.655 where: short stacking energy: -635.670 Base-Backbone interact. energy: -2.253 local terms energy: -733.588452 where: bonds (distance) C4'-P energy: -159.813 bonds (distance) P-C4' energy: -151.506 flat angles C4'-P-C4' energy: -155.868 flat angles P-C4'-P energy: -104.364 tors. eta vs tors. theta energy: -162.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1861.826811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.826811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.826811 (E_RNA) where: Base-Base interactions energy: -1176.446 where: short stacking energy: -534.135 Base-Backbone interact. energy: -4.319 local terms energy: -681.061755 where: bonds (distance) C4'-P energy: -158.419 bonds (distance) P-C4' energy: -146.548 flat angles C4'-P-C4' energy: -158.232 flat angles P-C4'-P energy: -98.635 tors. eta vs tors. theta energy: -119.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1671.755941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.755941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.755941 (E_RNA) where: Base-Base interactions energy: -1033.713 where: short stacking energy: -458.716 Base-Backbone interact. energy: 0.494 local terms energy: -638.537012 where: bonds (distance) C4'-P energy: -133.662 bonds (distance) P-C4' energy: -149.919 flat angles C4'-P-C4' energy: -144.590 flat angles P-C4'-P energy: -110.096 tors. eta vs tors. theta energy: -100.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1349.753991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.753991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.753991 (E_RNA) where: Base-Base interactions energy: -824.600 where: short stacking energy: -405.724 Base-Backbone interact. energy: 0.984 local terms energy: -526.138193 where: bonds (distance) C4'-P energy: -141.332 bonds (distance) P-C4' energy: -122.203 flat angles C4'-P-C4' energy: -127.709 flat angles P-C4'-P energy: -73.027 tors. eta vs tors. theta energy: -61.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1117.601768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.601768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.601768 (E_RNA) where: Base-Base interactions energy: -588.021 where: short stacking energy: -308.941 Base-Backbone interact. energy: -0.981 local terms energy: -528.599686 where: bonds (distance) C4'-P energy: -140.405 bonds (distance) P-C4' energy: -142.777 flat angles C4'-P-C4' energy: -131.788 flat angles P-C4'-P energy: -76.324 tors. eta vs tors. theta energy: -37.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -928.358356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.358356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.358356 (E_RNA) where: Base-Base interactions energy: -456.765 where: short stacking energy: -245.449 Base-Backbone interact. energy: 2.654 local terms energy: -474.246529 where: bonds (distance) C4'-P energy: -136.247 bonds (distance) P-C4' energy: -128.381 flat angles C4'-P-C4' energy: -146.861 flat angles P-C4'-P energy: -77.174 tors. eta vs tors. theta energy: 14.417 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: 6 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -823.005756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.005756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.005756 (E_RNA) where: Base-Base interactions energy: -399.686 where: short stacking energy: -228.874 Base-Backbone interact. energy: 1.470 local terms energy: -424.790480 where: bonds (distance) C4'-P energy: -128.544 bonds (distance) P-C4' energy: -132.943 flat angles C4'-P-C4' energy: -106.801 flat angles P-C4'-P energy: -77.114 tors. eta vs tors. theta energy: 20.611 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: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2604.879652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.879652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.879652 (E_RNA) where: Base-Base interactions energy: -1757.350 where: short stacking energy: -743.802 Base-Backbone interact. energy: -2.116 local terms energy: -845.414047 where: bonds (distance) C4'-P energy: -155.997 bonds (distance) P-C4' energy: -176.325 flat angles C4'-P-C4' energy: -172.710 flat angles P-C4'-P energy: -133.542 tors. eta vs tors. theta energy: -206.841 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: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2353.116621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.116621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.116621 (E_RNA) where: Base-Base interactions energy: -1562.521 where: short stacking energy: -669.659 Base-Backbone interact. energy: -4.035 local terms energy: -786.560836 where: bonds (distance) C4'-P energy: -158.731 bonds (distance) P-C4' energy: -158.021 flat angles C4'-P-C4' energy: -174.306 flat angles P-C4'-P energy: -112.148 tors. eta vs tors. theta energy: -183.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2392.693900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.693900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.693900 (E_RNA) where: Base-Base interactions energy: -1579.258 where: short stacking energy: -706.597 Base-Backbone interact. energy: 0.929 local terms energy: -814.365214 where: bonds (distance) C4'-P energy: -160.732 bonds (distance) P-C4' energy: -156.740 flat angles C4'-P-C4' energy: -174.506 flat angles P-C4'-P energy: -117.684 tors. eta vs tors. theta energy: -204.703 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: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1975.636559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.636559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.636559 (E_RNA) where: Base-Base interactions energy: -1304.445 where: short stacking energy: -584.533 Base-Backbone interact. energy: -5.545 local terms energy: -665.646542 where: bonds (distance) C4'-P energy: -121.455 bonds (distance) P-C4' energy: -142.077 flat angles C4'-P-C4' energy: -148.204 flat angles P-C4'-P energy: -97.914 tors. eta vs tors. theta energy: -155.997 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: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1870.060025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.060025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.060025 (E_RNA) where: Base-Base interactions energy: -1172.267 where: short stacking energy: -558.173 Base-Backbone interact. energy: -3.136 local terms energy: -694.657305 where: bonds (distance) C4'-P energy: -152.526 bonds (distance) P-C4' energy: -135.239 flat angles C4'-P-C4' energy: -162.206 flat angles P-C4'-P energy: -104.400 tors. eta vs tors. theta energy: -140.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1698.082569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.082569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.082569 (E_RNA) where: Base-Base interactions energy: -1086.033 where: short stacking energy: -480.412 Base-Backbone interact. energy: 0.060 local terms energy: -612.109470 where: bonds (distance) C4'-P energy: -129.181 bonds (distance) P-C4' energy: -138.728 flat angles C4'-P-C4' energy: -142.601 flat angles P-C4'-P energy: -96.955 tors. eta vs tors. theta energy: -104.645 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: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1375.355726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.355726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.355726 (E_RNA) where: Base-Base interactions energy: -840.077 where: short stacking energy: -411.724 Base-Backbone interact. energy: 4.120 local terms energy: -539.398908 where: bonds (distance) C4'-P energy: -117.048 bonds (distance) P-C4' energy: -129.602 flat angles C4'-P-C4' energy: -128.528 flat angles P-C4'-P energy: -87.323 tors. eta vs tors. theta energy: -76.898 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: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1061.328758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.328758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.328758 (E_RNA) where: Base-Base interactions energy: -544.990 where: short stacking energy: -326.621 Base-Backbone interact. energy: 7.271 local terms energy: -523.609253 where: bonds (distance) C4'-P energy: -143.377 bonds (distance) P-C4' energy: -140.631 flat angles C4'-P-C4' energy: -125.669 flat angles P-C4'-P energy: -66.367 tors. eta vs tors. theta energy: -47.565 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: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -889.956861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.956861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.956861 (E_RNA) where: Base-Base interactions energy: -426.230 where: short stacking energy: -250.577 Base-Backbone interact. energy: 2.339 local terms energy: -466.065189 where: bonds (distance) C4'-P energy: -130.327 bonds (distance) P-C4' energy: -149.826 flat angles C4'-P-C4' energy: -117.537 flat angles P-C4'-P energy: -72.688 tors. eta vs tors. theta energy: 4.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -844.406765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.406765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.406765 (E_RNA) where: Base-Base interactions energy: -399.097 where: short stacking energy: -218.210 Base-Backbone interact. energy: -3.162 local terms energy: -442.146932 where: bonds (distance) C4'-P energy: -120.094 bonds (distance) P-C4' energy: -156.602 flat angles C4'-P-C4' energy: -126.177 flat angles P-C4'-P energy: -56.061 tors. eta vs tors. theta energy: 16.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2602.295393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.295393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.295393 (E_RNA) where: Base-Base interactions energy: -1757.927 where: short stacking energy: -717.107 Base-Backbone interact. energy: -0.007 local terms energy: -844.360777 where: bonds (distance) C4'-P energy: -164.304 bonds (distance) P-C4' energy: -166.261 flat angles C4'-P-C4' energy: -184.484 flat angles P-C4'-P energy: -126.124 tors. eta vs tors. theta energy: -203.187 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: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2475.880850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.880850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.880850 (E_RNA) where: Base-Base interactions energy: -1661.973 where: short stacking energy: -774.141 Base-Backbone interact. energy: 1.230 local terms energy: -815.137316 where: bonds (distance) C4'-P energy: -146.835 bonds (distance) P-C4' energy: -163.943 flat angles C4'-P-C4' energy: -168.992 flat angles P-C4'-P energy: -125.505 tors. eta vs tors. theta energy: -209.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2323.185459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.185459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.185459 (E_RNA) where: Base-Base interactions energy: -1510.511 where: short stacking energy: -660.017 Base-Backbone interact. energy: -5.298 local terms energy: -807.376344 where: bonds (distance) C4'-P energy: -170.225 bonds (distance) P-C4' energy: -162.381 flat angles C4'-P-C4' energy: -180.702 flat angles P-C4'-P energy: -115.524 tors. eta vs tors. theta energy: -178.544 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: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2102.821354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.821354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.821354 (E_RNA) where: Base-Base interactions energy: -1354.606 where: short stacking energy: -621.249 Base-Backbone interact. energy: -2.817 local terms energy: -745.398254 where: bonds (distance) C4'-P energy: -153.664 bonds (distance) P-C4' energy: -149.653 flat angles C4'-P-C4' energy: -159.582 flat angles P-C4'-P energy: -109.399 tors. eta vs tors. theta energy: -173.100 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: 10 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1852.747261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.747261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.747261 (E_RNA) where: Base-Base interactions energy: -1168.105 where: short stacking energy: -556.512 Base-Backbone interact. energy: -4.702 local terms energy: -679.940594 where: bonds (distance) C4'-P energy: -145.381 bonds (distance) P-C4' energy: -153.706 flat angles C4'-P-C4' energy: -153.984 flat angles P-C4'-P energy: -96.117 tors. eta vs tors. theta energy: -130.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1677.880182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.880182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.880182 (E_RNA) where: Base-Base interactions energy: -1046.734 where: short stacking energy: -489.286 Base-Backbone interact. energy: 3.391 local terms energy: -634.536884 where: bonds (distance) C4'-P energy: -142.395 bonds (distance) P-C4' energy: -134.324 flat angles C4'-P-C4' energy: -152.289 flat angles P-C4'-P energy: -87.616 tors. eta vs tors. theta energy: -117.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1359.473064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.473064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.473064 (E_RNA) where: Base-Base interactions energy: -797.877 where: short stacking energy: -398.443 Base-Backbone interact. energy: 0.449 local terms energy: -562.044443 where: bonds (distance) C4'-P energy: -108.523 bonds (distance) P-C4' energy: -147.234 flat angles C4'-P-C4' energy: -136.390 flat angles P-C4'-P energy: -100.975 tors. eta vs tors. theta energy: -68.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1050.399172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.399172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.399172 (E_RNA) where: Base-Base interactions energy: -572.308 where: short stacking energy: -343.075 Base-Backbone interact. energy: 2.165 local terms energy: -480.256594 where: bonds (distance) C4'-P energy: -123.743 bonds (distance) P-C4' energy: -146.059 flat angles C4'-P-C4' energy: -107.573 flat angles P-C4'-P energy: -66.249 tors. eta vs tors. theta energy: -36.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -873.881498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.881498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.881498 (E_RNA) where: Base-Base interactions energy: -422.639 where: short stacking energy: -254.764 Base-Backbone interact. energy: 7.261 local terms energy: -458.503632 where: bonds (distance) C4'-P energy: -131.209 bonds (distance) P-C4' energy: -141.943 flat angles C4'-P-C4' energy: -112.532 flat angles P-C4'-P energy: -71.822 tors. eta vs tors. theta energy: -0.998 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: 6 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -820.699185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.699185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.699185 (E_RNA) where: Base-Base interactions energy: -392.118 where: short stacking energy: -227.085 Base-Backbone interact. energy: 7.566 local terms energy: -436.147649 where: bonds (distance) C4'-P energy: -123.348 bonds (distance) P-C4' energy: -133.212 flat angles C4'-P-C4' energy: -116.603 flat angles P-C4'-P energy: -78.324 tors. eta vs tors. theta energy: 15.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2605.121559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.121559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.121559 (E_RNA) where: Base-Base interactions energy: -1791.449 where: short stacking energy: -753.341 Base-Backbone interact. energy: -3.348 local terms energy: -810.324409 where: bonds (distance) C4'-P energy: -147.504 bonds (distance) P-C4' energy: -173.369 flat angles C4'-P-C4' energy: -181.514 flat angles P-C4'-P energy: -112.566 tors. eta vs tors. theta energy: -195.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2398.141935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.141935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.141935 (E_RNA) where: Base-Base interactions energy: -1577.430 where: short stacking energy: -711.524 Base-Backbone interact. energy: -1.896 local terms energy: -818.815919 where: bonds (distance) C4'-P energy: -160.669 bonds (distance) P-C4' energy: -157.845 flat angles C4'-P-C4' energy: -175.054 flat angles P-C4'-P energy: -126.792 tors. eta vs tors. theta energy: -198.456 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: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2232.847391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.847391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.847391 (E_RNA) where: Base-Base interactions energy: -1458.294 where: short stacking energy: -625.805 Base-Backbone interact. energy: -6.390 local terms energy: -768.163337 where: bonds (distance) C4'-P energy: -153.169 bonds (distance) P-C4' energy: -162.856 flat angles C4'-P-C4' energy: -173.149 flat angles P-C4'-P energy: -103.931 tors. eta vs tors. theta energy: -175.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2093.780055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.780055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.780055 (E_RNA) where: Base-Base interactions energy: -1327.912 where: short stacking energy: -596.659 Base-Backbone interact. energy: -1.134 local terms energy: -764.734025 where: bonds (distance) C4'-P energy: -148.123 bonds (distance) P-C4' energy: -161.539 flat angles C4'-P-C4' energy: -167.514 flat angles P-C4'-P energy: -112.811 tors. eta vs tors. theta energy: -174.747 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: 5, replica: 10 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1876.074053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.074053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.074053 (E_RNA) where: Base-Base interactions energy: -1189.839 where: short stacking energy: -567.418 Base-Backbone interact. energy: -1.161 local terms energy: -685.073894 where: bonds (distance) C4'-P energy: -138.093 bonds (distance) P-C4' energy: -168.530 flat angles C4'-P-C4' energy: -162.491 flat angles P-C4'-P energy: -79.771 tors. eta vs tors. theta energy: -136.189 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: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1674.049430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.049430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.049430 (E_RNA) where: Base-Base interactions energy: -1005.315 where: short stacking energy: -465.968 Base-Backbone interact. energy: -0.655 local terms energy: -668.078599 where: bonds (distance) C4'-P energy: -136.094 bonds (distance) P-C4' energy: -157.127 flat angles C4'-P-C4' energy: -163.583 flat angles P-C4'-P energy: -100.787 tors. eta vs tors. theta energy: -110.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1530.790077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.790077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.790077 (E_RNA) where: Base-Base interactions energy: -927.776 where: short stacking energy: -441.530 Base-Backbone interact. energy: -1.469 local terms energy: -601.545523 where: bonds (distance) C4'-P energy: -143.244 bonds (distance) P-C4' energy: -136.599 flat angles C4'-P-C4' energy: -151.355 flat angles P-C4'-P energy: -64.057 tors. eta vs tors. theta energy: -106.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1045.592187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.592187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.592187 (E_RNA) where: Base-Base interactions energy: -537.788 where: short stacking energy: -320.503 Base-Backbone interact. energy: -2.382 local terms energy: -505.422682 where: bonds (distance) C4'-P energy: -143.747 bonds (distance) P-C4' energy: -153.228 flat angles C4'-P-C4' energy: -114.859 flat angles P-C4'-P energy: -71.841 tors. eta vs tors. theta energy: -21.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -988.728740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.728740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.728740 (E_RNA) where: Base-Base interactions energy: -504.350 where: short stacking energy: -289.460 Base-Backbone interact. energy: 2.794 local terms energy: -487.173101 where: bonds (distance) C4'-P energy: -130.138 bonds (distance) P-C4' energy: -129.445 flat angles C4'-P-C4' energy: -130.857 flat angles P-C4'-P energy: -77.140 tors. eta vs tors. theta energy: -19.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -814.423795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.423795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.423795 (E_RNA) where: Base-Base interactions energy: -401.235 where: short stacking energy: -213.162 Base-Backbone interact. energy: 0.087 local terms energy: -413.276615 where: bonds (distance) C4'-P energy: -113.641 bonds (distance) P-C4' energy: -127.893 flat angles C4'-P-C4' energy: -134.848 flat angles P-C4'-P energy: -36.209 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2607.829997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.829997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.829997 (E_RNA) where: Base-Base interactions energy: -1759.048 where: short stacking energy: -752.294 Base-Backbone interact. energy: 0.780 local terms energy: -849.561460 where: bonds (distance) C4'-P energy: -167.385 bonds (distance) P-C4' energy: -171.367 flat angles C4'-P-C4' energy: -184.529 flat angles P-C4'-P energy: -130.331 tors. eta vs tors. theta energy: -195.949 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: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2398.726420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.726420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.726420 (E_RNA) where: Base-Base interactions energy: -1590.450 where: short stacking energy: -727.877 Base-Backbone interact. energy: 1.014 local terms energy: -809.289735 where: bonds (distance) C4'-P energy: -146.316 bonds (distance) P-C4' energy: -159.632 flat angles C4'-P-C4' energy: -185.370 flat angles P-C4'-P energy: -123.203 tors. eta vs tors. theta energy: -194.769 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: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2271.363552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.363552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.363552 (E_RNA) where: Base-Base interactions energy: -1508.729 where: short stacking energy: -664.943 Base-Backbone interact. energy: -3.177 local terms energy: -759.457600 where: bonds (distance) C4'-P energy: -159.224 bonds (distance) P-C4' energy: -151.606 flat angles C4'-P-C4' energy: -167.121 flat angles P-C4'-P energy: -107.007 tors. eta vs tors. theta energy: -174.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2104.081128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.081128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.081128 (E_RNA) where: Base-Base interactions energy: -1351.994 where: short stacking energy: -609.255 Base-Backbone interact. energy: -2.341 local terms energy: -749.745868 where: bonds (distance) C4'-P energy: -150.991 bonds (distance) P-C4' energy: -170.615 flat angles C4'-P-C4' energy: -156.607 flat angles P-C4'-P energy: -100.241 tors. eta vs tors. theta energy: -171.292 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: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1935.636897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.636897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.636897 (E_RNA) where: Base-Base interactions energy: -1234.316 where: short stacking energy: -583.897 Base-Backbone interact. energy: -2.323 local terms energy: -698.997853 where: bonds (distance) C4'-P energy: -134.745 bonds (distance) P-C4' energy: -153.377 flat angles C4'-P-C4' energy: -156.887 flat angles P-C4'-P energy: -113.028 tors. eta vs tors. theta energy: -140.961 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: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1668.913428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.913428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.913428 (E_RNA) where: Base-Base interactions energy: -1024.544 where: short stacking energy: -456.049 Base-Backbone interact. energy: -0.932 local terms energy: -643.437764 where: bonds (distance) C4'-P energy: -147.150 bonds (distance) P-C4' energy: -147.205 flat angles C4'-P-C4' energy: -160.538 flat angles P-C4'-P energy: -95.387 tors. eta vs tors. theta energy: -93.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1495.812205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.812205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.812205 (E_RNA) where: Base-Base interactions energy: -962.408 where: short stacking energy: -464.005 Base-Backbone interact. energy: -1.379 local terms energy: -532.024561 where: bonds (distance) C4'-P energy: -113.019 bonds (distance) P-C4' energy: -118.911 flat angles C4'-P-C4' energy: -133.517 flat angles P-C4'-P energy: -86.940 tors. eta vs tors. theta energy: -79.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1021.582820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.582820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.582820 (E_RNA) where: Base-Base interactions energy: -542.722 where: short stacking energy: -286.946 Base-Backbone interact. energy: 3.995 local terms energy: -482.855658 where: bonds (distance) C4'-P energy: -128.341 bonds (distance) P-C4' energy: -154.200 flat angles C4'-P-C4' energy: -128.786 flat angles P-C4'-P energy: -48.683 tors. eta vs tors. theta energy: -22.846 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: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -943.444897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.444897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.444897 (E_RNA) where: Base-Base interactions energy: -484.345 where: short stacking energy: -236.432 Base-Backbone interact. energy: 5.245 local terms energy: -464.345490 where: bonds (distance) C4'-P energy: -120.219 bonds (distance) P-C4' energy: -139.579 flat angles C4'-P-C4' energy: -121.150 flat angles P-C4'-P energy: -73.312 tors. eta vs tors. theta energy: -10.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -804.874868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.874868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.874868 (E_RNA) where: Base-Base interactions energy: -407.245 where: short stacking energy: -269.341 Base-Backbone interact. energy: 4.392 local terms energy: -402.021720 where: bonds (distance) C4'-P energy: -107.689 bonds (distance) P-C4' energy: -134.355 flat angles C4'-P-C4' energy: -107.445 flat angles P-C4'-P energy: -56.015 tors. eta vs tors. theta energy: 3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2647.318711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.318711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.318711 (E_RNA) where: Base-Base interactions energy: -1802.957 where: short stacking energy: -774.011 Base-Backbone interact. energy: -1.809 local terms energy: -842.552823 where: bonds (distance) C4'-P energy: -167.694 bonds (distance) P-C4' energy: -159.708 flat angles C4'-P-C4' energy: -180.262 flat angles P-C4'-P energy: -125.331 tors. eta vs tors. theta energy: -209.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2446.916407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.916407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.916407 (E_RNA) where: Base-Base interactions energy: -1629.525 where: short stacking energy: -729.449 Base-Backbone interact. energy: -2.259 local terms energy: -815.132700 where: bonds (distance) C4'-P energy: -153.763 bonds (distance) P-C4' energy: -172.355 flat angles C4'-P-C4' energy: -180.912 flat angles P-C4'-P energy: -112.759 tors. eta vs tors. theta energy: -195.343 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: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2286.449130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.449130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.449130 (E_RNA) where: Base-Base interactions energy: -1529.929 where: short stacking energy: -673.112 Base-Backbone interact. energy: -0.319 local terms energy: -756.201186 where: bonds (distance) C4'-P energy: -169.840 bonds (distance) P-C4' energy: -153.166 flat angles C4'-P-C4' energy: -155.607 flat angles P-C4'-P energy: -102.926 tors. eta vs tors. theta energy: -174.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2151.808903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.808903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.808903 (E_RNA) where: Base-Base interactions energy: -1375.862 where: short stacking energy: -625.788 Base-Backbone interact. energy: -0.568 local terms energy: -775.379325 where: bonds (distance) C4'-P energy: -146.103 bonds (distance) P-C4' energy: -162.049 flat angles C4'-P-C4' energy: -185.182 flat angles P-C4'-P energy: -108.835 tors. eta vs tors. theta energy: -173.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1927.466057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.466057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.466057 (E_RNA) where: Base-Base interactions energy: -1240.330 where: short stacking energy: -562.560 Base-Backbone interact. energy: 2.219 local terms energy: -689.354915 where: bonds (distance) C4'-P energy: -146.043 bonds (distance) P-C4' energy: -146.180 flat angles C4'-P-C4' energy: -155.331 flat angles P-C4'-P energy: -108.760 tors. eta vs tors. theta energy: -133.041 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: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1633.424696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.424696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.424696 (E_RNA) where: Base-Base interactions energy: -1021.531 where: short stacking energy: -453.369 Base-Backbone interact. energy: -2.291 local terms energy: -609.603510 where: bonds (distance) C4'-P energy: -137.607 bonds (distance) P-C4' energy: -146.777 flat angles C4'-P-C4' energy: -145.862 flat angles P-C4'-P energy: -93.989 tors. eta vs tors. theta energy: -85.368 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: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1427.631510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.631510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.631510 (E_RNA) where: Base-Base interactions energy: -849.978 where: short stacking energy: -412.048 Base-Backbone interact. energy: -3.174 local terms energy: -574.479520 where: bonds (distance) C4'-P energy: -126.413 bonds (distance) P-C4' energy: -147.182 flat angles C4'-P-C4' energy: -152.028 flat angles P-C4'-P energy: -77.145 tors. eta vs tors. theta energy: -71.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1010.395664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.395664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.395664 (E_RNA) where: Base-Base interactions energy: -479.787 where: short stacking energy: -262.185 Base-Backbone interact. energy: 5.997 local terms energy: -536.605438 where: bonds (distance) C4'-P energy: -140.711 bonds (distance) P-C4' energy: -159.548 flat angles C4'-P-C4' energy: -140.766 flat angles P-C4'-P energy: -74.628 tors. eta vs tors. theta energy: -20.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -981.231340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.231340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.231340 (E_RNA) where: Base-Base interactions energy: -506.614 where: short stacking energy: -299.110 Base-Backbone interact. energy: -0.219 local terms energy: -474.398864 where: bonds (distance) C4'-P energy: -125.188 bonds (distance) P-C4' energy: -132.497 flat angles C4'-P-C4' energy: -135.810 flat angles P-C4'-P energy: -73.889 tors. eta vs tors. theta energy: -7.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -792.725867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.725867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.725867 (E_RNA) where: Base-Base interactions energy: -337.213 where: short stacking energy: -195.873 Base-Backbone interact. energy: -3.370 local terms energy: -452.142898 where: bonds (distance) C4'-P energy: -133.056 bonds (distance) P-C4' energy: -136.758 flat angles C4'-P-C4' energy: -121.290 flat angles P-C4'-P energy: -83.642 tors. eta vs tors. theta energy: 22.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2648.034995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.034995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.034995 (E_RNA) where: Base-Base interactions energy: -1793.979 where: short stacking energy: -775.507 Base-Backbone interact. energy: -3.161 local terms energy: -850.894758 where: bonds (distance) C4'-P energy: -163.574 bonds (distance) P-C4' energy: -164.437 flat angles C4'-P-C4' energy: -186.071 flat angles P-C4'-P energy: -127.409 tors. eta vs tors. theta energy: -209.403 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: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2486.810979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.810979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.810979 (E_RNA) where: Base-Base interactions energy: -1674.929 where: short stacking energy: -721.746 Base-Backbone interact. energy: -3.996 local terms energy: -807.885405 where: bonds (distance) C4'-P energy: -164.357 bonds (distance) P-C4' energy: -149.861 flat angles C4'-P-C4' energy: -172.396 flat angles P-C4'-P energy: -124.375 tors. eta vs tors. theta energy: -196.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2290.843500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.843500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.843500 (E_RNA) where: Base-Base interactions energy: -1535.270 where: short stacking energy: -641.525 Base-Backbone interact. energy: -3.215 local terms energy: -752.358636 where: bonds (distance) C4'-P energy: -153.337 bonds (distance) P-C4' energy: -161.224 flat angles C4'-P-C4' energy: -170.686 flat angles P-C4'-P energy: -91.759 tors. eta vs tors. theta energy: -175.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2214.692635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.692635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.692635 (E_RNA) where: Base-Base interactions energy: -1443.464 where: short stacking energy: -640.328 Base-Backbone interact. energy: -2.094 local terms energy: -769.134213 where: bonds (distance) C4'-P energy: -153.984 bonds (distance) P-C4' energy: -152.257 flat angles C4'-P-C4' energy: -181.802 flat angles P-C4'-P energy: -108.652 tors. eta vs tors. theta energy: -172.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1953.536308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.536308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.536308 (E_RNA) where: Base-Base interactions energy: -1245.261 where: short stacking energy: -556.826 Base-Backbone interact. energy: -2.928 local terms energy: -705.347316 where: bonds (distance) C4'-P energy: -139.718 bonds (distance) P-C4' energy: -145.474 flat angles C4'-P-C4' energy: -166.281 flat angles P-C4'-P energy: -123.975 tors. eta vs tors. theta energy: -129.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1650.740738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.740738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.740738 (E_RNA) where: Base-Base interactions energy: -1011.634 where: short stacking energy: -465.333 Base-Backbone interact. energy: -2.150 local terms energy: -636.956800 where: bonds (distance) C4'-P energy: -146.265 bonds (distance) P-C4' energy: -147.548 flat angles C4'-P-C4' energy: -153.812 flat angles P-C4'-P energy: -85.753 tors. eta vs tors. theta energy: -103.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1418.963827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.963827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.963827 (E_RNA) where: Base-Base interactions energy: -848.587 where: short stacking energy: -408.945 Base-Backbone interact. energy: -3.460 local terms energy: -566.917237 where: bonds (distance) C4'-P energy: -143.006 bonds (distance) P-C4' energy: -139.602 flat angles C4'-P-C4' energy: -144.633 flat angles P-C4'-P energy: -85.763 tors. eta vs tors. theta energy: -53.913 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: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1028.501350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.501350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.501350 (E_RNA) where: Base-Base interactions energy: -549.970 where: short stacking energy: -302.175 Base-Backbone interact. energy: -1.872 local terms energy: -476.659739 where: bonds (distance) C4'-P energy: -131.381 bonds (distance) P-C4' energy: -130.798 flat angles C4'-P-C4' energy: -127.217 flat angles P-C4'-P energy: -56.065 tors. eta vs tors. theta energy: -31.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -956.032232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.032232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.032232 (E_RNA) where: Base-Base interactions energy: -466.660 where: short stacking energy: -274.567 Base-Backbone interact. energy: 1.235 local terms energy: -490.607401 where: bonds (distance) C4'-P energy: -146.746 bonds (distance) P-C4' energy: -152.995 flat angles C4'-P-C4' energy: -117.838 flat angles P-C4'-P energy: -69.530 tors. eta vs tors. theta energy: -3.498 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: 6 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -798.762012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.762012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.762012 (E_RNA) where: Base-Base interactions energy: -407.887 where: short stacking energy: -230.713 Base-Backbone interact. energy: 2.506 local terms energy: -393.381043 where: bonds (distance) C4'-P energy: -130.620 bonds (distance) P-C4' energy: -126.956 flat angles C4'-P-C4' energy: -101.851 flat angles P-C4'-P energy: -57.376 tors. eta vs tors. theta energy: 23.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2653.257122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.257122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.257122 (E_RNA) where: Base-Base interactions energy: -1813.295 where: short stacking energy: -753.377 Base-Backbone interact. energy: -0.727 local terms energy: -839.235137 where: bonds (distance) C4'-P energy: -166.743 bonds (distance) P-C4' energy: -154.131 flat angles C4'-P-C4' energy: -196.040 flat angles P-C4'-P energy: -114.121 tors. eta vs tors. theta energy: -208.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2481.562442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.562442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.562442 (E_RNA) where: Base-Base interactions energy: -1665.077 where: short stacking energy: -728.693 Base-Backbone interact. energy: -3.383 local terms energy: -813.102545 where: bonds (distance) C4'-P energy: -151.718 bonds (distance) P-C4' energy: -171.799 flat angles C4'-P-C4' energy: -197.018 flat angles P-C4'-P energy: -102.253 tors. eta vs tors. theta energy: -190.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2308.074899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.074899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.074899 (E_RNA) where: Base-Base interactions energy: -1532.348 where: short stacking energy: -687.114 Base-Backbone interact. energy: -2.449 local terms energy: -773.278202 where: bonds (distance) C4'-P energy: -163.305 bonds (distance) P-C4' energy: -156.319 flat angles C4'-P-C4' energy: -165.596 flat angles P-C4'-P energy: -105.250 tors. eta vs tors. theta energy: -182.807 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: 7 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2147.711312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.711312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.711312 (E_RNA) where: Base-Base interactions energy: -1424.567 where: short stacking energy: -617.946 Base-Backbone interact. energy: -2.073 local terms energy: -721.071254 where: bonds (distance) C4'-P energy: -136.534 bonds (distance) P-C4' energy: -149.313 flat angles C4'-P-C4' energy: -170.445 flat angles P-C4'-P energy: -98.811 tors. eta vs tors. theta energy: -165.968 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: 10 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2020.558916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.558916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.558916 (E_RNA) where: Base-Base interactions energy: -1297.184 where: short stacking energy: -569.610 Base-Backbone interact. energy: -3.060 local terms energy: -720.315598 where: bonds (distance) C4'-P energy: -156.198 bonds (distance) P-C4' energy: -149.793 flat angles C4'-P-C4' energy: -166.783 flat angles P-C4'-P energy: -95.658 tors. eta vs tors. theta energy: -151.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1724.256123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.256123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.256123 (E_RNA) where: Base-Base interactions energy: -1057.062 where: short stacking energy: -508.839 Base-Backbone interact. energy: 2.855 local terms energy: -670.048843 where: bonds (distance) C4'-P energy: -135.313 bonds (distance) P-C4' energy: -162.389 flat angles C4'-P-C4' energy: -170.286 flat angles P-C4'-P energy: -77.590 tors. eta vs tors. theta energy: -124.471 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: 7, replica: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1384.429074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.429074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.429074 (E_RNA) where: Base-Base interactions energy: -820.980 where: short stacking energy: -410.186 Base-Backbone interact. energy: -0.501 local terms energy: -562.947825 where: bonds (distance) C4'-P energy: -134.396 bonds (distance) P-C4' energy: -137.241 flat angles C4'-P-C4' energy: -154.285 flat angles P-C4'-P energy: -89.508 tors. eta vs tors. theta energy: -47.519 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: 8, replica: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1082.525954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.525954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.525954 (E_RNA) where: Base-Base interactions energy: -532.775 where: short stacking energy: -301.476 Base-Backbone interact. energy: -1.296 local terms energy: -548.454793 where: bonds (distance) C4'-P energy: -142.896 bonds (distance) P-C4' energy: -153.333 flat angles C4'-P-C4' energy: -134.046 flat angles P-C4'-P energy: -87.018 tors. eta vs tors. theta energy: -31.162 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: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -938.028372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.028372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.028372 (E_RNA) where: Base-Base interactions energy: -458.844 where: short stacking energy: -300.931 Base-Backbone interact. energy: -2.989 local terms energy: -476.194862 where: bonds (distance) C4'-P energy: -136.933 bonds (distance) P-C4' energy: -119.942 flat angles C4'-P-C4' energy: -129.987 flat angles P-C4'-P energy: -81.556 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -802.546820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.546820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.546820 (E_RNA) where: Base-Base interactions energy: -371.183 where: short stacking energy: -222.023 Base-Backbone interact. energy: 4.404 local terms energy: -435.768185 where: bonds (distance) C4'-P energy: -113.615 bonds (distance) P-C4' energy: -144.626 flat angles C4'-P-C4' energy: -114.940 flat angles P-C4'-P energy: -79.533 tors. eta vs tors. theta energy: 16.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2621.652472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.652472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.652472 (E_RNA) where: Base-Base interactions energy: -1741.173 where: short stacking energy: -737.363 Base-Backbone interact. energy: -1.848 local terms energy: -878.631046 where: bonds (distance) C4'-P energy: -179.427 bonds (distance) P-C4' energy: -165.258 flat angles C4'-P-C4' energy: -192.923 flat angles P-C4'-P energy: -121.570 tors. eta vs tors. theta energy: -219.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2455.536414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.536414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.536414 (E_RNA) where: Base-Base interactions energy: -1642.315 where: short stacking energy: -756.117 Base-Backbone interact. energy: 0.605 local terms energy: -813.826220 where: bonds (distance) C4'-P energy: -157.889 bonds (distance) P-C4' energy: -169.587 flat angles C4'-P-C4' energy: -179.704 flat angles P-C4'-P energy: -103.322 tors. eta vs tors. theta energy: -203.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2317.634566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.634566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.634566 (E_RNA) where: Base-Base interactions energy: -1549.267 where: short stacking energy: -641.424 Base-Backbone interact. energy: -5.234 local terms energy: -763.132629 where: bonds (distance) C4'-P energy: -159.576 bonds (distance) P-C4' energy: -167.545 flat angles C4'-P-C4' energy: -168.640 flat angles P-C4'-P energy: -103.155 tors. eta vs tors. theta energy: -164.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2179.405559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.405559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.405559 (E_RNA) where: Base-Base interactions energy: -1435.947 where: short stacking energy: -641.512 Base-Backbone interact. energy: -4.196 local terms energy: -739.261878 where: bonds (distance) C4'-P energy: -148.431 bonds (distance) P-C4' energy: -155.850 flat angles C4'-P-C4' energy: -151.275 flat angles P-C4'-P energy: -109.636 tors. eta vs tors. theta energy: -174.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1991.785715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.785715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.785715 (E_RNA) where: Base-Base interactions energy: -1300.963 where: short stacking energy: -578.377 Base-Backbone interact. energy: -1.709 local terms energy: -689.113147 where: bonds (distance) C4'-P energy: -138.467 bonds (distance) P-C4' energy: -144.586 flat angles C4'-P-C4' energy: -153.977 flat angles P-C4'-P energy: -94.683 tors. eta vs tors. theta energy: -157.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1719.453500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.453500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.453500 (E_RNA) where: Base-Base interactions energy: -1075.020 where: short stacking energy: -527.208 Base-Backbone interact. energy: -3.880 local terms energy: -640.552717 where: bonds (distance) C4'-P energy: -129.073 bonds (distance) P-C4' energy: -136.613 flat angles C4'-P-C4' energy: -160.668 flat angles P-C4'-P energy: -92.747 tors. eta vs tors. theta energy: -121.452 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: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1388.956865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.956865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.956865 (E_RNA) where: Base-Base interactions energy: -817.391 where: short stacking energy: -430.205 Base-Backbone interact. energy: -1.899 local terms energy: -569.666472 where: bonds (distance) C4'-P energy: -135.413 bonds (distance) P-C4' energy: -132.723 flat angles C4'-P-C4' energy: -136.561 flat angles P-C4'-P energy: -95.704 tors. eta vs tors. theta energy: -69.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1106.730604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.730604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.730604 (E_RNA) where: Base-Base interactions energy: -578.539 where: short stacking energy: -313.530 Base-Backbone interact. energy: 3.934 local terms energy: -532.125437 where: bonds (distance) C4'-P energy: -120.332 bonds (distance) P-C4' energy: -159.742 flat angles C4'-P-C4' energy: -119.746 flat angles P-C4'-P energy: -89.304 tors. eta vs tors. theta energy: -43.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -906.275872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.275872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.275872 (E_RNA) where: Base-Base interactions energy: -441.170 where: short stacking energy: -266.781 Base-Backbone interact. energy: -0.291 local terms energy: -464.814296 where: bonds (distance) C4'-P energy: -133.530 bonds (distance) P-C4' energy: -133.780 flat angles C4'-P-C4' energy: -103.137 flat angles P-C4'-P energy: -82.219 tors. eta vs tors. theta energy: -12.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -786.419258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.419258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.419258 (E_RNA) where: Base-Base interactions energy: -373.981 where: short stacking energy: -229.162 Base-Backbone interact. energy: 8.651 local terms energy: -421.089167 where: bonds (distance) C4'-P energy: -123.775 bonds (distance) P-C4' energy: -134.067 flat angles C4'-P-C4' energy: -108.531 flat angles P-C4'-P energy: -70.518 tors. eta vs tors. theta energy: 15.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2678.493465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.493465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.493465 (E_RNA) where: Base-Base interactions energy: -1817.068 where: short stacking energy: -783.740 Base-Backbone interact. energy: -4.027 local terms energy: -857.398318 where: bonds (distance) C4'-P energy: -156.958 bonds (distance) P-C4' energy: -168.962 flat angles C4'-P-C4' energy: -187.315 flat angles P-C4'-P energy: -120.169 tors. eta vs tors. theta energy: -223.993 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: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2461.312905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.312905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.312905 (E_RNA) where: Base-Base interactions energy: -1648.889 where: short stacking energy: -736.601 Base-Backbone interact. energy: -2.304 local terms energy: -810.119743 where: bonds (distance) C4'-P energy: -172.216 bonds (distance) P-C4' energy: -158.562 flat angles C4'-P-C4' energy: -165.220 flat angles P-C4'-P energy: -108.615 tors. eta vs tors. theta energy: -205.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2339.755322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.755322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.755322 (E_RNA) where: Base-Base interactions energy: -1549.786 where: short stacking energy: -642.840 Base-Backbone interact. energy: 1.074 local terms energy: -791.043786 where: bonds (distance) C4'-P energy: -153.555 bonds (distance) P-C4' energy: -168.500 flat angles C4'-P-C4' energy: -188.760 flat angles P-C4'-P energy: -103.600 tors. eta vs tors. theta energy: -176.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2193.836809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.836809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.836809 (E_RNA) where: Base-Base interactions energy: -1450.697 where: short stacking energy: -656.183 Base-Backbone interact. energy: -0.355 local terms energy: -742.784948 where: bonds (distance) C4'-P energy: -153.392 bonds (distance) P-C4' energy: -142.250 flat angles C4'-P-C4' energy: -159.133 flat angles P-C4'-P energy: -110.587 tors. eta vs tors. theta energy: -177.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2000.304985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.304985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.304985 (E_RNA) where: Base-Base interactions energy: -1288.132 where: short stacking energy: -566.044 Base-Backbone interact. energy: -2.514 local terms energy: -709.658909 where: bonds (distance) C4'-P energy: -143.191 bonds (distance) P-C4' energy: -149.888 flat angles C4'-P-C4' energy: -174.318 flat angles P-C4'-P energy: -96.186 tors. eta vs tors. theta energy: -146.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1672.521989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.521989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.521989 (E_RNA) where: Base-Base interactions energy: -1031.540 where: short stacking energy: -470.172 Base-Backbone interact. energy: -0.383 local terms energy: -640.598503 where: bonds (distance) C4'-P energy: -161.745 bonds (distance) P-C4' energy: -147.198 flat angles C4'-P-C4' energy: -146.421 flat angles P-C4'-P energy: -79.424 tors. eta vs tors. theta energy: -105.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1461.027757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.027757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.027757 (E_RNA) where: Base-Base interactions energy: -840.744 where: short stacking energy: -410.620 Base-Backbone interact. energy: -1.388 local terms energy: -618.895790 where: bonds (distance) C4'-P energy: -122.287 bonds (distance) P-C4' energy: -169.421 flat angles C4'-P-C4' energy: -133.467 flat angles P-C4'-P energy: -98.951 tors. eta vs tors. theta energy: -94.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1085.012303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.012303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.012303 (E_RNA) where: Base-Base interactions energy: -568.093 where: short stacking energy: -340.299 Base-Backbone interact. energy: -0.589 local terms energy: -516.330521 where: bonds (distance) C4'-P energy: -117.757 bonds (distance) P-C4' energy: -139.130 flat angles C4'-P-C4' energy: -154.164 flat angles P-C4'-P energy: -67.782 tors. eta vs tors. theta energy: -37.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -960.798753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.798753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.798753 (E_RNA) where: Base-Base interactions energy: -479.675 where: short stacking energy: -251.410 Base-Backbone interact. energy: 3.122 local terms energy: -484.245826 where: bonds (distance) C4'-P energy: -124.340 bonds (distance) P-C4' energy: -147.839 flat angles C4'-P-C4' energy: -130.290 flat angles P-C4'-P energy: -70.794 tors. eta vs tors. theta energy: -10.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -825.221096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.221096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.221096 (E_RNA) where: Base-Base interactions energy: -406.448 where: short stacking energy: -222.649 Base-Backbone interact. energy: -4.040 local terms energy: -414.733308 where: bonds (distance) C4'-P energy: -121.874 bonds (distance) P-C4' energy: -133.577 flat angles C4'-P-C4' energy: -118.388 flat angles P-C4'-P energy: -80.063 tors. eta vs tors. theta energy: 39.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2636.995034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.995034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.995034 (E_RNA) where: Base-Base interactions energy: -1830.562 where: short stacking energy: -770.122 Base-Backbone interact. energy: -5.222 local terms energy: -801.211041 where: bonds (distance) C4'-P energy: -148.261 bonds (distance) P-C4' energy: -146.718 flat angles C4'-P-C4' energy: -173.072 flat angles P-C4'-P energy: -126.577 tors. eta vs tors. theta energy: -206.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2473.868701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.868701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.868701 (E_RNA) where: Base-Base interactions energy: -1650.698 where: short stacking energy: -718.900 Base-Backbone interact. energy: 0.121 local terms energy: -823.292258 where: bonds (distance) C4'-P energy: -150.056 bonds (distance) P-C4' energy: -177.537 flat angles C4'-P-C4' energy: -182.579 flat angles P-C4'-P energy: -116.874 tors. eta vs tors. theta energy: -196.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2335.159761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.159761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.159761 (E_RNA) where: Base-Base interactions energy: -1602.143 where: short stacking energy: -637.319 Base-Backbone interact. energy: -3.022 local terms energy: -729.995310 where: bonds (distance) C4'-P energy: -139.702 bonds (distance) P-C4' energy: -164.335 flat angles C4'-P-C4' energy: -156.494 flat angles P-C4'-P energy: -99.078 tors. eta vs tors. theta energy: -170.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2175.194559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.194559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.194559 (E_RNA) where: Base-Base interactions energy: -1442.438 where: short stacking energy: -676.654 Base-Backbone interact. energy: -2.671 local terms energy: -730.085845 where: bonds (distance) C4'-P energy: -145.268 bonds (distance) P-C4' energy: -154.913 flat angles C4'-P-C4' energy: -160.414 flat angles P-C4'-P energy: -103.500 tors. eta vs tors. theta energy: -165.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2017.296766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.296766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.296766 (E_RNA) where: Base-Base interactions energy: -1321.038 where: short stacking energy: -558.516 Base-Backbone interact. energy: -4.750 local terms energy: -691.508621 where: bonds (distance) C4'-P energy: -141.826 bonds (distance) P-C4' energy: -149.058 flat angles C4'-P-C4' energy: -146.540 flat angles P-C4'-P energy: -105.096 tors. eta vs tors. theta energy: -148.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1724.970660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.970660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.970660 (E_RNA) where: Base-Base interactions energy: -1122.180 where: short stacking energy: -516.678 Base-Backbone interact. energy: 4.763 local terms energy: -607.553220 where: bonds (distance) C4'-P energy: -140.145 bonds (distance) P-C4' energy: -140.852 flat angles C4'-P-C4' energy: -134.370 flat angles P-C4'-P energy: -81.572 tors. eta vs tors. theta energy: -110.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1485.889003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.889003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.889003 (E_RNA) where: Base-Base interactions energy: -910.251 where: short stacking energy: -409.528 Base-Backbone interact. energy: 0.161 local terms energy: -575.798294 where: bonds (distance) C4'-P energy: -113.814 bonds (distance) P-C4' energy: -160.109 flat angles C4'-P-C4' energy: -154.610 flat angles P-C4'-P energy: -69.230 tors. eta vs tors. theta energy: -78.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1001.363561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.363561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.363561 (E_RNA) where: Base-Base interactions energy: -525.193 where: short stacking energy: -307.153 Base-Backbone interact. energy: 4.003 local terms energy: -480.173504 where: bonds (distance) C4'-P energy: -138.588 bonds (distance) P-C4' energy: -133.829 flat angles C4'-P-C4' energy: -117.121 flat angles P-C4'-P energy: -75.544 tors. eta vs tors. theta energy: -15.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -863.028279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.028279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.028279 (E_RNA) where: Base-Base interactions energy: -393.361 where: short stacking energy: -251.197 Base-Backbone interact. energy: -4.760 local terms energy: -464.906738 where: bonds (distance) C4'-P energy: -118.711 bonds (distance) P-C4' energy: -145.189 flat angles C4'-P-C4' energy: -111.650 flat angles P-C4'-P energy: -84.860 tors. eta vs tors. theta energy: -4.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -780.260463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.260463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.260463 (E_RNA) where: Base-Base interactions energy: -349.165 where: short stacking energy: -212.897 Base-Backbone interact. energy: -0.538 local terms energy: -430.557948 where: bonds (distance) C4'-P energy: -143.760 bonds (distance) P-C4' energy: -115.116 flat angles C4'-P-C4' energy: -132.941 flat angles P-C4'-P energy: -65.112 tors. eta vs tors. theta energy: 26.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2640.911231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.911231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.911231 (E_RNA) where: Base-Base interactions energy: -1797.523 where: short stacking energy: -752.550 Base-Backbone interact. energy: 1.539 local terms energy: -844.927304 where: bonds (distance) C4'-P energy: -152.623 bonds (distance) P-C4' energy: -169.724 flat angles C4'-P-C4' energy: -198.340 flat angles P-C4'-P energy: -120.769 tors. eta vs tors. theta energy: -203.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2464.661472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.661472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.661472 (E_RNA) where: Base-Base interactions energy: -1648.998 where: short stacking energy: -751.158 Base-Backbone interact. energy: -1.419 local terms energy: -814.244234 where: bonds (distance) C4'-P energy: -154.021 bonds (distance) P-C4' energy: -163.968 flat angles C4'-P-C4' energy: -182.566 flat angles P-C4'-P energy: -110.860 tors. eta vs tors. theta energy: -202.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2352.907029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.907029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.907029 (E_RNA) where: Base-Base interactions energy: -1575.499 where: short stacking energy: -663.284 Base-Backbone interact. energy: -1.258 local terms energy: -776.149899 where: bonds (distance) C4'-P energy: -149.816 bonds (distance) P-C4' energy: -169.554 flat angles C4'-P-C4' energy: -164.849 flat angles P-C4'-P energy: -113.682 tors. eta vs tors. theta energy: -178.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2212.082796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.082796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.082796 (E_RNA) where: Base-Base interactions energy: -1471.912 where: short stacking energy: -640.066 Base-Backbone interact. energy: 2.739 local terms energy: -742.909657 where: bonds (distance) C4'-P energy: -154.964 bonds (distance) P-C4' energy: -151.384 flat angles C4'-P-C4' energy: -157.388 flat angles P-C4'-P energy: -110.718 tors. eta vs tors. theta energy: -168.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2045.129285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.129285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.129285 (E_RNA) where: Base-Base interactions energy: -1334.670 where: short stacking energy: -595.982 Base-Backbone interact. energy: -3.590 local terms energy: -706.869726 where: bonds (distance) C4'-P energy: -158.685 bonds (distance) P-C4' energy: -161.306 flat angles C4'-P-C4' energy: -155.314 flat angles P-C4'-P energy: -80.367 tors. eta vs tors. theta energy: -151.198 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: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1802.492434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.492434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.492434 (E_RNA) where: Base-Base interactions energy: -1145.659 where: short stacking energy: -561.724 Base-Backbone interact. energy: -0.673 local terms energy: -656.159784 where: bonds (distance) C4'-P energy: -122.328 bonds (distance) P-C4' energy: -132.431 flat angles C4'-P-C4' energy: -161.825 flat angles P-C4'-P energy: -86.791 tors. eta vs tors. theta energy: -152.784 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: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1477.467152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.467152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.467152 (E_RNA) where: Base-Base interactions energy: -907.904 where: short stacking energy: -438.805 Base-Backbone interact. energy: 3.480 local terms energy: -573.044011 where: bonds (distance) C4'-P energy: -133.872 bonds (distance) P-C4' energy: -140.191 flat angles C4'-P-C4' energy: -142.652 flat angles P-C4'-P energy: -78.538 tors. eta vs tors. theta energy: -77.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1062.206820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.206820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.206820 (E_RNA) where: Base-Base interactions energy: -606.850 where: short stacking energy: -300.997 Base-Backbone interact. energy: 2.039 local terms energy: -457.396151 where: bonds (distance) C4'-P energy: -115.061 bonds (distance) P-C4' energy: -127.224 flat angles C4'-P-C4' energy: -121.574 flat angles P-C4'-P energy: -81.736 tors. eta vs tors. theta energy: -11.802 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: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -868.007961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.007961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.007961 (E_RNA) where: Base-Base interactions energy: -427.804 where: short stacking energy: -240.058 Base-Backbone interact. energy: 14.578 local terms energy: -454.781567 where: bonds (distance) C4'-P energy: -136.756 bonds (distance) P-C4' energy: -141.678 flat angles C4'-P-C4' energy: -111.431 flat angles P-C4'-P energy: -66.044 tors. eta vs tors. theta energy: 1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -805.545542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.545542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.545542 (E_RNA) where: Base-Base interactions energy: -376.695 where: short stacking energy: -184.322 Base-Backbone interact. energy: -3.629 local terms energy: -425.222272 where: bonds (distance) C4'-P energy: -137.060 bonds (distance) P-C4' energy: -128.194 flat angles C4'-P-C4' energy: -124.436 flat angles P-C4'-P energy: -52.046 tors. eta vs tors. theta energy: 16.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2682.431772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.431772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.431772 (E_RNA) where: Base-Base interactions energy: -1850.377 where: short stacking energy: -801.487 Base-Backbone interact. energy: -0.390 local terms energy: -831.665272 where: bonds (distance) C4'-P energy: -156.964 bonds (distance) P-C4' energy: -155.144 flat angles C4'-P-C4' energy: -192.012 flat angles P-C4'-P energy: -105.511 tors. eta vs tors. theta energy: -222.035 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: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2462.590450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.590450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.590450 (E_RNA) where: Base-Base interactions energy: -1653.260 where: short stacking energy: -751.430 Base-Backbone interact. energy: -0.814 local terms energy: -808.516086 where: bonds (distance) C4'-P energy: -157.589 bonds (distance) P-C4' energy: -146.209 flat angles C4'-P-C4' energy: -176.605 flat angles P-C4'-P energy: -113.664 tors. eta vs tors. theta energy: -214.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2314.652046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.652046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.652046 (E_RNA) where: Base-Base interactions energy: -1530.558 where: short stacking energy: -666.347 Base-Backbone interact. energy: -1.081 local terms energy: -783.012279 where: bonds (distance) C4'-P energy: -140.545 bonds (distance) P-C4' energy: -163.165 flat angles C4'-P-C4' energy: -173.637 flat angles P-C4'-P energy: -117.628 tors. eta vs tors. theta energy: -188.037 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: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2319.237645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.237645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.237645 (E_RNA) where: Base-Base interactions energy: -1529.899 where: short stacking energy: -676.102 Base-Backbone interact. energy: -4.252 local terms energy: -785.086981 where: bonds (distance) C4'-P energy: -166.448 bonds (distance) P-C4' energy: -171.768 flat angles C4'-P-C4' energy: -161.214 flat angles P-C4'-P energy: -104.317 tors. eta vs tors. theta energy: -181.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1978.710655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.710655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.710655 (E_RNA) where: Base-Base interactions energy: -1258.102 where: short stacking energy: -560.898 Base-Backbone interact. energy: -1.872 local terms energy: -718.736729 where: bonds (distance) C4'-P energy: -140.614 bonds (distance) P-C4' energy: -160.110 flat angles C4'-P-C4' energy: -167.133 flat angles P-C4'-P energy: -103.898 tors. eta vs tors. theta energy: -146.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1744.498115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.498115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.498115 (E_RNA) where: Base-Base interactions energy: -1101.811 where: short stacking energy: -510.000 Base-Backbone interact. energy: 2.404 local terms energy: -645.090928 where: bonds (distance) C4'-P energy: -140.887 bonds (distance) P-C4' energy: -148.390 flat angles C4'-P-C4' energy: -150.511 flat angles P-C4'-P energy: -81.819 tors. eta vs tors. theta energy: -123.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1524.142924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.142924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.142924 (E_RNA) where: Base-Base interactions energy: -945.869 where: short stacking energy: -443.962 Base-Backbone interact. energy: -1.939 local terms energy: -576.334867 where: bonds (distance) C4'-P energy: -133.914 bonds (distance) P-C4' energy: -144.691 flat angles C4'-P-C4' energy: -144.231 flat angles P-C4'-P energy: -80.728 tors. eta vs tors. theta energy: -72.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1211.918928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.918928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.918928 (E_RNA) where: Base-Base interactions energy: -685.897 where: short stacking energy: -350.724 Base-Backbone interact. energy: 3.839 local terms energy: -529.861325 where: bonds (distance) C4'-P energy: -128.563 bonds (distance) P-C4' energy: -133.430 flat angles C4'-P-C4' energy: -114.354 flat angles P-C4'-P energy: -96.036 tors. eta vs tors. theta energy: -57.478 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: 6 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -827.857673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.857673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.857673 (E_RNA) where: Base-Base interactions energy: -356.619 where: short stacking energy: -218.586 Base-Backbone interact. energy: 0.158 local terms energy: -471.396214 where: bonds (distance) C4'-P energy: -137.975 bonds (distance) P-C4' energy: -151.041 flat angles C4'-P-C4' energy: -135.009 flat angles P-C4'-P energy: -64.327 tors. eta vs tors. theta energy: 16.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -830.998372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.998372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.998372 (E_RNA) where: Base-Base interactions energy: -408.765 where: short stacking energy: -252.977 Base-Backbone interact. energy: 10.138 local terms energy: -432.371664 where: bonds (distance) C4'-P energy: -124.512 bonds (distance) P-C4' energy: -115.309 flat angles C4'-P-C4' energy: -125.288 flat angles P-C4'-P energy: -70.712 tors. eta vs tors. theta energy: 3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2647.438439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.438439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.438439 (E_RNA) where: Base-Base interactions energy: -1793.422 where: short stacking energy: -798.466 Base-Backbone interact. energy: -2.487 local terms energy: -851.529679 where: bonds (distance) C4'-P energy: -151.909 bonds (distance) P-C4' energy: -175.401 flat angles C4'-P-C4' energy: -194.608 flat angles P-C4'-P energy: -127.697 tors. eta vs tors. theta energy: -201.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2453.636275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.636275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.636275 (E_RNA) where: Base-Base interactions energy: -1639.235 where: short stacking energy: -709.196 Base-Backbone interact. energy: -4.412 local terms energy: -809.988674 where: bonds (distance) C4'-P energy: -154.074 bonds (distance) P-C4' energy: -160.433 flat angles C4'-P-C4' energy: -178.627 flat angles P-C4'-P energy: -126.980 tors. eta vs tors. theta energy: -189.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2306.240904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.240904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.240904 (E_RNA) where: Base-Base interactions energy: -1550.707 where: short stacking energy: -695.014 Base-Backbone interact. energy: -0.165 local terms energy: -755.369334 where: bonds (distance) C4'-P energy: -135.891 bonds (distance) P-C4' energy: -151.467 flat angles C4'-P-C4' energy: -166.751 flat angles P-C4'-P energy: -119.207 tors. eta vs tors. theta energy: -182.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2299.015012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.015012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.015012 (E_RNA) where: Base-Base interactions energy: -1539.368 where: short stacking energy: -656.475 Base-Backbone interact. energy: -3.313 local terms energy: -756.334505 where: bonds (distance) C4'-P energy: -146.729 bonds (distance) P-C4' energy: -151.077 flat angles C4'-P-C4' energy: -175.588 flat angles P-C4'-P energy: -105.680 tors. eta vs tors. theta energy: -177.260 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: 10 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2015.611064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.611064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.611064 (E_RNA) where: Base-Base interactions energy: -1336.129 where: short stacking energy: -583.288 Base-Backbone interact. energy: 4.076 local terms energy: -683.557675 where: bonds (distance) C4'-P energy: -135.126 bonds (distance) P-C4' energy: -148.272 flat angles C4'-P-C4' energy: -150.660 flat angles P-C4'-P energy: -100.210 tors. eta vs tors. theta energy: -149.290 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: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1766.158592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.158592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.158592 (E_RNA) where: Base-Base interactions energy: -1133.058 where: short stacking energy: -509.300 Base-Backbone interact. energy: 1.829 local terms energy: -634.929759 where: bonds (distance) C4'-P energy: -156.037 bonds (distance) P-C4' energy: -131.693 flat angles C4'-P-C4' energy: -142.376 flat angles P-C4'-P energy: -100.060 tors. eta vs tors. theta energy: -104.764 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: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1499.966895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.966895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.966895 (E_RNA) where: Base-Base interactions energy: -904.652 where: short stacking energy: -428.179 Base-Backbone interact. energy: 0.707 local terms energy: -596.022385 where: bonds (distance) C4'-P energy: -150.832 bonds (distance) P-C4' energy: -144.499 flat angles C4'-P-C4' energy: -132.960 flat angles P-C4'-P energy: -89.035 tors. eta vs tors. theta energy: -78.696 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: 8, replica: 4 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1202.851362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.851362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.851362 (E_RNA) where: Base-Base interactions energy: -684.059 where: short stacking energy: -329.298 Base-Backbone interact. energy: 6.970 local terms energy: -525.761543 where: bonds (distance) C4'-P energy: -137.157 bonds (distance) P-C4' energy: -133.549 flat angles C4'-P-C4' energy: -129.285 flat angles P-C4'-P energy: -75.669 tors. eta vs tors. theta energy: -50.101 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: 9, replica: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -872.284358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.284358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.284358 (E_RNA) where: Base-Base interactions energy: -421.072 where: short stacking energy: -263.301 Base-Backbone interact. energy: 7.143 local terms energy: -458.354747 where: bonds (distance) C4'-P energy: -138.579 bonds (distance) P-C4' energy: -132.192 flat angles C4'-P-C4' energy: -128.970 flat angles P-C4'-P energy: -65.939 tors. eta vs tors. theta energy: 7.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -781.772702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.772702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.772702 (E_RNA) where: Base-Base interactions energy: -340.854 where: short stacking energy: -198.254 Base-Backbone interact. energy: -0.273 local terms energy: -440.645619 where: bonds (distance) C4'-P energy: -142.531 bonds (distance) P-C4' energy: -136.868 flat angles C4'-P-C4' energy: -105.719 flat angles P-C4'-P energy: -75.281 tors. eta vs tors. theta energy: 19.753 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: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2631.783627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.783627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.783627 (E_RNA) where: Base-Base interactions energy: -1770.876 where: short stacking energy: -785.629 Base-Backbone interact. energy: -2.543 local terms energy: -858.365067 where: bonds (distance) C4'-P energy: -162.811 bonds (distance) P-C4' energy: -166.581 flat angles C4'-P-C4' energy: -187.362 flat angles P-C4'-P energy: -127.308 tors. eta vs tors. theta energy: -214.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2471.099898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.099898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.099898 (E_RNA) where: Base-Base interactions energy: -1648.688 where: short stacking energy: -727.667 Base-Backbone interact. energy: 5.476 local terms energy: -827.887519 where: bonds (distance) C4'-P energy: -178.966 bonds (distance) P-C4' energy: -160.606 flat angles C4'-P-C4' energy: -160.471 flat angles P-C4'-P energy: -116.962 tors. eta vs tors. theta energy: -210.883 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: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2297.457271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.457271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.457271 (E_RNA) where: Base-Base interactions energy: -1519.426 where: short stacking energy: -658.519 Base-Backbone interact. energy: 2.263 local terms energy: -780.294204 where: bonds (distance) C4'-P energy: -160.282 bonds (distance) P-C4' energy: -176.686 flat angles C4'-P-C4' energy: -157.867 flat angles P-C4'-P energy: -98.814 tors. eta vs tors. theta energy: -186.644 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: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2284.450849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.450849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.450849 (E_RNA) where: Base-Base interactions energy: -1532.003 where: short stacking energy: -663.478 Base-Backbone interact. energy: -2.368 local terms energy: -750.080104 where: bonds (distance) C4'-P energy: -138.938 bonds (distance) P-C4' energy: -162.884 flat angles C4'-P-C4' energy: -164.029 flat angles P-C4'-P energy: -99.786 tors. eta vs tors. theta energy: -184.443 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: 5, replica: 10 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1954.628992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.628992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.628992 (E_RNA) where: Base-Base interactions energy: -1236.565 where: short stacking energy: -597.555 Base-Backbone interact. energy: -2.022 local terms energy: -716.042322 where: bonds (distance) C4'-P energy: -136.839 bonds (distance) P-C4' energy: -150.373 flat angles C4'-P-C4' energy: -165.474 flat angles P-C4'-P energy: -114.608 tors. eta vs tors. theta energy: -148.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1814.489853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.489853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.489853 (E_RNA) where: Base-Base interactions energy: -1140.889 where: short stacking energy: -491.044 Base-Backbone interact. energy: -5.060 local terms energy: -668.540077 where: bonds (distance) C4'-P energy: -146.724 bonds (distance) P-C4' energy: -158.773 flat angles C4'-P-C4' energy: -141.789 flat angles P-C4'-P energy: -105.662 tors. eta vs tors. theta energy: -115.592 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: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1655.905441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.905441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.905441 (E_RNA) where: Base-Base interactions energy: -1034.362 where: short stacking energy: -509.386 Base-Backbone interact. energy: 0.203 local terms energy: -621.746252 where: bonds (distance) C4'-P energy: -127.668 bonds (distance) P-C4' energy: -143.571 flat angles C4'-P-C4' energy: -152.756 flat angles P-C4'-P energy: -98.575 tors. eta vs tors. theta energy: -99.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1198.143438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.143438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.143438 (E_RNA) where: Base-Base interactions energy: -668.353 where: short stacking energy: -354.596 Base-Backbone interact. energy: -1.045 local terms energy: -528.745893 where: bonds (distance) C4'-P energy: -118.542 bonds (distance) P-C4' energy: -142.804 flat angles C4'-P-C4' energy: -129.071 flat angles P-C4'-P energy: -89.994 tors. eta vs tors. theta energy: -48.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -856.980503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.980503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.980503 (E_RNA) where: Base-Base interactions energy: -399.600 where: short stacking energy: -240.621 Base-Backbone interact. energy: 0.946 local terms energy: -458.326548 where: bonds (distance) C4'-P energy: -125.845 bonds (distance) P-C4' energy: -135.229 flat angles C4'-P-C4' energy: -137.032 flat angles P-C4'-P energy: -77.366 tors. eta vs tors. theta energy: 17.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -770.444826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.444826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.444826 (E_RNA) where: Base-Base interactions energy: -353.036 where: short stacking energy: -208.791 Base-Backbone interact. energy: 1.113 local terms energy: -418.522278 where: bonds (distance) C4'-P energy: -117.762 bonds (distance) P-C4' energy: -126.373 flat angles C4'-P-C4' energy: -126.100 flat angles P-C4'-P energy: -67.598 tors. eta vs tors. theta energy: 19.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2640.743505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.743505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.743505 (E_RNA) where: Base-Base interactions energy: -1807.935 where: short stacking energy: -778.517 Base-Backbone interact. energy: -2.315 local terms energy: -830.493085 where: bonds (distance) C4'-P energy: -141.216 bonds (distance) P-C4' energy: -154.634 flat angles C4'-P-C4' energy: -202.633 flat angles P-C4'-P energy: -114.040 tors. eta vs tors. theta energy: -217.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2472.891422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.891422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.891422 (E_RNA) where: Base-Base interactions energy: -1641.788 where: short stacking energy: -722.822 Base-Backbone interact. energy: -2.550 local terms energy: -828.553456 where: bonds (distance) C4'-P energy: -158.022 bonds (distance) P-C4' energy: -168.925 flat angles C4'-P-C4' energy: -174.779 flat angles P-C4'-P energy: -123.984 tors. eta vs tors. theta energy: -202.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2337.446091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.446091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.446091 (E_RNA) where: Base-Base interactions energy: -1533.839 where: short stacking energy: -664.290 Base-Backbone interact. energy: 2.542 local terms energy: -806.148740 where: bonds (distance) C4'-P energy: -147.673 bonds (distance) P-C4' energy: -163.498 flat angles C4'-P-C4' energy: -169.267 flat angles P-C4'-P energy: -127.727 tors. eta vs tors. theta energy: -197.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2252.446324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.446324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.446324 (E_RNA) where: Base-Base interactions energy: -1527.179 where: short stacking energy: -638.353 Base-Backbone interact. energy: -3.318 local terms energy: -721.949014 where: bonds (distance) C4'-P energy: -145.417 bonds (distance) P-C4' energy: -151.461 flat angles C4'-P-C4' energy: -153.412 flat angles P-C4'-P energy: -102.908 tors. eta vs tors. theta energy: -168.751 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: 10 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1963.754747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.754747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.754747 (E_RNA) where: Base-Base interactions energy: -1285.658 where: short stacking energy: -570.339 Base-Backbone interact. energy: -4.153 local terms energy: -673.943564 where: bonds (distance) C4'-P energy: -128.336 bonds (distance) P-C4' energy: -146.836 flat angles C4'-P-C4' energy: -156.709 flat angles P-C4'-P energy: -94.179 tors. eta vs tors. theta energy: -147.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1875.127357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.127357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.127357 (E_RNA) where: Base-Base interactions energy: -1180.105 where: short stacking energy: -534.132 Base-Backbone interact. energy: -1.496 local terms energy: -693.526361 where: bonds (distance) C4'-P energy: -154.033 bonds (distance) P-C4' energy: -155.341 flat angles C4'-P-C4' energy: -157.937 flat angles P-C4'-P energy: -97.484 tors. eta vs tors. theta energy: -128.731 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: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1588.407108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.407108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.407108 (E_RNA) where: Base-Base interactions energy: -1005.845 where: short stacking energy: -450.544 Base-Backbone interact. energy: 0.238 local terms energy: -582.799424 where: bonds (distance) C4'-P energy: -134.196 bonds (distance) P-C4' energy: -135.147 flat angles C4'-P-C4' energy: -132.275 flat angles P-C4'-P energy: -95.971 tors. eta vs tors. theta energy: -85.210 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: 4 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1140.921531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.921531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.921531 (E_RNA) where: Base-Base interactions energy: -620.989 where: short stacking energy: -342.681 Base-Backbone interact. energy: 4.524 local terms energy: -524.456106 where: bonds (distance) C4'-P energy: -137.923 bonds (distance) P-C4' energy: -133.253 flat angles C4'-P-C4' energy: -126.759 flat angles P-C4'-P energy: -86.301 tors. eta vs tors. theta energy: -40.220 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: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -853.881284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.881284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.881284 (E_RNA) where: Base-Base interactions energy: -378.522 where: short stacking energy: -206.891 Base-Backbone interact. energy: -0.881 local terms energy: -474.478401 where: bonds (distance) C4'-P energy: -151.608 bonds (distance) P-C4' energy: -152.537 flat angles C4'-P-C4' energy: -123.976 flat angles P-C4'-P energy: -62.911 tors. eta vs tors. theta energy: 16.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -870.334648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.334648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.334648 (E_RNA) where: Base-Base interactions energy: -375.969 where: short stacking energy: -227.845 Base-Backbone interact. energy: 2.892 local terms energy: -497.257117 where: bonds (distance) C4'-P energy: -143.465 bonds (distance) P-C4' energy: -150.165 flat angles C4'-P-C4' energy: -114.378 flat angles P-C4'-P energy: -83.573 tors. eta vs tors. theta energy: -5.675 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: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2631.377127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.377127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.377127 (E_RNA) where: Base-Base interactions energy: -1788.725 where: short stacking energy: -776.914 Base-Backbone interact. energy: -0.144 local terms energy: -842.508460 where: bonds (distance) C4'-P energy: -152.597 bonds (distance) P-C4' energy: -163.649 flat angles C4'-P-C4' energy: -185.589 flat angles P-C4'-P energy: -128.592 tors. eta vs tors. theta energy: -212.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2465.577988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.577988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.577988 (E_RNA) where: Base-Base interactions energy: -1630.436 where: short stacking energy: -721.197 Base-Backbone interact. energy: -3.294 local terms energy: -831.847563 where: bonds (distance) C4'-P energy: -154.768 bonds (distance) P-C4' energy: -171.333 flat angles C4'-P-C4' energy: -186.861 flat angles P-C4'-P energy: -111.973 tors. eta vs tors. theta energy: -206.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2337.771475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.771475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.771475 (E_RNA) where: Base-Base interactions energy: -1538.331 where: short stacking energy: -654.365 Base-Backbone interact. energy: -2.427 local terms energy: -797.013639 where: bonds (distance) C4'-P energy: -152.284 bonds (distance) P-C4' energy: -166.673 flat angles C4'-P-C4' energy: -176.443 flat angles P-C4'-P energy: -125.699 tors. eta vs tors. theta energy: -175.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2256.635688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.635688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.635688 (E_RNA) where: Base-Base interactions energy: -1513.825 where: short stacking energy: -657.645 Base-Backbone interact. energy: -2.283 local terms energy: -740.527273 where: bonds (distance) C4'-P energy: -132.960 bonds (distance) P-C4' energy: -158.852 flat angles C4'-P-C4' energy: -170.917 flat angles P-C4'-P energy: -95.043 tors. eta vs tors. theta energy: -182.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1969.704694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.704694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.704694 (E_RNA) where: Base-Base interactions energy: -1262.303 where: short stacking energy: -580.031 Base-Backbone interact. energy: -2.560 local terms energy: -704.841579 where: bonds (distance) C4'-P energy: -145.377 bonds (distance) P-C4' energy: -142.500 flat angles C4'-P-C4' energy: -168.769 flat angles P-C4'-P energy: -105.418 tors. eta vs tors. theta energy: -142.778 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: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1845.529279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.529279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.529279 (E_RNA) where: Base-Base interactions energy: -1156.318 where: short stacking energy: -542.256 Base-Backbone interact. energy: 1.713 local terms energy: -690.924532 where: bonds (distance) C4'-P energy: -140.344 bonds (distance) P-C4' energy: -158.611 flat angles C4'-P-C4' energy: -161.841 flat angles P-C4'-P energy: -101.019 tors. eta vs tors. theta energy: -129.110 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: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1681.050842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.050842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.050842 (E_RNA) where: Base-Base interactions energy: -1060.366 where: short stacking energy: -475.816 Base-Backbone interact. energy: -1.824 local terms energy: -618.861434 where: bonds (distance) C4'-P energy: -144.712 bonds (distance) P-C4' energy: -131.883 flat angles C4'-P-C4' energy: -147.401 flat angles P-C4'-P energy: -88.959 tors. eta vs tors. theta energy: -105.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1190.213567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.213567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.213567 (E_RNA) where: Base-Base interactions energy: -662.106 where: short stacking energy: -356.592 Base-Backbone interact. energy: -0.434 local terms energy: -527.673340 where: bonds (distance) C4'-P energy: -154.216 bonds (distance) P-C4' energy: -141.717 flat angles C4'-P-C4' energy: -134.289 flat angles P-C4'-P energy: -50.207 tors. eta vs tors. theta energy: -47.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -874.272783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.272783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.272783 (E_RNA) where: Base-Base interactions energy: -409.043 where: short stacking energy: -228.849 Base-Backbone interact. energy: -3.682 local terms energy: -461.547650 where: bonds (distance) C4'-P energy: -135.247 bonds (distance) P-C4' energy: -142.044 flat angles C4'-P-C4' energy: -123.652 flat angles P-C4'-P energy: -58.418 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -784.288906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.288906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.288906 (E_RNA) where: Base-Base interactions energy: -337.727 where: short stacking energy: -211.351 Base-Backbone interact. energy: 2.012 local terms energy: -448.574475 where: bonds (distance) C4'-P energy: -118.466 bonds (distance) P-C4' energy: -145.531 flat angles C4'-P-C4' energy: -116.974 flat angles P-C4'-P energy: -89.823 tors. eta vs tors. theta energy: 22.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2639.689903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.689903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.689903 (E_RNA) where: Base-Base interactions energy: -1779.447 where: short stacking energy: -774.212 Base-Backbone interact. energy: 1.773 local terms energy: -862.015819 where: bonds (distance) C4'-P energy: -156.554 bonds (distance) P-C4' energy: -167.033 flat angles C4'-P-C4' energy: -196.101 flat angles P-C4'-P energy: -134.317 tors. eta vs tors. theta energy: -208.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2459.849419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.849419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.849419 (E_RNA) where: Base-Base interactions energy: -1659.152 where: short stacking energy: -755.131 Base-Backbone interact. energy: -1.967 local terms energy: -798.730299 where: bonds (distance) C4'-P energy: -152.232 bonds (distance) P-C4' energy: -140.205 flat angles C4'-P-C4' energy: -179.484 flat angles P-C4'-P energy: -115.250 tors. eta vs tors. theta energy: -211.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2337.378159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.378159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.378159 (E_RNA) where: Base-Base interactions energy: -1557.797 where: short stacking energy: -656.237 Base-Backbone interact. energy: -6.337 local terms energy: -773.243637 where: bonds (distance) C4'-P energy: -150.287 bonds (distance) P-C4' energy: -160.550 flat angles C4'-P-C4' energy: -178.116 flat angles P-C4'-P energy: -111.976 tors. eta vs tors. theta energy: -172.315 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: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2284.668106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.668106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.668106 (E_RNA) where: Base-Base interactions energy: -1525.142 where: short stacking energy: -634.863 Base-Backbone interact. energy: -5.225 local terms energy: -754.300609 where: bonds (distance) C4'-P energy: -147.831 bonds (distance) P-C4' energy: -158.954 flat angles C4'-P-C4' energy: -155.372 flat angles P-C4'-P energy: -122.847 tors. eta vs tors. theta energy: -169.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1977.893580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.893580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.893580 (E_RNA) where: Base-Base interactions energy: -1300.134 where: short stacking energy: -598.958 Base-Backbone interact. energy: -1.293 local terms energy: -676.467341 where: bonds (distance) C4'-P energy: -133.902 bonds (distance) P-C4' energy: -150.289 flat angles C4'-P-C4' energy: -172.470 flat angles P-C4'-P energy: -75.738 tors. eta vs tors. theta energy: -144.068 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: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1922.390961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.390961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.390961 (E_RNA) where: Base-Base interactions energy: -1257.487 where: short stacking energy: -573.792 Base-Backbone interact. energy: 0.547 local terms energy: -665.451688 where: bonds (distance) C4'-P energy: -144.918 bonds (distance) P-C4' energy: -121.014 flat angles C4'-P-C4' energy: -158.639 flat angles P-C4'-P energy: -100.589 tors. eta vs tors. theta energy: -140.292 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: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1598.754651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.754651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.754651 (E_RNA) where: Base-Base interactions energy: -1003.398 where: short stacking energy: -442.863 Base-Backbone interact. energy: -2.314 local terms energy: -593.042249 where: bonds (distance) C4'-P energy: -138.837 bonds (distance) P-C4' energy: -137.845 flat angles C4'-P-C4' energy: -165.242 flat angles P-C4'-P energy: -56.620 tors. eta vs tors. theta energy: -94.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1180.874868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.874868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.874868 (E_RNA) where: Base-Base interactions energy: -681.562 where: short stacking energy: -328.826 Base-Backbone interact. energy: 2.510 local terms energy: -501.822642 where: bonds (distance) C4'-P energy: -132.027 bonds (distance) P-C4' energy: -149.162 flat angles C4'-P-C4' energy: -117.468 flat angles P-C4'-P energy: -63.332 tors. eta vs tors. theta energy: -39.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -865.912231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.912231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.912231 (E_RNA) where: Base-Base interactions energy: -409.515 where: short stacking energy: -240.441 Base-Backbone interact. energy: 10.077 local terms energy: -466.473436 where: bonds (distance) C4'-P energy: -141.183 bonds (distance) P-C4' energy: -147.002 flat angles C4'-P-C4' energy: -118.592 flat angles P-C4'-P energy: -57.714 tors. eta vs tors. theta energy: -1.983 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: 6 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -823.816769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.816769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.816769 (E_RNA) where: Base-Base interactions energy: -399.495 where: short stacking energy: -205.837 Base-Backbone interact. energy: 2.170 local terms energy: -426.491639 where: bonds (distance) C4'-P energy: -109.243 bonds (distance) P-C4' energy: -137.262 flat angles C4'-P-C4' energy: -108.925 flat angles P-C4'-P energy: -62.793 tors. eta vs tors. theta energy: -8.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2677.404204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.404204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.404204 (E_RNA) where: Base-Base interactions energy: -1805.815 where: short stacking energy: -780.044 Base-Backbone interact. energy: -4.494 local terms energy: -867.095131 where: bonds (distance) C4'-P energy: -164.578 bonds (distance) P-C4' energy: -164.165 flat angles C4'-P-C4' energy: -195.845 flat angles P-C4'-P energy: -122.543 tors. eta vs tors. theta energy: -219.964 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: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2447.031139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.031139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.031139 (E_RNA) where: Base-Base interactions energy: -1590.586 where: short stacking energy: -714.489 Base-Backbone interact. energy: -1.199 local terms energy: -855.246384 where: bonds (distance) C4'-P energy: -167.838 bonds (distance) P-C4' energy: -169.646 flat angles C4'-P-C4' energy: -187.635 flat angles P-C4'-P energy: -125.850 tors. eta vs tors. theta energy: -204.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2365.858081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.858081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.858081 (E_RNA) where: Base-Base interactions energy: -1588.085 where: short stacking energy: -683.799 Base-Backbone interact. energy: -4.258 local terms energy: -773.514616 where: bonds (distance) C4'-P energy: -155.781 bonds (distance) P-C4' energy: -156.071 flat angles C4'-P-C4' energy: -161.332 flat angles P-C4'-P energy: -117.324 tors. eta vs tors. theta energy: -183.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2307.012369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.012369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.012369 (E_RNA) where: Base-Base interactions energy: -1494.150 where: short stacking energy: -671.340 Base-Backbone interact. energy: -2.303 local terms energy: -810.558850 where: bonds (distance) C4'-P energy: -160.940 bonds (distance) P-C4' energy: -180.585 flat angles C4'-P-C4' energy: -174.697 flat angles P-C4'-P energy: -107.474 tors. eta vs tors. theta energy: -186.862 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: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2026.410992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.410992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.410992 (E_RNA) where: Base-Base interactions energy: -1304.616 where: short stacking energy: -593.543 Base-Backbone interact. energy: -2.686 local terms energy: -719.109752 where: bonds (distance) C4'-P energy: -155.333 bonds (distance) P-C4' energy: -141.227 flat angles C4'-P-C4' energy: -166.174 flat angles P-C4'-P energy: -117.836 tors. eta vs tors. theta energy: -138.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1854.647289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.647289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.647289 (E_RNA) where: Base-Base interactions energy: -1174.936 where: short stacking energy: -521.882 Base-Backbone interact. energy: 1.610 local terms energy: -681.322141 where: bonds (distance) C4'-P energy: -158.860 bonds (distance) P-C4' energy: -139.671 flat angles C4'-P-C4' energy: -149.773 flat angles P-C4'-P energy: -105.257 tors. eta vs tors. theta energy: -127.761 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: 7, replica: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1587.247929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.247929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.247929 (E_RNA) where: Base-Base interactions energy: -995.911 where: short stacking energy: -464.038 Base-Backbone interact. energy: 1.289 local terms energy: -592.626014 where: bonds (distance) C4'-P energy: -137.516 bonds (distance) P-C4' energy: -135.599 flat angles C4'-P-C4' energy: -153.772 flat angles P-C4'-P energy: -68.980 tors. eta vs tors. theta energy: -96.759 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: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1213.368035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.368035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.368035 (E_RNA) where: Base-Base interactions energy: -683.941 where: short stacking energy: -347.282 Base-Backbone interact. energy: 1.247 local terms energy: -530.674156 where: bonds (distance) C4'-P energy: -145.284 bonds (distance) P-C4' energy: -155.663 flat angles C4'-P-C4' energy: -121.719 flat angles P-C4'-P energy: -81.061 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: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -885.336586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.336586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.336586 (E_RNA) where: Base-Base interactions energy: -421.699 where: short stacking energy: -256.434 Base-Backbone interact. energy: 4.152 local terms energy: -467.789924 where: bonds (distance) C4'-P energy: -130.555 bonds (distance) P-C4' energy: -129.539 flat angles C4'-P-C4' energy: -130.239 flat angles P-C4'-P energy: -54.015 tors. eta vs tors. theta energy: -23.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -774.436585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.436585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.436585 (E_RNA) where: Base-Base interactions energy: -372.281 where: short stacking energy: -209.073 Base-Backbone interact. energy: 2.585 local terms energy: -404.740349 where: bonds (distance) C4'-P energy: -122.495 bonds (distance) P-C4' energy: -108.857 flat angles C4'-P-C4' energy: -129.775 flat angles P-C4'-P energy: -61.131 tors. eta vs tors. theta energy: 17.518 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: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2740.248777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.248777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.248777 (E_RNA) where: Base-Base interactions energy: -1857.593 where: short stacking energy: -804.270 Base-Backbone interact. energy: 0.470 local terms energy: -883.126354 where: bonds (distance) C4'-P energy: -161.789 bonds (distance) P-C4' energy: -181.835 flat angles C4'-P-C4' energy: -193.604 flat angles P-C4'-P energy: -120.432 tors. eta vs tors. theta energy: -225.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2444.158435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.158435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.158435 (E_RNA) where: Base-Base interactions energy: -1587.035 where: short stacking energy: -719.255 Base-Backbone interact. energy: -3.564 local terms energy: -853.560242 where: bonds (distance) C4'-P energy: -168.340 bonds (distance) P-C4' energy: -174.202 flat angles C4'-P-C4' energy: -174.061 flat angles P-C4'-P energy: -123.116 tors. eta vs tors. theta energy: -213.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2382.354294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.354294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.354294 (E_RNA) where: Base-Base interactions energy: -1623.931 where: short stacking energy: -645.762 Base-Backbone interact. energy: -3.260 local terms energy: -755.162696 where: bonds (distance) C4'-P energy: -145.963 bonds (distance) P-C4' energy: -164.809 flat angles C4'-P-C4' energy: -167.268 flat angles P-C4'-P energy: -91.674 tors. eta vs tors. theta energy: -185.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2289.776967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.776967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.776967 (E_RNA) where: Base-Base interactions energy: -1530.420 where: short stacking energy: -667.754 Base-Backbone interact. energy: -2.212 local terms energy: -757.144455 where: bonds (distance) C4'-P energy: -134.086 bonds (distance) P-C4' energy: -154.978 flat angles C4'-P-C4' energy: -165.158 flat angles P-C4'-P energy: -115.556 tors. eta vs tors. theta energy: -187.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2049.292449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.292449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.292449 (E_RNA) where: Base-Base interactions energy: -1332.720 where: short stacking energy: -587.335 Base-Backbone interact. energy: -3.938 local terms energy: -712.635013 where: bonds (distance) C4'-P energy: -143.340 bonds (distance) P-C4' energy: -146.939 flat angles C4'-P-C4' energy: -161.216 flat angles P-C4'-P energy: -97.079 tors. eta vs tors. theta energy: -164.062 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: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1807.767756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.767756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.767756 (E_RNA) where: Base-Base interactions energy: -1149.948 where: short stacking energy: -537.109 Base-Backbone interact. energy: -1.480 local terms energy: -656.340076 where: bonds (distance) C4'-P energy: -154.398 bonds (distance) P-C4' energy: -145.723 flat angles C4'-P-C4' energy: -144.565 flat angles P-C4'-P energy: -88.638 tors. eta vs tors. theta energy: -123.017 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: 1 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1645.735070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.735070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.735070 (E_RNA) where: Base-Base interactions energy: -1050.036 where: short stacking energy: -474.494 Base-Backbone interact. energy: 1.463 local terms energy: -597.161983 where: bonds (distance) C4'-P energy: -142.484 bonds (distance) P-C4' energy: -122.840 flat angles C4'-P-C4' energy: -148.165 flat angles P-C4'-P energy: -86.971 tors. eta vs tors. theta energy: -96.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1194.917109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.917109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.917109 (E_RNA) where: Base-Base interactions energy: -647.359 where: short stacking energy: -336.551 Base-Backbone interact. energy: -1.534 local terms energy: -546.023376 where: bonds (distance) C4'-P energy: -155.154 bonds (distance) P-C4' energy: -134.322 flat angles C4'-P-C4' energy: -133.069 flat angles P-C4'-P energy: -85.554 tors. eta vs tors. theta energy: -37.924 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: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -924.376496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.376496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.376496 (E_RNA) where: Base-Base interactions energy: -432.007 where: short stacking energy: -263.999 Base-Backbone interact. energy: -1.372 local terms energy: -490.997420 where: bonds (distance) C4'-P energy: -117.631 bonds (distance) P-C4' energy: -152.454 flat angles C4'-P-C4' energy: -124.688 flat angles P-C4'-P energy: -70.269 tors. eta vs tors. theta energy: -25.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -814.394901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.394901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.394901 (E_RNA) where: Base-Base interactions energy: -406.756 where: short stacking energy: -253.831 Base-Backbone interact. energy: -1.146 local terms energy: -406.492713 where: bonds (distance) C4'-P energy: -101.969 bonds (distance) P-C4' energy: -135.797 flat angles C4'-P-C4' energy: -111.889 flat angles P-C4'-P energy: -62.281 tors. eta vs tors. theta energy: 5.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2660.144137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.144137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.144137 (E_RNA) where: Base-Base interactions energy: -1800.903 where: short stacking energy: -782.071 Base-Backbone interact. energy: -0.378 local terms energy: -858.863273 where: bonds (distance) C4'-P energy: -160.626 bonds (distance) P-C4' energy: -168.564 flat angles C4'-P-C4' energy: -194.453 flat angles P-C4'-P energy: -131.018 tors. eta vs tors. theta energy: -204.202 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: 2, replica: 8 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2497.124148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.124148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.124148 (E_RNA) where: Base-Base interactions energy: -1712.492 where: short stacking energy: -673.413 Base-Backbone interact. energy: -0.389 local terms energy: -784.243052 where: bonds (distance) C4'-P energy: -171.241 bonds (distance) P-C4' energy: -164.295 flat angles C4'-P-C4' energy: -156.332 flat angles P-C4'-P energy: -110.381 tors. eta vs tors. theta energy: -181.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2344.207021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.207021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.207021 (E_RNA) where: Base-Base interactions energy: -1541.891 where: short stacking energy: -698.120 Base-Backbone interact. energy: -1.020 local terms energy: -801.296302 where: bonds (distance) C4'-P energy: -166.628 bonds (distance) P-C4' energy: -163.217 flat angles C4'-P-C4' energy: -168.514 flat angles P-C4'-P energy: -110.445 tors. eta vs tors. theta energy: -192.493 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: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2283.522375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.522375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.522375 (E_RNA) where: Base-Base interactions energy: -1546.501 where: short stacking energy: -673.378 Base-Backbone interact. energy: -3.996 local terms energy: -733.025465 where: bonds (distance) C4'-P energy: -146.253 bonds (distance) P-C4' energy: -149.053 flat angles C4'-P-C4' energy: -166.951 flat angles P-C4'-P energy: -95.830 tors. eta vs tors. theta energy: -174.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2089.759999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.759999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.759999 (E_RNA) where: Base-Base interactions energy: -1351.029 where: short stacking energy: -634.092 Base-Backbone interact. energy: -3.586 local terms energy: -735.145102 where: bonds (distance) C4'-P energy: -131.847 bonds (distance) P-C4' energy: -154.104 flat angles C4'-P-C4' energy: -171.990 flat angles P-C4'-P energy: -110.839 tors. eta vs tors. theta energy: -166.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1781.324262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.324262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.324262 (E_RNA) where: Base-Base interactions energy: -1107.580 where: short stacking energy: -527.946 Base-Backbone interact. energy: -5.023 local terms energy: -668.720476 where: bonds (distance) C4'-P energy: -147.560 bonds (distance) P-C4' energy: -149.197 flat angles C4'-P-C4' energy: -140.889 flat angles P-C4'-P energy: -105.516 tors. eta vs tors. theta energy: -125.558 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: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1645.132726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.132726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.132726 (E_RNA) where: Base-Base interactions energy: -1037.796 where: short stacking energy: -478.492 Base-Backbone interact. energy: -2.341 local terms energy: -604.995736 where: bonds (distance) C4'-P energy: -153.419 bonds (distance) P-C4' energy: -157.040 flat angles C4'-P-C4' energy: -111.608 flat angles P-C4'-P energy: -85.364 tors. eta vs tors. theta energy: -97.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1102.790341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.790341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.790341 (E_RNA) where: Base-Base interactions energy: -604.391 where: short stacking energy: -313.503 Base-Backbone interact. energy: -0.157 local terms energy: -498.241429 where: bonds (distance) C4'-P energy: -123.514 bonds (distance) P-C4' energy: -150.330 flat angles C4'-P-C4' energy: -117.370 flat angles P-C4'-P energy: -72.246 tors. eta vs tors. theta energy: -34.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -887.081472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.081472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.081472 (E_RNA) where: Base-Base interactions energy: -417.925 where: short stacking energy: -251.341 Base-Backbone interact. energy: 2.606 local terms energy: -471.762320 where: bonds (distance) C4'-P energy: -132.085 bonds (distance) P-C4' energy: -153.446 flat angles C4'-P-C4' energy: -128.981 flat angles P-C4'-P energy: -53.660 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -813.327428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.327428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.327428 (E_RNA) where: Base-Base interactions energy: -371.505 where: short stacking energy: -217.691 Base-Backbone interact. energy: 0.297 local terms energy: -442.119273 where: bonds (distance) C4'-P energy: -140.094 bonds (distance) P-C4' energy: -142.701 flat angles C4'-P-C4' energy: -113.616 flat angles P-C4'-P energy: -55.971 tors. eta vs tors. theta energy: 10.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2645.207425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.207425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.207425 (E_RNA) where: Base-Base interactions energy: -1801.273 where: short stacking energy: -779.641 Base-Backbone interact. energy: 0.131 local terms energy: -844.065262 where: bonds (distance) C4'-P energy: -162.925 bonds (distance) P-C4' energy: -176.219 flat angles C4'-P-C4' energy: -181.258 flat angles P-C4'-P energy: -108.821 tors. eta vs tors. theta energy: -214.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2515.807055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.807055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.807055 (E_RNA) where: Base-Base interactions energy: -1719.649 where: short stacking energy: -676.873 Base-Backbone interact. energy: -3.812 local terms energy: -792.345932 where: bonds (distance) C4'-P energy: -155.524 bonds (distance) P-C4' energy: -157.559 flat angles C4'-P-C4' energy: -176.684 flat angles P-C4'-P energy: -115.518 tors. eta vs tors. theta energy: -187.061 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: 3, replica: 3 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2356.198835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.198835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.198835 (E_RNA) where: Base-Base interactions energy: -1523.021 where: short stacking energy: -691.431 Base-Backbone interact. energy: -3.410 local terms energy: -829.768270 where: bonds (distance) C4'-P energy: -173.694 bonds (distance) P-C4' energy: -167.687 flat angles C4'-P-C4' energy: -179.901 flat angles P-C4'-P energy: -119.916 tors. eta vs tors. theta energy: -188.571 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: 76 Temperature: 1.050000 Total energy: -2350.456112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.456112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.456112 (E_RNA) where: Base-Base interactions energy: -1569.373 where: short stacking energy: -702.684 Base-Backbone interact. energy: -5.661 local terms energy: -775.421679 where: bonds (distance) C4'-P energy: -130.136 bonds (distance) P-C4' energy: -172.329 flat angles C4'-P-C4' energy: -163.743 flat angles P-C4'-P energy: -107.860 tors. eta vs tors. theta energy: -201.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2069.280316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.280316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.280316 (E_RNA) where: Base-Base interactions energy: -1331.933 where: short stacking energy: -595.208 Base-Backbone interact. energy: -1.784 local terms energy: -735.563518 where: bonds (distance) C4'-P energy: -139.556 bonds (distance) P-C4' energy: -136.592 flat angles C4'-P-C4' energy: -175.522 flat angles P-C4'-P energy: -114.555 tors. eta vs tors. theta energy: -169.339 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: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1763.860217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.860217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.860217 (E_RNA) where: Base-Base interactions energy: -1109.702 where: short stacking energy: -491.025 Base-Backbone interact. energy: 1.222 local terms energy: -655.380297 where: bonds (distance) C4'-P energy: -145.820 bonds (distance) P-C4' energy: -164.473 flat angles C4'-P-C4' energy: -144.484 flat angles P-C4'-P energy: -84.156 tors. eta vs tors. theta energy: -116.447 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: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1677.040773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.040773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.040773 (E_RNA) where: Base-Base interactions energy: -1076.780 where: short stacking energy: -505.959 Base-Backbone interact. energy: -1.113 local terms energy: -599.147681 where: bonds (distance) C4'-P energy: -135.822 bonds (distance) P-C4' energy: -134.690 flat angles C4'-P-C4' energy: -138.017 flat angles P-C4'-P energy: -79.062 tors. eta vs tors. theta energy: -111.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1095.701244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.701244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.701244 (E_RNA) where: Base-Base interactions energy: -613.646 where: short stacking energy: -364.990 Base-Backbone interact. energy: -0.000 local terms energy: -482.054667 where: bonds (distance) C4'-P energy: -127.100 bonds (distance) P-C4' energy: -145.998 flat angles C4'-P-C4' energy: -129.089 flat angles P-C4'-P energy: -51.125 tors. eta vs tors. theta energy: -28.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -874.970503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.970503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.970503 (E_RNA) where: Base-Base interactions energy: -426.658 where: short stacking energy: -239.679 Base-Backbone interact. energy: 0.808 local terms energy: -449.120683 where: bonds (distance) C4'-P energy: -123.017 bonds (distance) P-C4' energy: -152.276 flat angles C4'-P-C4' energy: -134.568 flat angles P-C4'-P energy: -75.227 tors. eta vs tors. theta energy: 35.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -815.478400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.478400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.478400 (E_RNA) where: Base-Base interactions energy: -383.450 where: short stacking energy: -204.792 Base-Backbone interact. energy: 1.516 local terms energy: -433.544235 where: bonds (distance) C4'-P energy: -122.288 bonds (distance) P-C4' energy: -152.414 flat angles C4'-P-C4' energy: -125.240 flat angles P-C4'-P energy: -73.289 tors. eta vs tors. theta energy: 39.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2625.286221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.286221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.286221 (E_RNA) where: Base-Base interactions energy: -1787.527 where: short stacking energy: -774.983 Base-Backbone interact. energy: -0.844 local terms energy: -836.914483 where: bonds (distance) C4'-P energy: -155.929 bonds (distance) P-C4' energy: -156.202 flat angles C4'-P-C4' energy: -179.828 flat angles P-C4'-P energy: -129.130 tors. eta vs tors. theta energy: -215.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2564.999644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.999644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.999644 (E_RNA) where: Base-Base interactions energy: -1771.575 where: short stacking energy: -724.607 Base-Backbone interact. energy: -1.155 local terms energy: -792.269990 where: bonds (distance) C4'-P energy: -159.769 bonds (distance) P-C4' energy: -160.566 flat angles C4'-P-C4' energy: -159.033 flat angles P-C4'-P energy: -121.508 tors. eta vs tors. theta energy: -191.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2346.440429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.440429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.440429 (E_RNA) where: Base-Base interactions energy: -1568.797 where: short stacking energy: -683.474 Base-Backbone interact. energy: -2.764 local terms energy: -774.879117 where: bonds (distance) C4'-P energy: -145.515 bonds (distance) P-C4' energy: -165.997 flat angles C4'-P-C4' energy: -174.892 flat angles P-C4'-P energy: -100.420 tors. eta vs tors. theta energy: -188.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2276.014758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.014758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.014758 (E_RNA) where: Base-Base interactions energy: -1510.010 where: short stacking energy: -629.468 Base-Backbone interact. energy: -4.163 local terms energy: -761.841445 where: bonds (distance) C4'-P energy: -163.509 bonds (distance) P-C4' energy: -171.433 flat angles C4'-P-C4' energy: -164.395 flat angles P-C4'-P energy: -95.170 tors. eta vs tors. theta energy: -167.334 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: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2106.696660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.696660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.696660 (E_RNA) where: Base-Base interactions energy: -1370.616 where: short stacking energy: -620.486 Base-Backbone interact. energy: -2.079 local terms energy: -734.002302 where: bonds (distance) C4'-P energy: -146.196 bonds (distance) P-C4' energy: -136.401 flat angles C4'-P-C4' energy: -165.206 flat angles P-C4'-P energy: -118.252 tors. eta vs tors. theta energy: -167.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1805.258057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.258057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.258057 (E_RNA) where: Base-Base interactions energy: -1142.388 where: short stacking energy: -557.481 Base-Backbone interact. energy: -2.386 local terms energy: -660.484252 where: bonds (distance) C4'-P energy: -144.820 bonds (distance) P-C4' energy: -119.038 flat angles C4'-P-C4' energy: -158.570 flat angles P-C4'-P energy: -98.446 tors. eta vs tors. theta energy: -139.611 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: 7, replica: 2 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1692.876421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.876421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.876421 (E_RNA) where: Base-Base interactions energy: -1083.217 where: short stacking energy: -472.339 Base-Backbone interact. energy: -2.232 local terms energy: -607.426661 where: bonds (distance) C4'-P energy: -135.013 bonds (distance) P-C4' energy: -140.679 flat angles C4'-P-C4' energy: -136.669 flat angles P-C4'-P energy: -92.011 tors. eta vs tors. theta energy: -103.055 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: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1110.604504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.604504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.604504 (E_RNA) where: Base-Base interactions energy: -613.921 where: short stacking energy: -327.535 Base-Backbone interact. energy: -3.105 local terms energy: -493.577952 where: bonds (distance) C4'-P energy: -144.038 bonds (distance) P-C4' energy: -119.890 flat angles C4'-P-C4' energy: -129.976 flat angles P-C4'-P energy: -77.639 tors. eta vs tors. theta energy: -22.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -934.944972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.944972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.944972 (E_RNA) where: Base-Base interactions energy: -477.221 where: short stacking energy: -270.546 Base-Backbone interact. energy: 7.165 local terms energy: -464.888893 where: bonds (distance) C4'-P energy: -135.142 bonds (distance) P-C4' energy: -141.428 flat angles C4'-P-C4' energy: -123.331 flat angles P-C4'-P energy: -66.867 tors. eta vs tors. theta energy: 1.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -830.456371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.456371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.456371 (E_RNA) where: Base-Base interactions energy: -424.767 where: short stacking energy: -245.467 Base-Backbone interact. energy: 1.818 local terms energy: -407.507087 where: bonds (distance) C4'-P energy: -128.622 bonds (distance) P-C4' energy: -129.979 flat angles C4'-P-C4' energy: -113.982 flat angles P-C4'-P energy: -46.537 tors. eta vs tors. theta energy: 11.613 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: 78 Temperature: 0.900000 Total energy: -2664.983466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.983466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.983466 (E_RNA) where: Base-Base interactions energy: -1798.488 where: short stacking energy: -772.622 Base-Backbone interact. energy: -2.068 local terms energy: -864.427358 where: bonds (distance) C4'-P energy: -163.624 bonds (distance) P-C4' energy: -174.001 flat angles C4'-P-C4' energy: -197.551 flat angles P-C4'-P energy: -112.814 tors. eta vs tors. theta energy: -216.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2536.600276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.600276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.600276 (E_RNA) where: Base-Base interactions energy: -1730.280 where: short stacking energy: -693.323 Base-Backbone interact. energy: -2.714 local terms energy: -803.606065 where: bonds (distance) C4'-P energy: -152.635 bonds (distance) P-C4' energy: -153.704 flat angles C4'-P-C4' energy: -186.180 flat angles P-C4'-P energy: -113.485 tors. eta vs tors. theta energy: -197.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2397.845395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.845395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.845395 (E_RNA) where: Base-Base interactions energy: -1630.054 where: short stacking energy: -690.494 Base-Backbone interact. energy: -2.119 local terms energy: -765.672437 where: bonds (distance) C4'-P energy: -132.744 bonds (distance) P-C4' energy: -150.668 flat angles C4'-P-C4' energy: -177.129 flat angles P-C4'-P energy: -111.171 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: 7 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2256.891129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.891129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.891129 (E_RNA) where: Base-Base interactions energy: -1480.481 where: short stacking energy: -665.063 Base-Backbone interact. energy: 1.144 local terms energy: -777.553574 where: bonds (distance) C4'-P energy: -162.111 bonds (distance) P-C4' energy: -169.319 flat angles C4'-P-C4' energy: -175.369 flat angles P-C4'-P energy: -101.261 tors. eta vs tors. theta energy: -169.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2062.175592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.175592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.175592 (E_RNA) where: Base-Base interactions energy: -1360.364 where: short stacking energy: -625.044 Base-Backbone interact. energy: -2.791 local terms energy: -699.020862 where: bonds (distance) C4'-P energy: -133.485 bonds (distance) P-C4' energy: -134.625 flat angles C4'-P-C4' energy: -164.620 flat angles P-C4'-P energy: -100.516 tors. eta vs tors. theta energy: -165.774 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: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1807.215725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.215725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.215725 (E_RNA) where: Base-Base interactions energy: -1185.111 where: short stacking energy: -553.935 Base-Backbone interact. energy: -1.218 local terms energy: -620.886449 where: bonds (distance) C4'-P energy: -132.212 bonds (distance) P-C4' energy: -152.150 flat angles C4'-P-C4' energy: -136.483 flat angles P-C4'-P energy: -76.692 tors. eta vs tors. theta energy: -123.350 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: 2 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1709.691155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.691155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.691155 (E_RNA) where: Base-Base interactions energy: -1099.264 where: short stacking energy: -506.913 Base-Backbone interact. energy: -2.623 local terms energy: -607.804225 where: bonds (distance) C4'-P energy: -123.956 bonds (distance) P-C4' energy: -140.754 flat angles C4'-P-C4' energy: -134.237 flat angles P-C4'-P energy: -84.943 tors. eta vs tors. theta energy: -123.914 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: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1112.238861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.238861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.238861 (E_RNA) where: Base-Base interactions energy: -607.953 where: short stacking energy: -326.101 Base-Backbone interact. energy: 5.233 local terms energy: -509.518977 where: bonds (distance) C4'-P energy: -135.203 bonds (distance) P-C4' energy: -141.712 flat angles C4'-P-C4' energy: -112.043 flat angles P-C4'-P energy: -77.458 tors. eta vs tors. theta energy: -43.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -897.021542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.021542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.021542 (E_RNA) where: Base-Base interactions energy: -458.116 where: short stacking energy: -237.328 Base-Backbone interact. energy: -4.573 local terms energy: -434.332249 where: bonds (distance) C4'-P energy: -131.916 bonds (distance) P-C4' energy: -148.490 flat angles C4'-P-C4' energy: -122.193 flat angles P-C4'-P energy: -50.168 tors. eta vs tors. theta energy: 18.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -789.845878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.845878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.845878 (E_RNA) where: Base-Base interactions energy: -406.547 where: short stacking energy: -236.178 Base-Backbone interact. energy: -5.863 local terms energy: -377.435985 where: bonds (distance) C4'-P energy: -105.135 bonds (distance) P-C4' energy: -128.745 flat angles C4'-P-C4' energy: -109.676 flat angles P-C4'-P energy: -54.913 tors. eta vs tors. theta energy: 21.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2671.339653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.339653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.339653 (E_RNA) where: Base-Base interactions energy: -1798.531 where: short stacking energy: -789.158 Base-Backbone interact. energy: 3.990 local terms energy: -876.798116 where: bonds (distance) C4'-P energy: -164.683 bonds (distance) P-C4' energy: -174.139 flat angles C4'-P-C4' energy: -194.620 flat angles P-C4'-P energy: -123.831 tors. eta vs tors. theta energy: -219.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2569.985856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.985856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.985856 (E_RNA) where: Base-Base interactions energy: -1725.926 where: short stacking energy: -711.844 Base-Backbone interact. energy: -2.088 local terms energy: -841.971173 where: bonds (distance) C4'-P energy: -161.450 bonds (distance) P-C4' energy: -174.626 flat angles C4'-P-C4' energy: -183.862 flat angles P-C4'-P energy: -106.483 tors. eta vs tors. theta energy: -215.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2397.150666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.150666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.150666 (E_RNA) where: Base-Base interactions energy: -1610.232 where: short stacking energy: -702.285 Base-Backbone interact. energy: -5.339 local terms energy: -781.580043 where: bonds (distance) C4'-P energy: -144.354 bonds (distance) P-C4' energy: -159.875 flat angles C4'-P-C4' energy: -187.907 flat angles P-C4'-P energy: -93.484 tors. eta vs tors. theta energy: -195.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2304.256446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.256446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.256446 (E_RNA) where: Base-Base interactions energy: -1528.788 where: short stacking energy: -689.398 Base-Backbone interact. energy: -2.146 local terms energy: -773.322521 where: bonds (distance) C4'-P energy: -135.348 bonds (distance) P-C4' energy: -141.254 flat angles C4'-P-C4' energy: -177.213 flat angles P-C4'-P energy: -114.718 tors. eta vs tors. theta energy: -204.789 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: 5, replica: 10 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2120.133254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.133254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.133254 (E_RNA) where: Base-Base interactions energy: -1378.106 where: short stacking energy: -617.392 Base-Backbone interact. energy: -2.483 local terms energy: -739.544508 where: bonds (distance) C4'-P energy: -143.307 bonds (distance) P-C4' energy: -148.680 flat angles C4'-P-C4' energy: -167.488 flat angles P-C4'-P energy: -101.890 tors. eta vs tors. theta energy: -178.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1818.490127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.490127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.490127 (E_RNA) where: Base-Base interactions energy: -1189.523 where: short stacking energy: -530.663 Base-Backbone interact. energy: -1.925 local terms energy: -627.042185 where: bonds (distance) C4'-P energy: -105.905 bonds (distance) P-C4' energy: -145.713 flat angles C4'-P-C4' energy: -157.951 flat angles P-C4'-P energy: -98.722 tors. eta vs tors. theta energy: -118.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1744.931702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.931702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.931702 (E_RNA) where: Base-Base interactions energy: -1068.846 where: short stacking energy: -489.511 Base-Backbone interact. energy: -1.906 local terms energy: -674.179821 where: bonds (distance) C4'-P energy: -148.866 bonds (distance) P-C4' energy: -152.684 flat angles C4'-P-C4' energy: -157.756 flat angles P-C4'-P energy: -106.118 tors. eta vs tors. theta energy: -108.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1103.602575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.602575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.602575 (E_RNA) where: Base-Base interactions energy: -604.309 where: short stacking energy: -338.203 Base-Backbone interact. energy: -1.935 local terms energy: -497.358503 where: bonds (distance) C4'-P energy: -123.750 bonds (distance) P-C4' energy: -147.950 flat angles C4'-P-C4' energy: -126.419 flat angles P-C4'-P energy: -65.451 tors. eta vs tors. theta energy: -33.788 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: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -907.913333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.913333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.913333 (E_RNA) where: Base-Base interactions energy: -477.119 where: short stacking energy: -254.209 Base-Backbone interact. energy: -3.585 local terms energy: -427.209614 where: bonds (distance) C4'-P energy: -137.765 bonds (distance) P-C4' energy: -139.299 flat angles C4'-P-C4' energy: -98.728 flat angles P-C4'-P energy: -67.917 tors. eta vs tors. theta energy: 16.499 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: 6 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -791.709049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.709049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.709049 (E_RNA) where: Base-Base interactions energy: -379.917 where: short stacking energy: -203.273 Base-Backbone interact. energy: 7.735 local terms energy: -419.526236 where: bonds (distance) C4'-P energy: -128.577 bonds (distance) P-C4' energy: -142.706 flat angles C4'-P-C4' energy: -108.030 flat angles P-C4'-P energy: -50.900 tors. eta vs tors. theta energy: 10.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2658.678872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.678872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.678872 (E_RNA) where: Base-Base interactions energy: -1807.212 where: short stacking energy: -800.486 Base-Backbone interact. energy: -3.631 local terms energy: -847.835958 where: bonds (distance) C4'-P energy: -163.616 bonds (distance) P-C4' energy: -162.185 flat angles C4'-P-C4' energy: -176.280 flat angles P-C4'-P energy: -132.166 tors. eta vs tors. theta energy: -213.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2581.220540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.220540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.220540 (E_RNA) where: Base-Base interactions energy: -1754.518 where: short stacking energy: -704.510 Base-Backbone interact. energy: -2.156 local terms energy: -824.546293 where: bonds (distance) C4'-P energy: -168.554 bonds (distance) P-C4' energy: -153.943 flat angles C4'-P-C4' energy: -191.473 flat angles P-C4'-P energy: -111.909 tors. eta vs tors. theta energy: -198.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2376.891572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.891572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.891572 (E_RNA) where: Base-Base interactions energy: -1579.168 where: short stacking energy: -686.034 Base-Backbone interact. energy: -0.334 local terms energy: -797.389468 where: bonds (distance) C4'-P energy: -168.027 bonds (distance) P-C4' energy: -146.714 flat angles C4'-P-C4' energy: -184.854 flat angles P-C4'-P energy: -109.025 tors. eta vs tors. theta energy: -188.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2238.345779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.345779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.345779 (E_RNA) where: Base-Base interactions energy: -1464.286 where: short stacking energy: -639.908 Base-Backbone interact. energy: -3.215 local terms energy: -770.844433 where: bonds (distance) C4'-P energy: -155.350 bonds (distance) P-C4' energy: -162.947 flat angles C4'-P-C4' energy: -167.798 flat angles P-C4'-P energy: -111.795 tors. eta vs tors. theta energy: -172.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2159.519374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.519374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.519374 (E_RNA) where: Base-Base interactions energy: -1416.372 where: short stacking energy: -648.505 Base-Backbone interact. energy: 0.369 local terms energy: -743.516360 where: bonds (distance) C4'-P energy: -150.866 bonds (distance) P-C4' energy: -146.510 flat angles C4'-P-C4' energy: -170.437 flat angles P-C4'-P energy: -104.379 tors. eta vs tors. theta energy: -171.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1849.558243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.558243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.558243 (E_RNA) where: Base-Base interactions energy: -1181.175 where: short stacking energy: -540.710 Base-Backbone interact. energy: 6.657 local terms energy: -675.040379 where: bonds (distance) C4'-P energy: -142.881 bonds (distance) P-C4' energy: -138.653 flat angles C4'-P-C4' energy: -165.592 flat angles P-C4'-P energy: -88.553 tors. eta vs tors. theta energy: -139.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1664.351428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.351428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.351428 (E_RNA) where: Base-Base interactions energy: -1056.728 where: short stacking energy: -502.529 Base-Backbone interact. energy: 2.815 local terms energy: -610.438345 where: bonds (distance) C4'-P energy: -129.944 bonds (distance) P-C4' energy: -144.256 flat angles C4'-P-C4' energy: -145.347 flat angles P-C4'-P energy: -84.388 tors. eta vs tors. theta energy: -106.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1097.454514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.454514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.454514 (E_RNA) where: Base-Base interactions energy: -639.382 where: short stacking energy: -361.625 Base-Backbone interact. energy: -2.357 local terms energy: -455.715762 where: bonds (distance) C4'-P energy: -132.839 bonds (distance) P-C4' energy: -127.442 flat angles C4'-P-C4' energy: -85.521 flat angles P-C4'-P energy: -92.303 tors. eta vs tors. theta energy: -17.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1004.392064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.392064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.392064 (E_RNA) where: Base-Base interactions energy: -522.814 where: short stacking energy: -283.355 Base-Backbone interact. energy: -0.779 local terms energy: -480.799168 where: bonds (distance) C4'-P energy: -136.101 bonds (distance) P-C4' energy: -133.881 flat angles C4'-P-C4' energy: -102.120 flat angles P-C4'-P energy: -85.300 tors. eta vs tors. theta energy: -23.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -726.454619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.454619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.454619 (E_RNA) where: Base-Base interactions energy: -286.516 where: short stacking energy: -185.218 Base-Backbone interact. energy: 10.020 local terms energy: -449.958261 where: bonds (distance) C4'-P energy: -132.170 bonds (distance) P-C4' energy: -128.214 flat angles C4'-P-C4' energy: -128.152 flat angles P-C4'-P energy: -82.228 tors. eta vs tors. theta energy: 20.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2655.693907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.693907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.693907 (E_RNA) where: Base-Base interactions energy: -1781.660 where: short stacking energy: -740.781 Base-Backbone interact. energy: -4.041 local terms energy: -869.992368 where: bonds (distance) C4'-P energy: -174.398 bonds (distance) P-C4' energy: -165.296 flat angles C4'-P-C4' energy: -181.391 flat angles P-C4'-P energy: -131.568 tors. eta vs tors. theta energy: -217.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2605.780010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.780010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.780010 (E_RNA) where: Base-Base interactions energy: -1795.138 where: short stacking energy: -689.527 Base-Backbone interact. energy: -3.653 local terms energy: -806.988607 where: bonds (distance) C4'-P energy: -154.032 bonds (distance) P-C4' energy: -161.133 flat angles C4'-P-C4' energy: -171.129 flat angles P-C4'-P energy: -118.228 tors. eta vs tors. theta energy: -202.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2344.113746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.113746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.113746 (E_RNA) where: Base-Base interactions energy: -1591.305 where: short stacking energy: -686.801 Base-Backbone interact. energy: -0.088 local terms energy: -752.719864 where: bonds (distance) C4'-P energy: -127.780 bonds (distance) P-C4' energy: -158.796 flat angles C4'-P-C4' energy: -172.587 flat angles P-C4'-P energy: -107.161 tors. eta vs tors. theta energy: -186.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2349.087667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.087667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.087667 (E_RNA) where: Base-Base interactions energy: -1561.151 where: short stacking energy: -684.281 Base-Backbone interact. energy: -1.666 local terms energy: -786.270450 where: bonds (distance) C4'-P energy: -126.831 bonds (distance) P-C4' energy: -166.585 flat angles C4'-P-C4' energy: -181.379 flat angles P-C4'-P energy: -105.853 tors. eta vs tors. theta energy: -205.623 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: 10 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2106.859684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.859684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.859684 (E_RNA) where: Base-Base interactions energy: -1362.328 where: short stacking energy: -631.574 Base-Backbone interact. energy: -2.760 local terms energy: -741.771528 where: bonds (distance) C4'-P energy: -149.905 bonds (distance) P-C4' energy: -157.809 flat angles C4'-P-C4' energy: -165.370 flat angles P-C4'-P energy: -90.586 tors. eta vs tors. theta energy: -178.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1817.875970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.875970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.875970 (E_RNA) where: Base-Base interactions energy: -1154.711 where: short stacking energy: -530.133 Base-Backbone interact. energy: -0.033 local terms energy: -663.132665 where: bonds (distance) C4'-P energy: -129.172 bonds (distance) P-C4' energy: -149.074 flat angles C4'-P-C4' energy: -151.369 flat angles P-C4'-P energy: -100.490 tors. eta vs tors. theta energy: -133.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1708.730495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.730495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.730495 (E_RNA) where: Base-Base interactions energy: -1074.774 where: short stacking energy: -457.677 Base-Backbone interact. energy: -1.897 local terms energy: -632.059188 where: bonds (distance) C4'-P energy: -130.346 bonds (distance) P-C4' energy: -163.329 flat angles C4'-P-C4' energy: -156.535 flat angles P-C4'-P energy: -82.296 tors. eta vs tors. theta energy: -99.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1071.414266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.414266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.414266 (E_RNA) where: Base-Base interactions energy: -543.112 where: short stacking energy: -308.670 Base-Backbone interact. energy: -3.451 local terms energy: -524.850779 where: bonds (distance) C4'-P energy: -115.909 bonds (distance) P-C4' energy: -153.761 flat angles C4'-P-C4' energy: -142.853 flat angles P-C4'-P energy: -87.561 tors. eta vs tors. theta energy: -24.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1007.883519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.883519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.883519 (E_RNA) where: Base-Base interactions energy: -509.568 where: short stacking energy: -303.232 Base-Backbone interact. energy: -4.143 local terms energy: -494.172699 where: bonds (distance) C4'-P energy: -128.949 bonds (distance) P-C4' energy: -151.627 flat angles C4'-P-C4' energy: -119.248 flat angles P-C4'-P energy: -75.608 tors. eta vs tors. theta energy: -18.740 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: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -736.860785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.860785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.860785 (E_RNA) where: Base-Base interactions energy: -294.140 where: short stacking energy: -184.641 Base-Backbone interact. energy: 1.648 local terms energy: -444.368894 where: bonds (distance) C4'-P energy: -129.141 bonds (distance) P-C4' energy: -142.836 flat angles C4'-P-C4' energy: -123.674 flat angles P-C4'-P energy: -70.320 tors. eta vs tors. theta energy: 21.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2668.151410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.151410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.151410 (E_RNA) where: Base-Base interactions energy: -1805.657 where: short stacking energy: -776.839 Base-Backbone interact. energy: -2.490 local terms energy: -860.004699 where: bonds (distance) C4'-P energy: -156.756 bonds (distance) P-C4' energy: -170.810 flat angles C4'-P-C4' energy: -197.977 flat angles P-C4'-P energy: -116.364 tors. eta vs tors. theta energy: -218.098 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: 2, replica: 8 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2618.116773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.116773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.116773 (E_RNA) where: Base-Base interactions energy: -1795.079 where: short stacking energy: -704.511 Base-Backbone interact. energy: -0.923 local terms energy: -822.115025 where: bonds (distance) C4'-P energy: -156.326 bonds (distance) P-C4' energy: -163.284 flat angles C4'-P-C4' energy: -181.360 flat angles P-C4'-P energy: -120.524 tors. eta vs tors. theta energy: -200.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2469.058532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.058532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.058532 (E_RNA) where: Base-Base interactions energy: -1674.683 where: short stacking energy: -722.701 Base-Backbone interact. energy: -7.055 local terms energy: -787.320601 where: bonds (distance) C4'-P energy: -131.024 bonds (distance) P-C4' energy: -157.513 flat angles C4'-P-C4' energy: -174.579 flat angles P-C4'-P energy: -100.073 tors. eta vs tors. theta energy: -224.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2273.915618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.915618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.915618 (E_RNA) where: Base-Base interactions energy: -1540.130 where: short stacking energy: -678.664 Base-Backbone interact. energy: -0.009 local terms energy: -733.775869 where: bonds (distance) C4'-P energy: -140.221 bonds (distance) P-C4' energy: -149.092 flat angles C4'-P-C4' energy: -158.760 flat angles P-C4'-P energy: -98.034 tors. eta vs tors. theta energy: -187.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2012.587303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.587303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.587303 (E_RNA) where: Base-Base interactions energy: -1307.119 where: short stacking energy: -599.657 Base-Backbone interact. energy: -0.326 local terms energy: -705.141742 where: bonds (distance) C4'-P energy: -145.458 bonds (distance) P-C4' energy: -135.569 flat angles C4'-P-C4' energy: -162.337 flat angles P-C4'-P energy: -102.235 tors. eta vs tors. theta energy: -159.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1806.895930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.895930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.895930 (E_RNA) where: Base-Base interactions energy: -1152.681 where: short stacking energy: -510.313 Base-Backbone interact. energy: 2.115 local terms energy: -656.329616 where: bonds (distance) C4'-P energy: -119.627 bonds (distance) P-C4' energy: -164.369 flat angles C4'-P-C4' energy: -147.204 flat angles P-C4'-P energy: -112.483 tors. eta vs tors. theta energy: -112.647 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: 2 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1741.204263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.204263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.204263 (E_RNA) where: Base-Base interactions energy: -1132.494 where: short stacking energy: -498.483 Base-Backbone interact. energy: 3.094 local terms energy: -611.804604 where: bonds (distance) C4'-P energy: -143.443 bonds (distance) P-C4' energy: -119.977 flat angles C4'-P-C4' energy: -148.945 flat angles P-C4'-P energy: -87.839 tors. eta vs tors. theta energy: -111.601 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: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1060.697935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.697935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.697935 (E_RNA) where: Base-Base interactions energy: -519.084 where: short stacking energy: -286.715 Base-Backbone interact. energy: 1.377 local terms energy: -542.991821 where: bonds (distance) C4'-P energy: -141.315 bonds (distance) P-C4' energy: -153.074 flat angles C4'-P-C4' energy: -147.111 flat angles P-C4'-P energy: -84.604 tors. eta vs tors. theta energy: -16.887 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: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1038.839986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.839986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.839986 (E_RNA) where: Base-Base interactions energy: -536.381 where: short stacking energy: -292.388 Base-Backbone interact. energy: -3.262 local terms energy: -499.196864 where: bonds (distance) C4'-P energy: -119.072 bonds (distance) P-C4' energy: -147.739 flat angles C4'-P-C4' energy: -147.172 flat angles P-C4'-P energy: -73.544 tors. eta vs tors. theta energy: -11.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -718.059051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.059051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.059051 (E_RNA) where: Base-Base interactions energy: -296.228 where: short stacking energy: -189.581 Base-Backbone interact. energy: 0.788 local terms energy: -422.618820 where: bonds (distance) C4'-P energy: -149.170 bonds (distance) P-C4' energy: -144.320 flat angles C4'-P-C4' energy: -98.702 flat angles P-C4'-P energy: -70.025 tors. eta vs tors. theta energy: 39.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2658.576269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.576269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.576269 (E_RNA) where: Base-Base interactions energy: -1805.105 where: short stacking energy: -761.529 Base-Backbone interact. energy: 0.179 local terms energy: -853.650162 where: bonds (distance) C4'-P energy: -157.502 bonds (distance) P-C4' energy: -160.513 flat angles C4'-P-C4' energy: -183.163 flat angles P-C4'-P energy: -136.176 tors. eta vs tors. theta energy: -216.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2580.898009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.898009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.898009 (E_RNA) where: Base-Base interactions energy: -1786.396 where: short stacking energy: -711.913 Base-Backbone interact. energy: 2.042 local terms energy: -796.544272 where: bonds (distance) C4'-P energy: -153.737 bonds (distance) P-C4' energy: -157.956 flat angles C4'-P-C4' energy: -173.681 flat angles P-C4'-P energy: -116.224 tors. eta vs tors. theta energy: -194.946 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: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2480.130577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.130577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.130577 (E_RNA) where: Base-Base interactions energy: -1656.419 where: short stacking energy: -735.808 Base-Backbone interact. energy: -2.296 local terms energy: -821.415907 where: bonds (distance) C4'-P energy: -167.260 bonds (distance) P-C4' energy: -168.639 flat angles C4'-P-C4' energy: -176.335 flat angles P-C4'-P energy: -106.779 tors. eta vs tors. theta energy: -202.402 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: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2239.908183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.908183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.908183 (E_RNA) where: Base-Base interactions energy: -1488.842 where: short stacking energy: -653.571 Base-Backbone interact. energy: -5.028 local terms energy: -746.037737 where: bonds (distance) C4'-P energy: -159.168 bonds (distance) P-C4' energy: -136.648 flat angles C4'-P-C4' energy: -165.044 flat angles P-C4'-P energy: -108.153 tors. eta vs tors. theta energy: -177.026 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: 10 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1999.494421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.494421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.494421 (E_RNA) where: Base-Base interactions energy: -1281.109 where: short stacking energy: -595.732 Base-Backbone interact. energy: -0.173 local terms energy: -718.212112 where: bonds (distance) C4'-P energy: -148.573 bonds (distance) P-C4' energy: -157.612 flat angles C4'-P-C4' energy: -155.819 flat angles P-C4'-P energy: -104.716 tors. eta vs tors. theta energy: -151.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1813.556817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.556817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.556817 (E_RNA) where: Base-Base interactions energy: -1165.845 where: short stacking energy: -523.481 Base-Backbone interact. energy: -4.692 local terms energy: -643.019501 where: bonds (distance) C4'-P energy: -152.529 bonds (distance) P-C4' energy: -127.502 flat angles C4'-P-C4' energy: -151.656 flat angles P-C4'-P energy: -95.839 tors. eta vs tors. theta energy: -115.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1687.285059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.285059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.285059 (E_RNA) where: Base-Base interactions energy: -1093.002 where: short stacking energy: -482.137 Base-Backbone interact. energy: -1.554 local terms energy: -592.729369 where: bonds (distance) C4'-P energy: -119.976 bonds (distance) P-C4' energy: -128.976 flat angles C4'-P-C4' energy: -146.990 flat angles P-C4'-P energy: -85.401 tors. eta vs tors. theta energy: -111.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1030.081718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.081718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.081718 (E_RNA) where: Base-Base interactions energy: -525.525 where: short stacking energy: -311.672 Base-Backbone interact. energy: -3.118 local terms energy: -501.439515 where: bonds (distance) C4'-P energy: -109.146 bonds (distance) P-C4' energy: -151.084 flat angles C4'-P-C4' energy: -121.719 flat angles P-C4'-P energy: -84.685 tors. eta vs tors. theta energy: -34.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -985.763413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.763413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.763413 (E_RNA) where: Base-Base interactions energy: -530.132 where: short stacking energy: -262.254 Base-Backbone interact. energy: 0.915 local terms energy: -456.547066 where: bonds (distance) C4'-P energy: -122.536 bonds (distance) P-C4' energy: -126.526 flat angles C4'-P-C4' energy: -122.938 flat angles P-C4'-P energy: -66.644 tors. eta vs tors. theta energy: -17.902 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: 6 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -784.166775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.166775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.166775 (E_RNA) where: Base-Base interactions energy: -389.041 where: short stacking energy: -236.261 Base-Backbone interact. energy: 0.550 local terms energy: -395.675304 where: bonds (distance) C4'-P energy: -110.743 bonds (distance) P-C4' energy: -145.930 flat angles C4'-P-C4' energy: -118.589 flat angles P-C4'-P energy: -51.776 tors. eta vs tors. theta energy: 31.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2667.121318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.121318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.121318 (E_RNA) where: Base-Base interactions energy: -1822.480 where: short stacking energy: -762.923 Base-Backbone interact. energy: -2.738 local terms energy: -841.903989 where: bonds (distance) C4'-P energy: -154.512 bonds (distance) P-C4' energy: -163.013 flat angles C4'-P-C4' energy: -178.994 flat angles P-C4'-P energy: -137.392 tors. eta vs tors. theta energy: -207.994 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: 8 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2598.169355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.169355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.169355 (E_RNA) where: Base-Base interactions energy: -1780.757 where: short stacking energy: -741.988 Base-Backbone interact. energy: 0.273 local terms energy: -817.685470 where: bonds (distance) C4'-P energy: -150.668 bonds (distance) P-C4' energy: -163.885 flat angles C4'-P-C4' energy: -184.292 flat angles P-C4'-P energy: -113.215 tors. eta vs tors. theta energy: -205.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2515.010604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.010604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.010604 (E_RNA) where: Base-Base interactions energy: -1699.880 where: short stacking energy: -745.071 Base-Backbone interact. energy: -5.711 local terms energy: -809.418999 where: bonds (distance) C4'-P energy: -153.582 bonds (distance) P-C4' energy: -156.650 flat angles C4'-P-C4' energy: -182.965 flat angles P-C4'-P energy: -106.341 tors. eta vs tors. theta energy: -209.881 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: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2203.265648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.265648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.265648 (E_RNA) where: Base-Base interactions energy: -1430.240 where: short stacking energy: -616.421 Base-Backbone interact. energy: -2.848 local terms energy: -770.177553 where: bonds (distance) C4'-P energy: -165.370 bonds (distance) P-C4' energy: -157.744 flat angles C4'-P-C4' energy: -173.111 flat angles P-C4'-P energy: -114.325 tors. eta vs tors. theta energy: -159.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1989.212422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.212422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.212422 (E_RNA) where: Base-Base interactions energy: -1292.431 where: short stacking energy: -603.516 Base-Backbone interact. energy: -4.624 local terms energy: -692.157797 where: bonds (distance) C4'-P energy: -131.237 bonds (distance) P-C4' energy: -150.222 flat angles C4'-P-C4' energy: -161.750 flat angles P-C4'-P energy: -102.341 tors. eta vs tors. theta energy: -146.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1852.570882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.570882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.570882 (E_RNA) where: Base-Base interactions energy: -1164.840 where: short stacking energy: -518.796 Base-Backbone interact. energy: -0.941 local terms energy: -686.789809 where: bonds (distance) C4'-P energy: -151.799 bonds (distance) P-C4' energy: -163.060 flat angles C4'-P-C4' energy: -159.320 flat angles P-C4'-P energy: -87.568 tors. eta vs tors. theta energy: -125.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1664.893913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.893913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.893913 (E_RNA) where: Base-Base interactions energy: -1035.272 where: short stacking energy: -484.275 Base-Backbone interact. energy: -2.159 local terms energy: -627.463220 where: bonds (distance) C4'-P energy: -144.885 bonds (distance) P-C4' energy: -163.160 flat angles C4'-P-C4' energy: -125.438 flat angles P-C4'-P energy: -83.240 tors. eta vs tors. theta energy: -110.741 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: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1003.668002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.668002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.668002 (E_RNA) where: Base-Base interactions energy: -491.519 where: short stacking energy: -287.857 Base-Backbone interact. energy: 2.894 local terms energy: -515.042833 where: bonds (distance) C4'-P energy: -149.652 bonds (distance) P-C4' energy: -146.899 flat angles C4'-P-C4' energy: -131.105 flat angles P-C4'-P energy: -68.932 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: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -993.165423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.165423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.165423 (E_RNA) where: Base-Base interactions energy: -507.976 where: short stacking energy: -274.703 Base-Backbone interact. energy: 2.423 local terms energy: -487.612836 where: bonds (distance) C4'-P energy: -141.602 bonds (distance) P-C4' energy: -148.068 flat angles C4'-P-C4' energy: -134.601 flat angles P-C4'-P energy: -59.359 tors. eta vs tors. theta energy: -3.983 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: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -790.901754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.901754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.901754 (E_RNA) where: Base-Base interactions energy: -380.191 where: short stacking energy: -197.225 Base-Backbone interact. energy: -0.202 local terms energy: -410.508498 where: bonds (distance) C4'-P energy: -124.450 bonds (distance) P-C4' energy: -144.757 flat angles C4'-P-C4' energy: -117.400 flat angles P-C4'-P energy: -56.467 tors. eta vs tors. theta energy: 32.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2663.009406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.009406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.009406 (E_RNA) where: Base-Base interactions energy: -1813.434 where: short stacking energy: -780.725 Base-Backbone interact. energy: 5.161 local terms energy: -854.736379 where: bonds (distance) C4'-P energy: -163.634 bonds (distance) P-C4' energy: -152.455 flat angles C4'-P-C4' energy: -195.578 flat angles P-C4'-P energy: -124.869 tors. eta vs tors. theta energy: -218.200 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: 2, replica: 8 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2626.032767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.032767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.032767 (E_RNA) where: Base-Base interactions energy: -1794.300 where: short stacking energy: -714.272 Base-Backbone interact. energy: -3.784 local terms energy: -827.948896 where: bonds (distance) C4'-P energy: -178.359 bonds (distance) P-C4' energy: -163.643 flat angles C4'-P-C4' energy: -173.345 flat angles P-C4'-P energy: -116.794 tors. eta vs tors. theta energy: -195.808 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: 7 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2542.110045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.110045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.110045 (E_RNA) where: Base-Base interactions energy: -1727.782 where: short stacking energy: -780.074 Base-Backbone interact. energy: 0.538 local terms energy: -814.866374 where: bonds (distance) C4'-P energy: -156.889 bonds (distance) P-C4' energy: -144.926 flat angles C4'-P-C4' energy: -180.003 flat angles P-C4'-P energy: -104.320 tors. eta vs tors. theta energy: -228.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2245.473939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.473939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.473939 (E_RNA) where: Base-Base interactions energy: -1487.839 where: short stacking energy: -673.911 Base-Backbone interact. energy: -2.047 local terms energy: -755.587724 where: bonds (distance) C4'-P energy: -159.351 bonds (distance) P-C4' energy: -138.432 flat angles C4'-P-C4' energy: -171.463 flat angles P-C4'-P energy: -98.924 tors. eta vs tors. theta energy: -187.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1980.520877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.520877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.520877 (E_RNA) where: Base-Base interactions energy: -1282.776 where: short stacking energy: -557.849 Base-Backbone interact. energy: -4.272 local terms energy: -693.473016 where: bonds (distance) C4'-P energy: -143.477 bonds (distance) P-C4' energy: -134.033 flat angles C4'-P-C4' energy: -155.587 flat angles P-C4'-P energy: -101.333 tors. eta vs tors. theta energy: -159.043 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: 1 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1823.200024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.200024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.200024 (E_RNA) where: Base-Base interactions energy: -1158.909 where: short stacking energy: -519.263 Base-Backbone interact. energy: 2.672 local terms energy: -666.962331 where: bonds (distance) C4'-P energy: -133.969 bonds (distance) P-C4' energy: -156.662 flat angles C4'-P-C4' energy: -165.038 flat angles P-C4'-P energy: -85.357 tors. eta vs tors. theta energy: -125.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1671.456449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.456449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.456449 (E_RNA) where: Base-Base interactions energy: -1038.686 where: short stacking energy: -465.474 Base-Backbone interact. energy: -0.835 local terms energy: -631.934988 where: bonds (distance) C4'-P energy: -130.750 bonds (distance) P-C4' energy: -151.685 flat angles C4'-P-C4' energy: -145.971 flat angles P-C4'-P energy: -97.287 tors. eta vs tors. theta energy: -106.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1148.451589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.451589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.451589 (E_RNA) where: Base-Base interactions energy: -619.942 where: short stacking energy: -312.656 Base-Backbone interact. energy: 1.168 local terms energy: -529.677230 where: bonds (distance) C4'-P energy: -136.739 bonds (distance) P-C4' energy: -133.450 flat angles C4'-P-C4' energy: -132.441 flat angles P-C4'-P energy: -80.932 tors. eta vs tors. theta energy: -46.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -983.597178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.597178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.597178 (E_RNA) where: Base-Base interactions energy: -513.593 where: short stacking energy: -278.163 Base-Backbone interact. energy: 3.703 local terms energy: -473.708075 where: bonds (distance) C4'-P energy: -144.296 bonds (distance) P-C4' energy: -139.230 flat angles C4'-P-C4' energy: -116.892 flat angles P-C4'-P energy: -51.978 tors. eta vs tors. theta energy: -21.312 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: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -809.646907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.646907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.646907 (E_RNA) where: Base-Base interactions energy: -370.377 where: short stacking energy: -217.575 Base-Backbone interact. energy: -1.209 local terms energy: -438.061193 where: bonds (distance) C4'-P energy: -134.208 bonds (distance) P-C4' energy: -137.861 flat angles C4'-P-C4' energy: -130.295 flat angles P-C4'-P energy: -42.193 tors. eta vs tors. theta energy: 6.496 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: 1, replica: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2708.865063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.865063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.865063 (E_RNA) where: Base-Base interactions energy: -1859.688 where: short stacking energy: -757.725 Base-Backbone interact. energy: -3.452 local terms energy: -845.725374 where: bonds (distance) C4'-P energy: -162.771 bonds (distance) P-C4' energy: -161.913 flat angles C4'-P-C4' energy: -172.667 flat angles P-C4'-P energy: -133.761 tors. eta vs tors. theta energy: -214.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2585.262411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.262411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.262411 (E_RNA) where: Base-Base interactions energy: -1767.661 where: short stacking energy: -774.817 Base-Backbone interact. energy: 5.123 local terms energy: -822.724257 where: bonds (distance) C4'-P energy: -152.071 bonds (distance) P-C4' energy: -163.169 flat angles C4'-P-C4' energy: -185.752 flat angles P-C4'-P energy: -115.551 tors. eta vs tors. theta energy: -206.181 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: 86 Temperature: 1.000000 Total energy: -2527.620734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.620734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.620734 (E_RNA) where: Base-Base interactions energy: -1712.866 where: short stacking energy: -778.460 Base-Backbone interact. energy: 0.236 local terms energy: -814.990425 where: bonds (distance) C4'-P energy: -144.053 bonds (distance) P-C4' energy: -145.237 flat angles C4'-P-C4' energy: -182.374 flat angles P-C4'-P energy: -117.991 tors. eta vs tors. theta energy: -225.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2204.157922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.157922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.157922 (E_RNA) where: Base-Base interactions energy: -1479.786 where: short stacking energy: -628.303 Base-Backbone interact. energy: -3.387 local terms energy: -720.984892 where: bonds (distance) C4'-P energy: -141.784 bonds (distance) P-C4' energy: -151.405 flat angles C4'-P-C4' energy: -184.274 flat angles P-C4'-P energy: -75.889 tors. eta vs tors. theta energy: -167.632 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: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1992.501484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.501484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.501484 (E_RNA) where: Base-Base interactions energy: -1285.961 where: short stacking energy: -601.642 Base-Backbone interact. energy: 0.018 local terms energy: -706.558679 where: bonds (distance) C4'-P energy: -135.999 bonds (distance) P-C4' energy: -153.193 flat angles C4'-P-C4' energy: -180.198 flat angles P-C4'-P energy: -98.147 tors. eta vs tors. theta energy: -139.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1799.678582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.678582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.678582 (E_RNA) where: Base-Base interactions energy: -1170.401 where: short stacking energy: -508.756 Base-Backbone interact. energy: -0.468 local terms energy: -628.809625 where: bonds (distance) C4'-P energy: -146.770 bonds (distance) P-C4' energy: -140.180 flat angles C4'-P-C4' energy: -152.983 flat angles P-C4'-P energy: -84.108 tors. eta vs tors. theta energy: -104.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1623.193526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.193526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.193526 (E_RNA) where: Base-Base interactions energy: -1031.451 where: short stacking energy: -455.540 Base-Backbone interact. energy: -1.798 local terms energy: -589.943792 where: bonds (distance) C4'-P energy: -131.114 bonds (distance) P-C4' energy: -130.995 flat angles C4'-P-C4' energy: -144.519 flat angles P-C4'-P energy: -96.300 tors. eta vs tors. theta energy: -87.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1172.353272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.353272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.353272 (E_RNA) where: Base-Base interactions energy: -641.582 where: short stacking energy: -347.247 Base-Backbone interact. energy: -2.229 local terms energy: -528.541836 where: bonds (distance) C4'-P energy: -136.532 bonds (distance) P-C4' energy: -142.535 flat angles C4'-P-C4' energy: -130.275 flat angles P-C4'-P energy: -86.032 tors. eta vs tors. theta energy: -33.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -938.019817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.019817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.019817 (E_RNA) where: Base-Base interactions energy: -512.051 where: short stacking energy: -273.272 Base-Backbone interact. energy: 6.998 local terms energy: -432.966242 where: bonds (distance) C4'-P energy: -147.263 bonds (distance) P-C4' energy: -134.376 flat angles C4'-P-C4' energy: -105.103 flat angles P-C4'-P energy: -46.751 tors. eta vs tors. theta energy: 0.526 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: 10, replica: 6 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -801.299871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.299871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.299871 (E_RNA) where: Base-Base interactions energy: -376.611 where: short stacking energy: -215.115 Base-Backbone interact. energy: -1.036 local terms energy: -423.652966 where: bonds (distance) C4'-P energy: -122.477 bonds (distance) P-C4' energy: -158.162 flat angles C4'-P-C4' energy: -101.057 flat angles P-C4'-P energy: -67.821 tors. eta vs tors. theta energy: 25.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2732.879477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.879477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.879477 (E_RNA) where: Base-Base interactions energy: -1866.805 where: short stacking energy: -748.217 Base-Backbone interact. energy: -4.854 local terms energy: -861.219928 where: bonds (distance) C4'-P energy: -162.080 bonds (distance) P-C4' energy: -177.869 flat angles C4'-P-C4' energy: -171.495 flat angles P-C4'-P energy: -135.679 tors. eta vs tors. theta energy: -214.096 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: 2, replica: 5 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2571.816613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.816613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.816613 (E_RNA) where: Base-Base interactions energy: -1773.509 where: short stacking energy: -767.211 Base-Backbone interact. energy: 4.593 local terms energy: -802.900452 where: bonds (distance) C4'-P energy: -139.168 bonds (distance) P-C4' energy: -147.283 flat angles C4'-P-C4' energy: -190.470 flat angles P-C4'-P energy: -119.007 tors. eta vs tors. theta energy: -206.973 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: 7 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2587.818486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.818486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.818486 (E_RNA) where: Base-Base interactions energy: -1738.588 where: short stacking energy: -756.815 Base-Backbone interact. energy: -1.993 local terms energy: -847.237849 where: bonds (distance) C4'-P energy: -158.973 bonds (distance) P-C4' energy: -151.960 flat angles C4'-P-C4' energy: -190.351 flat angles P-C4'-P energy: -115.988 tors. eta vs tors. theta energy: -229.965 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: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2258.187492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.187492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.187492 (E_RNA) where: Base-Base interactions energy: -1490.780 where: short stacking energy: -638.224 Base-Backbone interact. energy: -6.733 local terms energy: -760.674353 where: bonds (distance) C4'-P energy: -148.129 bonds (distance) P-C4' energy: -166.025 flat angles C4'-P-C4' energy: -170.574 flat angles P-C4'-P energy: -93.500 tors. eta vs tors. theta energy: -182.446 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: 10 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2040.844783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.844783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.844783 (E_RNA) where: Base-Base interactions energy: -1321.433 where: short stacking energy: -595.175 Base-Backbone interact. energy: -1.770 local terms energy: -717.641688 where: bonds (distance) C4'-P energy: -126.874 bonds (distance) P-C4' energy: -150.953 flat angles C4'-P-C4' energy: -162.798 flat angles P-C4'-P energy: -110.043 tors. eta vs tors. theta energy: -166.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1818.479815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.479815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.479815 (E_RNA) where: Base-Base interactions energy: -1134.929 where: short stacking energy: -499.938 Base-Backbone interact. energy: -4.032 local terms energy: -679.518774 where: bonds (distance) C4'-P energy: -143.285 bonds (distance) P-C4' energy: -159.516 flat angles C4'-P-C4' energy: -145.772 flat angles P-C4'-P energy: -108.942 tors. eta vs tors. theta energy: -122.003 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: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1666.687010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.687010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.687010 (E_RNA) where: Base-Base interactions energy: -1038.685 where: short stacking energy: -462.427 Base-Backbone interact. energy: -3.742 local terms energy: -624.260442 where: bonds (distance) C4'-P energy: -134.973 bonds (distance) P-C4' energy: -163.505 flat angles C4'-P-C4' energy: -126.379 flat angles P-C4'-P energy: -102.365 tors. eta vs tors. theta energy: -97.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1170.876076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.876076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.876076 (E_RNA) where: Base-Base interactions energy: -641.093 where: short stacking energy: -326.115 Base-Backbone interact. energy: 2.304 local terms energy: -532.087408 where: bonds (distance) C4'-P energy: -139.127 bonds (distance) P-C4' energy: -141.872 flat angles C4'-P-C4' energy: -137.097 flat angles P-C4'-P energy: -86.414 tors. eta vs tors. theta energy: -27.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -976.842022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.842022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.842022 (E_RNA) where: Base-Base interactions energy: -475.013 where: short stacking energy: -291.968 Base-Backbone interact. energy: 3.526 local terms energy: -505.355597 where: bonds (distance) C4'-P energy: -103.465 bonds (distance) P-C4' energy: -166.005 flat angles C4'-P-C4' energy: -132.477 flat angles P-C4'-P energy: -89.756 tors. eta vs tors. theta energy: -13.652 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: 6 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -806.818389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.818389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.818389 (E_RNA) where: Base-Base interactions energy: -358.049 where: short stacking energy: -218.087 Base-Backbone interact. energy: -0.962 local terms energy: -447.807131 where: bonds (distance) C4'-P energy: -134.197 bonds (distance) P-C4' energy: -150.197 flat angles C4'-P-C4' energy: -136.854 flat angles P-C4'-P energy: -43.663 tors. eta vs tors. theta energy: 17.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2712.884658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.884658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.884658 (E_RNA) where: Base-Base interactions energy: -1882.079 where: short stacking energy: -750.503 Base-Backbone interact. energy: -4.779 local terms energy: -826.026994 where: bonds (distance) C4'-P energy: -169.784 bonds (distance) P-C4' energy: -160.121 flat angles C4'-P-C4' energy: -175.589 flat angles P-C4'-P energy: -118.204 tors. eta vs tors. theta energy: -202.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2619.151445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.151445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.151445 (E_RNA) where: Base-Base interactions energy: -1758.983 where: short stacking energy: -774.045 Base-Backbone interact. energy: -1.420 local terms energy: -858.748602 where: bonds (distance) C4'-P energy: -147.011 bonds (distance) P-C4' energy: -182.258 flat angles C4'-P-C4' energy: -183.959 flat angles P-C4'-P energy: -128.561 tors. eta vs tors. theta energy: -216.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2541.454608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.454608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.454608 (E_RNA) where: Base-Base interactions energy: -1715.306 where: short stacking energy: -744.431 Base-Backbone interact. energy: -4.285 local terms energy: -821.863132 where: bonds (distance) C4'-P energy: -144.895 bonds (distance) P-C4' energy: -158.634 flat angles C4'-P-C4' energy: -180.296 flat angles P-C4'-P energy: -117.746 tors. eta vs tors. theta energy: -220.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2285.931035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.931035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.931035 (E_RNA) where: Base-Base interactions energy: -1532.299 where: short stacking energy: -648.239 Base-Backbone interact. energy: -7.489 local terms energy: -746.143384 where: bonds (distance) C4'-P energy: -147.922 bonds (distance) P-C4' energy: -160.411 flat angles C4'-P-C4' energy: -169.612 flat angles P-C4'-P energy: -100.755 tors. eta vs tors. theta energy: -167.443 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: 5, replica: 10 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2046.678610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.678610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.678610 (E_RNA) where: Base-Base interactions energy: -1306.157 where: short stacking energy: -611.899 Base-Backbone interact. energy: 0.108 local terms energy: -740.629546 where: bonds (distance) C4'-P energy: -162.103 bonds (distance) P-C4' energy: -165.056 flat angles C4'-P-C4' energy: -159.424 flat angles P-C4'-P energy: -100.653 tors. eta vs tors. theta energy: -153.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1823.088706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.088706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.088706 (E_RNA) where: Base-Base interactions energy: -1156.962 where: short stacking energy: -536.115 Base-Backbone interact. energy: -2.779 local terms energy: -663.347446 where: bonds (distance) C4'-P energy: -142.003 bonds (distance) P-C4' energy: -145.662 flat angles C4'-P-C4' energy: -148.788 flat angles P-C4'-P energy: -107.798 tors. eta vs tors. theta energy: -119.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1753.075173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.075173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.075173 (E_RNA) where: Base-Base interactions energy: -1111.302 where: short stacking energy: -525.931 Base-Backbone interact. energy: 2.239 local terms energy: -644.012638 where: bonds (distance) C4'-P energy: -132.990 bonds (distance) P-C4' energy: -133.313 flat angles C4'-P-C4' energy: -156.733 flat angles P-C4'-P energy: -88.918 tors. eta vs tors. theta energy: -132.059 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: 88 Temperature: 1.250000 Total energy: -1126.296602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.296602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.296602 (E_RNA) where: Base-Base interactions energy: -617.246 where: short stacking energy: -308.773 Base-Backbone interact. energy: -2.701 local terms energy: -506.349521 where: bonds (distance) C4'-P energy: -129.678 bonds (distance) P-C4' energy: -147.457 flat angles C4'-P-C4' energy: -125.236 flat angles P-C4'-P energy: -73.818 tors. eta vs tors. theta energy: -30.161 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: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -926.958103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.958103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.958103 (E_RNA) where: Base-Base interactions energy: -480.928 where: short stacking energy: -269.405 Base-Backbone interact. energy: 5.653 local terms energy: -451.683813 where: bonds (distance) C4'-P energy: -138.517 bonds (distance) P-C4' energy: -142.032 flat angles C4'-P-C4' energy: -100.801 flat angles P-C4'-P energy: -77.486 tors. eta vs tors. theta energy: 7.152 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: 6 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -742.816969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.816969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.816969 (E_RNA) where: Base-Base interactions energy: -318.634 where: short stacking energy: -219.686 Base-Backbone interact. energy: -2.803 local terms energy: -421.379502 where: bonds (distance) C4'-P energy: -116.924 bonds (distance) P-C4' energy: -137.491 flat angles C4'-P-C4' energy: -109.980 flat angles P-C4'-P energy: -68.158 tors. eta vs tors. theta energy: 11.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2735.674344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.674344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.674344 (E_RNA) where: Base-Base interactions energy: -1877.576 where: short stacking energy: -771.697 Base-Backbone interact. energy: -8.075 local terms energy: -850.024011 where: bonds (distance) C4'-P energy: -157.425 bonds (distance) P-C4' energy: -176.407 flat angles C4'-P-C4' energy: -173.292 flat angles P-C4'-P energy: -131.971 tors. eta vs tors. theta energy: -210.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2607.834392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.834392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.834392 (E_RNA) where: Base-Base interactions energy: -1776.004 where: short stacking energy: -768.595 Base-Backbone interact. energy: -2.464 local terms energy: -829.367085 where: bonds (distance) C4'-P energy: -154.036 bonds (distance) P-C4' energy: -163.984 flat angles C4'-P-C4' energy: -169.608 flat angles P-C4'-P energy: -112.674 tors. eta vs tors. theta energy: -229.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2518.433195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.433195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.433195 (E_RNA) where: Base-Base interactions energy: -1692.296 where: short stacking energy: -734.984 Base-Backbone interact. energy: -1.209 local terms energy: -824.928674 where: bonds (distance) C4'-P energy: -166.119 bonds (distance) P-C4' energy: -169.612 flat angles C4'-P-C4' energy: -177.800 flat angles P-C4'-P energy: -101.893 tors. eta vs tors. theta energy: -209.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2276.132363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.132363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.132363 (E_RNA) where: Base-Base interactions energy: -1490.957 where: short stacking energy: -654.318 Base-Backbone interact. energy: -3.517 local terms energy: -781.658332 where: bonds (distance) C4'-P energy: -154.876 bonds (distance) P-C4' energy: -156.848 flat angles C4'-P-C4' energy: -175.702 flat angles P-C4'-P energy: -110.349 tors. eta vs tors. theta energy: -183.882 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: 10 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2009.602471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.602471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.602471 (E_RNA) where: Base-Base interactions energy: -1304.860 where: short stacking energy: -599.966 Base-Backbone interact. energy: 0.789 local terms energy: -705.531846 where: bonds (distance) C4'-P energy: -143.353 bonds (distance) P-C4' energy: -153.017 flat angles C4'-P-C4' energy: -154.246 flat angles P-C4'-P energy: -106.485 tors. eta vs tors. theta energy: -148.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1801.289526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.289526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.289526 (E_RNA) where: Base-Base interactions energy: -1149.770 where: short stacking energy: -522.016 Base-Backbone interact. energy: -0.601 local terms energy: -650.919194 where: bonds (distance) C4'-P energy: -134.578 bonds (distance) P-C4' energy: -144.889 flat angles C4'-P-C4' energy: -145.369 flat angles P-C4'-P energy: -108.750 tors. eta vs tors. theta energy: -117.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1660.789502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.789502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.789502 (E_RNA) where: Base-Base interactions energy: -1062.300 where: short stacking energy: -476.792 Base-Backbone interact. energy: 2.519 local terms energy: -601.008560 where: bonds (distance) C4'-P energy: -123.620 bonds (distance) P-C4' energy: -137.425 flat angles C4'-P-C4' energy: -158.833 flat angles P-C4'-P energy: -76.746 tors. eta vs tors. theta energy: -104.384 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: 8, replica: 4 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1129.596085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.596085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.596085 (E_RNA) where: Base-Base interactions energy: -622.903 where: short stacking energy: -307.419 Base-Backbone interact. energy: -0.971 local terms energy: -505.721904 where: bonds (distance) C4'-P energy: -132.022 bonds (distance) P-C4' energy: -147.203 flat angles C4'-P-C4' energy: -129.490 flat angles P-C4'-P energy: -67.753 tors. eta vs tors. theta energy: -29.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -963.029768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.029768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.029768 (E_RNA) where: Base-Base interactions energy: -517.939 where: short stacking energy: -291.646 Base-Backbone interact. energy: 3.277 local terms energy: -448.368322 where: bonds (distance) C4'-P energy: -125.373 bonds (distance) P-C4' energy: -121.205 flat angles C4'-P-C4' energy: -125.083 flat angles P-C4'-P energy: -72.366 tors. eta vs tors. theta energy: -4.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -751.720635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.720635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.720635 (E_RNA) where: Base-Base interactions energy: -332.402 where: short stacking energy: -239.221 Base-Backbone interact. energy: 5.593 local terms energy: -424.911624 where: bonds (distance) C4'-P energy: -130.857 bonds (distance) P-C4' energy: -142.240 flat angles C4'-P-C4' energy: -113.832 flat angles P-C4'-P energy: -50.320 tors. eta vs tors. theta energy: 12.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2677.286792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.286792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.286792 (E_RNA) where: Base-Base interactions energy: -1839.647 where: short stacking energy: -759.744 Base-Backbone interact. energy: 2.269 local terms energy: -839.908512 where: bonds (distance) C4'-P energy: -168.634 bonds (distance) P-C4' energy: -159.193 flat angles C4'-P-C4' energy: -182.675 flat angles P-C4'-P energy: -124.072 tors. eta vs tors. theta energy: -205.335 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: 5 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2542.489641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.489641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.489641 (E_RNA) where: Base-Base interactions energy: -1707.752 where: short stacking energy: -753.498 Base-Backbone interact. energy: -3.833 local terms energy: -830.904602 where: bonds (distance) C4'-P energy: -149.328 bonds (distance) P-C4' energy: -170.915 flat angles C4'-P-C4' energy: -167.853 flat angles P-C4'-P energy: -123.446 tors. eta vs tors. theta energy: -219.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2518.054727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.054727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.054727 (E_RNA) where: Base-Base interactions energy: -1694.085 where: short stacking energy: -746.515 Base-Backbone interact. energy: -1.057 local terms energy: -822.912616 where: bonds (distance) C4'-P energy: -153.312 bonds (distance) P-C4' energy: -152.694 flat angles C4'-P-C4' energy: -194.129 flat angles P-C4'-P energy: -110.198 tors. eta vs tors. theta energy: -212.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2239.299680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.299680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.299680 (E_RNA) where: Base-Base interactions energy: -1502.278 where: short stacking energy: -643.104 Base-Backbone interact. energy: -0.900 local terms energy: -736.121795 where: bonds (distance) C4'-P energy: -139.376 bonds (distance) P-C4' energy: -159.660 flat angles C4'-P-C4' energy: -179.217 flat angles P-C4'-P energy: -94.699 tors. eta vs tors. theta energy: -163.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2007.347943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.347943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.347943 (E_RNA) where: Base-Base interactions energy: -1287.378 where: short stacking energy: -599.501 Base-Backbone interact. energy: -2.368 local terms energy: -717.602320 where: bonds (distance) C4'-P energy: -130.188 bonds (distance) P-C4' energy: -155.880 flat angles C4'-P-C4' energy: -164.703 flat angles P-C4'-P energy: -108.119 tors. eta vs tors. theta energy: -158.712 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: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1750.080708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.080708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.080708 (E_RNA) where: Base-Base interactions energy: -1124.497 where: short stacking energy: -527.186 Base-Backbone interact. energy: -1.943 local terms energy: -623.640448 where: bonds (distance) C4'-P energy: -124.928 bonds (distance) P-C4' energy: -138.353 flat angles C4'-P-C4' energy: -160.589 flat angles P-C4'-P energy: -75.402 tors. eta vs tors. theta energy: -124.368 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: 2 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1611.617195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.617195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.617195 (E_RNA) where: Base-Base interactions energy: -1007.016 where: short stacking energy: -470.098 Base-Backbone interact. energy: 0.662 local terms energy: -605.263360 where: bonds (distance) C4'-P energy: -139.654 bonds (distance) P-C4' energy: -149.227 flat angles C4'-P-C4' energy: -129.120 flat angles P-C4'-P energy: -99.022 tors. eta vs tors. theta energy: -88.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1249.680840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.680840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.680840 (E_RNA) where: Base-Base interactions energy: -717.494 where: short stacking energy: -371.101 Base-Backbone interact. energy: 1.823 local terms energy: -534.009092 where: bonds (distance) C4'-P energy: -137.653 bonds (distance) P-C4' energy: -128.208 flat angles C4'-P-C4' energy: -136.340 flat angles P-C4'-P energy: -75.627 tors. eta vs tors. theta energy: -56.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -970.059999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.059999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.059999 (E_RNA) where: Base-Base interactions energy: -482.378 where: short stacking energy: -267.936 Base-Backbone interact. energy: -2.179 local terms energy: -485.503340 where: bonds (distance) C4'-P energy: -128.012 bonds (distance) P-C4' energy: -151.520 flat angles C4'-P-C4' energy: -110.096 flat angles P-C4'-P energy: -78.893 tors. eta vs tors. theta energy: -16.983 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: 6 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -790.513721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.513721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.513721 (E_RNA) where: Base-Base interactions energy: -386.562 where: short stacking energy: -224.756 Base-Backbone interact. energy: -2.295 local terms energy: -401.656833 where: bonds (distance) C4'-P energy: -111.489 bonds (distance) P-C4' energy: -131.348 flat angles C4'-P-C4' energy: -124.246 flat angles P-C4'-P energy: -51.153 tors. eta vs tors. theta energy: 16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2720.525784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.525784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.525784 (E_RNA) where: Base-Base interactions energy: -1845.332 where: short stacking energy: -753.487 Base-Backbone interact. energy: -2.537 local terms energy: -872.656880 where: bonds (distance) C4'-P energy: -174.975 bonds (distance) P-C4' energy: -175.478 flat angles C4'-P-C4' energy: -184.734 flat angles P-C4'-P energy: -114.090 tors. eta vs tors. theta energy: -223.380 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: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2594.809272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.809272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.809272 (E_RNA) where: Base-Base interactions energy: -1772.202 where: short stacking energy: -779.744 Base-Backbone interact. energy: 2.278 local terms energy: -824.885607 where: bonds (distance) C4'-P energy: -163.947 bonds (distance) P-C4' energy: -156.023 flat angles C4'-P-C4' energy: -175.888 flat angles P-C4'-P energy: -114.589 tors. eta vs tors. theta energy: -214.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2446.220699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.220699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.220699 (E_RNA) where: Base-Base interactions energy: -1649.385 where: short stacking energy: -742.710 Base-Backbone interact. energy: -5.010 local terms energy: -791.825074 where: bonds (distance) C4'-P energy: -126.415 bonds (distance) P-C4' energy: -160.026 flat angles C4'-P-C4' energy: -191.799 flat angles P-C4'-P energy: -114.990 tors. eta vs tors. theta energy: -198.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2211.790543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.790543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.790543 (E_RNA) where: Base-Base interactions energy: -1463.493 where: short stacking energy: -622.842 Base-Backbone interact. energy: -4.857 local terms energy: -743.441157 where: bonds (distance) C4'-P energy: -143.053 bonds (distance) P-C4' energy: -156.332 flat angles C4'-P-C4' energy: -160.860 flat angles P-C4'-P energy: -120.768 tors. eta vs tors. theta energy: -162.429 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: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2081.281231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.281231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.281231 (E_RNA) where: Base-Base interactions energy: -1366.685 where: short stacking energy: -654.959 Base-Backbone interact. energy: -0.608 local terms energy: -713.988613 where: bonds (distance) C4'-P energy: -160.230 bonds (distance) P-C4' energy: -131.510 flat angles C4'-P-C4' energy: -156.314 flat angles P-C4'-P energy: -90.971 tors. eta vs tors. theta energy: -174.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1751.498269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.498269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.498269 (E_RNA) where: Base-Base interactions energy: -1107.703 where: short stacking energy: -507.808 Base-Backbone interact. energy: -1.207 local terms energy: -642.589141 where: bonds (distance) C4'-P energy: -136.885 bonds (distance) P-C4' energy: -145.463 flat angles C4'-P-C4' energy: -147.315 flat angles P-C4'-P energy: -95.440 tors. eta vs tors. theta energy: -117.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1616.419663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.419663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.419663 (E_RNA) where: Base-Base interactions energy: -996.284 where: short stacking energy: -474.196 Base-Backbone interact. energy: 0.964 local terms energy: -621.099837 where: bonds (distance) C4'-P energy: -136.976 bonds (distance) P-C4' energy: -134.317 flat angles C4'-P-C4' energy: -143.755 flat angles P-C4'-P energy: -94.514 tors. eta vs tors. theta energy: -111.538 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: 4 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1319.693022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.693022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.693022 (E_RNA) where: Base-Base interactions energy: -755.935 where: short stacking energy: -357.813 Base-Backbone interact. energy: 2.712 local terms energy: -566.470601 where: bonds (distance) C4'-P energy: -122.133 bonds (distance) P-C4' energy: -150.199 flat angles C4'-P-C4' energy: -140.185 flat angles P-C4'-P energy: -98.562 tors. eta vs tors. theta energy: -55.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1015.837249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.837249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.837249 (E_RNA) where: Base-Base interactions energy: -549.508 where: short stacking energy: -307.592 Base-Backbone interact. energy: -1.215 local terms energy: -465.114646 where: bonds (distance) C4'-P energy: -126.747 bonds (distance) P-C4' energy: -139.252 flat angles C4'-P-C4' energy: -120.858 flat angles P-C4'-P energy: -55.034 tors. eta vs tors. theta energy: -23.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -809.128476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.128476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.128476 (E_RNA) where: Base-Base interactions energy: -370.039 where: short stacking energy: -184.898 Base-Backbone interact. energy: 6.513 local terms energy: -445.602390 where: bonds (distance) C4'-P energy: -139.926 bonds (distance) P-C4' energy: -142.882 flat angles C4'-P-C4' energy: -105.644 flat angles P-C4'-P energy: -78.990 tors. eta vs tors. theta energy: 21.840 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: 1, replica: 8 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2707.120877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.120877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.120877 (E_RNA) where: Base-Base interactions energy: -1879.686 where: short stacking energy: -746.857 Base-Backbone interact. energy: -4.076 local terms energy: -823.358432 where: bonds (distance) C4'-P energy: -157.343 bonds (distance) P-C4' energy: -165.205 flat angles C4'-P-C4' energy: -172.708 flat angles P-C4'-P energy: -115.039 tors. eta vs tors. theta energy: -213.063 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: 2, replica: 7 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2632.836017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.836017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.836017 (E_RNA) where: Base-Base interactions energy: -1788.619 where: short stacking energy: -763.292 Base-Backbone interact. energy: -3.190 local terms energy: -841.027731 where: bonds (distance) C4'-P energy: -147.922 bonds (distance) P-C4' energy: -162.699 flat angles C4'-P-C4' energy: -191.284 flat angles P-C4'-P energy: -116.282 tors. eta vs tors. theta energy: -222.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2466.180139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.180139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.180139 (E_RNA) where: Base-Base interactions energy: -1651.980 where: short stacking energy: -710.845 Base-Backbone interact. energy: -2.057 local terms energy: -812.143681 where: bonds (distance) C4'-P energy: -166.810 bonds (distance) P-C4' energy: -157.167 flat angles C4'-P-C4' energy: -160.511 flat angles P-C4'-P energy: -122.647 tors. eta vs tors. theta energy: -205.009 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: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2256.047664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.047664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.047664 (E_RNA) where: Base-Base interactions energy: -1527.120 where: short stacking energy: -667.226 Base-Backbone interact. energy: 2.237 local terms energy: -731.164625 where: bonds (distance) C4'-P energy: -146.868 bonds (distance) P-C4' energy: -148.550 flat angles C4'-P-C4' energy: -149.214 flat angles P-C4'-P energy: -112.312 tors. eta vs tors. theta energy: -174.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2159.905735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.905735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.905735 (E_RNA) where: Base-Base interactions energy: -1425.390 where: short stacking energy: -655.449 Base-Backbone interact. energy: 0.516 local terms energy: -735.031690 where: bonds (distance) C4'-P energy: -133.487 bonds (distance) P-C4' energy: -154.125 flat angles C4'-P-C4' energy: -167.493 flat angles P-C4'-P energy: -90.756 tors. eta vs tors. theta energy: -189.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1845.691509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.691509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.691509 (E_RNA) where: Base-Base interactions energy: -1178.581 where: short stacking energy: -536.148 Base-Backbone interact. energy: -1.987 local terms energy: -665.123911 where: bonds (distance) C4'-P energy: -136.560 bonds (distance) P-C4' energy: -148.346 flat angles C4'-P-C4' energy: -152.560 flat angles P-C4'-P energy: -94.988 tors. eta vs tors. theta energy: -132.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1673.246059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.246059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.246059 (E_RNA) where: Base-Base interactions energy: -1040.101 where: short stacking energy: -497.267 Base-Backbone interact. energy: -1.006 local terms energy: -632.139375 where: bonds (distance) C4'-P energy: -131.445 bonds (distance) P-C4' energy: -147.635 flat angles C4'-P-C4' energy: -160.890 flat angles P-C4'-P energy: -76.342 tors. eta vs tors. theta energy: -115.827 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: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1333.378650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.378650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.378650 (E_RNA) where: Base-Base interactions energy: -783.806 where: short stacking energy: -369.921 Base-Backbone interact. energy: 0.496 local terms energy: -550.068623 where: bonds (distance) C4'-P energy: -128.751 bonds (distance) P-C4' energy: -155.603 flat angles C4'-P-C4' energy: -131.285 flat angles P-C4'-P energy: -76.244 tors. eta vs tors. theta energy: -58.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -957.712748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.712748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.712748 (E_RNA) where: Base-Base interactions energy: -441.941 where: short stacking energy: -244.545 Base-Backbone interact. energy: -1.955 local terms energy: -513.816806 where: bonds (distance) C4'-P energy: -131.503 bonds (distance) P-C4' energy: -147.421 flat angles C4'-P-C4' energy: -136.695 flat angles P-C4'-P energy: -86.721 tors. eta vs tors. theta energy: -11.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -794.584951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.584951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.584951 (E_RNA) where: Base-Base interactions energy: -382.526 where: short stacking energy: -229.335 Base-Backbone interact. energy: 5.242 local terms energy: -417.300392 where: bonds (distance) C4'-P energy: -131.554 bonds (distance) P-C4' energy: -125.491 flat angles C4'-P-C4' energy: -116.489 flat angles P-C4'-P energy: -52.034 tors. eta vs tors. theta energy: 8.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2698.533939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.533939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.533939 (E_RNA) where: Base-Base interactions energy: -1879.670 where: short stacking energy: -725.034 Base-Backbone interact. energy: -4.443 local terms energy: -814.421202 where: bonds (distance) C4'-P energy: -139.328 bonds (distance) P-C4' energy: -170.354 flat angles C4'-P-C4' energy: -182.066 flat angles P-C4'-P energy: -126.393 tors. eta vs tors. theta energy: -196.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2597.948072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.948072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.948072 (E_RNA) where: Base-Base interactions energy: -1764.428 where: short stacking energy: -764.163 Base-Backbone interact. energy: -4.349 local terms energy: -829.170606 where: bonds (distance) C4'-P energy: -142.436 bonds (distance) P-C4' energy: -154.341 flat angles C4'-P-C4' energy: -185.227 flat angles P-C4'-P energy: -121.369 tors. eta vs tors. theta energy: -225.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2414.028416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.028416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.028416 (E_RNA) where: Base-Base interactions energy: -1608.069 where: short stacking energy: -696.971 Base-Backbone interact. energy: -0.089 local terms energy: -805.869916 where: bonds (distance) C4'-P energy: -170.174 bonds (distance) P-C4' energy: -150.985 flat angles C4'-P-C4' energy: -182.664 flat angles P-C4'-P energy: -107.441 tors. eta vs tors. theta energy: -194.605 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: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2232.757670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.757670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.757670 (E_RNA) where: Base-Base interactions energy: -1488.092 where: short stacking energy: -659.437 Base-Backbone interact. energy: -4.309 local terms energy: -740.356980 where: bonds (distance) C4'-P energy: -153.995 bonds (distance) P-C4' energy: -154.386 flat angles C4'-P-C4' energy: -155.465 flat angles P-C4'-P energy: -113.147 tors. eta vs tors. theta energy: -163.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2182.823238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.823238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.823238 (E_RNA) where: Base-Base interactions energy: -1456.529 where: short stacking energy: -634.908 Base-Backbone interact. energy: 0.082 local terms energy: -726.376007 where: bonds (distance) C4'-P energy: -150.924 bonds (distance) P-C4' energy: -155.756 flat angles C4'-P-C4' energy: -155.097 flat angles P-C4'-P energy: -83.942 tors. eta vs tors. theta energy: -180.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1844.563449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.563449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.563449 (E_RNA) where: Base-Base interactions energy: -1178.525 where: short stacking energy: -541.042 Base-Backbone interact. energy: -1.360 local terms energy: -664.678651 where: bonds (distance) C4'-P energy: -144.744 bonds (distance) P-C4' energy: -133.375 flat angles C4'-P-C4' energy: -148.862 flat angles P-C4'-P energy: -92.871 tors. eta vs tors. theta energy: -144.827 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: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1681.937611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.937611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.937611 (E_RNA) where: Base-Base interactions energy: -1021.975 where: short stacking energy: -518.318 Base-Backbone interact. energy: -0.626 local terms energy: -659.335987 where: bonds (distance) C4'-P energy: -139.748 bonds (distance) P-C4' energy: -140.779 flat angles C4'-P-C4' energy: -159.414 flat angles P-C4'-P energy: -95.272 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: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1347.574742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.574742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.574742 (E_RNA) where: Base-Base interactions energy: -825.710 where: short stacking energy: -398.772 Base-Backbone interact. energy: 3.654 local terms energy: -525.519340 where: bonds (distance) C4'-P energy: -131.243 bonds (distance) P-C4' energy: -116.970 flat angles C4'-P-C4' energy: -130.670 flat angles P-C4'-P energy: -77.185 tors. eta vs tors. theta energy: -69.451 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: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1023.573578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.573578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.573578 (E_RNA) where: Base-Base interactions energy: -545.521 where: short stacking energy: -260.968 Base-Backbone interact. energy: -2.683 local terms energy: -475.368944 where: bonds (distance) C4'-P energy: -142.234 bonds (distance) P-C4' energy: -115.543 flat angles C4'-P-C4' energy: -137.715 flat angles P-C4'-P energy: -76.376 tors. eta vs tors. theta energy: -3.501 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: 6 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -720.475804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.475804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.475804 (E_RNA) where: Base-Base interactions energy: -302.435 where: short stacking energy: -201.126 Base-Backbone interact. energy: -5.083 local terms energy: -412.957167 where: bonds (distance) C4'-P energy: -130.530 bonds (distance) P-C4' energy: -109.145 flat angles C4'-P-C4' energy: -121.646 flat angles P-C4'-P energy: -80.404 tors. eta vs tors. theta energy: 28.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2718.041451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.041451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.041451 (E_RNA) where: Base-Base interactions energy: -1864.099 where: short stacking energy: -730.465 Base-Backbone interact. energy: -0.806 local terms energy: -853.136620 where: bonds (distance) C4'-P energy: -164.985 bonds (distance) P-C4' energy: -168.616 flat angles C4'-P-C4' energy: -184.439 flat angles P-C4'-P energy: -127.396 tors. eta vs tors. theta energy: -207.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2637.103948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.103948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.103948 (E_RNA) where: Base-Base interactions energy: -1781.088 where: short stacking energy: -760.778 Base-Backbone interact. energy: -2.116 local terms energy: -853.899934 where: bonds (distance) C4'-P energy: -164.153 bonds (distance) P-C4' energy: -161.050 flat angles C4'-P-C4' energy: -184.370 flat angles P-C4'-P energy: -113.416 tors. eta vs tors. theta energy: -230.911 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: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2407.577080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.577080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.577080 (E_RNA) where: Base-Base interactions energy: -1618.853 where: short stacking energy: -710.915 Base-Backbone interact. energy: 1.441 local terms energy: -790.165252 where: bonds (distance) C4'-P energy: -157.964 bonds (distance) P-C4' energy: -142.724 flat angles C4'-P-C4' energy: -180.423 flat angles P-C4'-P energy: -109.091 tors. eta vs tors. theta energy: -199.963 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: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2265.155863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.155863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.155863 (E_RNA) where: Base-Base interactions energy: -1525.292 where: short stacking energy: -639.245 Base-Backbone interact. energy: 0.761 local terms energy: -740.624635 where: bonds (distance) C4'-P energy: -129.188 bonds (distance) P-C4' energy: -177.512 flat angles C4'-P-C4' energy: -170.244 flat angles P-C4'-P energy: -99.687 tors. eta vs tors. theta energy: -163.993 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: 10 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2184.089845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.089845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.089845 (E_RNA) where: Base-Base interactions energy: -1449.172 where: short stacking energy: -646.313 Base-Backbone interact. energy: -1.976 local terms energy: -732.942637 where: bonds (distance) C4'-P energy: -142.482 bonds (distance) P-C4' energy: -126.908 flat angles C4'-P-C4' energy: -176.165 flat angles P-C4'-P energy: -106.024 tors. eta vs tors. theta energy: -181.364 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: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1821.292533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.292533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.292533 (E_RNA) where: Base-Base interactions energy: -1135.317 where: short stacking energy: -500.401 Base-Backbone interact. energy: 2.531 local terms energy: -688.506389 where: bonds (distance) C4'-P energy: -160.873 bonds (distance) P-C4' energy: -146.195 flat angles C4'-P-C4' energy: -152.665 flat angles P-C4'-P energy: -96.924 tors. eta vs tors. theta energy: -131.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1670.038777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.038777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.038777 (E_RNA) where: Base-Base interactions energy: -1004.789 where: short stacking energy: -464.226 Base-Backbone interact. energy: -0.531 local terms energy: -664.719254 where: bonds (distance) C4'-P energy: -158.640 bonds (distance) P-C4' energy: -154.766 flat angles C4'-P-C4' energy: -165.040 flat angles P-C4'-P energy: -80.449 tors. eta vs tors. theta energy: -105.825 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: 4 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1313.242338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.242338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.242338 (E_RNA) where: Base-Base interactions energy: -763.112 where: short stacking energy: -381.817 Base-Backbone interact. energy: 3.521 local terms energy: -553.651934 where: bonds (distance) C4'-P energy: -130.090 bonds (distance) P-C4' energy: -142.299 flat angles C4'-P-C4' energy: -116.036 flat angles P-C4'-P energy: -98.159 tors. eta vs tors. theta energy: -67.068 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: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1017.854943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.854943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.854943 (E_RNA) where: Base-Base interactions energy: -547.354 where: short stacking energy: -288.071 Base-Backbone interact. energy: -0.099 local terms energy: -470.401644 where: bonds (distance) C4'-P energy: -151.209 bonds (distance) P-C4' energy: -125.919 flat angles C4'-P-C4' energy: -122.050 flat angles P-C4'-P energy: -61.893 tors. eta vs tors. theta energy: -9.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -720.881196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.881196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.881196 (E_RNA) where: Base-Base interactions energy: -298.391 where: short stacking energy: -186.007 Base-Backbone interact. energy: -3.994 local terms energy: -418.495966 where: bonds (distance) C4'-P energy: -123.357 bonds (distance) P-C4' energy: -138.295 flat angles C4'-P-C4' energy: -128.483 flat angles P-C4'-P energy: -55.292 tors. eta vs tors. theta energy: 26.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2727.850649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.850649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.850649 (E_RNA) where: Base-Base interactions energy: -1904.032 where: short stacking energy: -753.025 Base-Backbone interact. energy: -4.634 local terms energy: -819.184193 where: bonds (distance) C4'-P energy: -144.477 bonds (distance) P-C4' energy: -169.467 flat angles C4'-P-C4' energy: -180.046 flat angles P-C4'-P energy: -123.108 tors. eta vs tors. theta energy: -202.087 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: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2670.089443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.089443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.089443 (E_RNA) where: Base-Base interactions energy: -1827.830 where: short stacking energy: -772.809 Base-Backbone interact. energy: -0.747 local terms energy: -841.513173 where: bonds (distance) C4'-P energy: -145.805 bonds (distance) P-C4' energy: -180.062 flat angles C4'-P-C4' energy: -181.754 flat angles P-C4'-P energy: -118.666 tors. eta vs tors. theta energy: -215.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2449.484922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.484922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.484922 (E_RNA) where: Base-Base interactions energy: -1638.338 where: short stacking energy: -718.201 Base-Backbone interact. energy: 0.325 local terms energy: -811.471937 where: bonds (distance) C4'-P energy: -155.219 bonds (distance) P-C4' energy: -152.320 flat angles C4'-P-C4' energy: -179.467 flat angles P-C4'-P energy: -122.738 tors. eta vs tors. theta energy: -201.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2315.679425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.679425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.679425 (E_RNA) where: Base-Base interactions energy: -1537.382 where: short stacking energy: -712.590 Base-Backbone interact. energy: 1.132 local terms energy: -779.429091 where: bonds (distance) C4'-P energy: -141.154 bonds (distance) P-C4' energy: -148.873 flat angles C4'-P-C4' energy: -174.099 flat angles P-C4'-P energy: -105.636 tors. eta vs tors. theta energy: -209.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2159.403418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.403418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.403418 (E_RNA) where: Base-Base interactions energy: -1411.224 where: short stacking energy: -625.389 Base-Backbone interact. energy: 4.320 local terms energy: -752.500283 where: bonds (distance) C4'-P energy: -160.313 bonds (distance) P-C4' energy: -152.567 flat angles C4'-P-C4' energy: -163.571 flat angles P-C4'-P energy: -114.316 tors. eta vs tors. theta energy: -161.733 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: 1 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1852.620223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.620223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.620223 (E_RNA) where: Base-Base interactions energy: -1205.383 where: short stacking energy: -534.480 Base-Backbone interact. energy: -4.647 local terms energy: -642.589690 where: bonds (distance) C4'-P energy: -144.155 bonds (distance) P-C4' energy: -139.516 flat angles C4'-P-C4' energy: -158.160 flat angles P-C4'-P energy: -76.651 tors. eta vs tors. theta energy: -124.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1702.945698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.945698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.945698 (E_RNA) where: Base-Base interactions energy: -1034.206 where: short stacking energy: -471.642 Base-Backbone interact. energy: -2.646 local terms energy: -666.093603 where: bonds (distance) C4'-P energy: -142.722 bonds (distance) P-C4' energy: -145.827 flat angles C4'-P-C4' energy: -160.177 flat angles P-C4'-P energy: -86.959 tors. eta vs tors. theta energy: -130.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1294.708788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.708788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.708788 (E_RNA) where: Base-Base interactions energy: -724.221 where: short stacking energy: -370.270 Base-Backbone interact. energy: -3.960 local terms energy: -566.527296 where: bonds (distance) C4'-P energy: -159.075 bonds (distance) P-C4' energy: -129.818 flat angles C4'-P-C4' energy: -134.040 flat angles P-C4'-P energy: -76.016 tors. eta vs tors. theta energy: -67.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -938.731746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.731746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.731746 (E_RNA) where: Base-Base interactions energy: -504.044 where: short stacking energy: -290.580 Base-Backbone interact. energy: -0.566 local terms energy: -434.121824 where: bonds (distance) C4'-P energy: -135.825 bonds (distance) P-C4' energy: -124.584 flat angles C4'-P-C4' energy: -104.456 flat angles P-C4'-P energy: -51.576 tors. eta vs tors. theta energy: -17.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -712.443192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.443192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.443192 (E_RNA) where: Base-Base interactions energy: -305.689 where: short stacking energy: -188.543 Base-Backbone interact. energy: 7.206 local terms energy: -413.959992 where: bonds (distance) C4'-P energy: -135.410 bonds (distance) P-C4' energy: -132.784 flat angles C4'-P-C4' energy: -120.821 flat angles P-C4'-P energy: -63.420 tors. eta vs tors. theta energy: 38.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2731.089420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.089420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.089420 (E_RNA) where: Base-Base interactions energy: -1863.370 where: short stacking energy: -776.368 Base-Backbone interact. energy: -5.083 local terms energy: -862.635620 where: bonds (distance) C4'-P energy: -179.557 bonds (distance) P-C4' energy: -157.531 flat angles C4'-P-C4' energy: -197.055 flat angles P-C4'-P energy: -105.097 tors. eta vs tors. theta energy: -223.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2664.265969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.265969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.265969 (E_RNA) where: Base-Base interactions energy: -1813.152 where: short stacking energy: -777.374 Base-Backbone interact. energy: 1.280 local terms energy: -852.393532 where: bonds (distance) C4'-P energy: -147.717 bonds (distance) P-C4' energy: -169.513 flat angles C4'-P-C4' energy: -179.711 flat angles P-C4'-P energy: -126.172 tors. eta vs tors. theta energy: -229.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2457.870441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.870441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.870441 (E_RNA) where: Base-Base interactions energy: -1662.889 where: short stacking energy: -708.350 Base-Backbone interact. energy: 2.460 local terms energy: -797.441651 where: bonds (distance) C4'-P energy: -152.753 bonds (distance) P-C4' energy: -164.894 flat angles C4'-P-C4' energy: -173.090 flat angles P-C4'-P energy: -104.498 tors. eta vs tors. theta energy: -202.206 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: 4, replica: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2316.055351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.055351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.055351 (E_RNA) where: Base-Base interactions energy: -1533.282 where: short stacking energy: -673.753 Base-Backbone interact. energy: -2.756 local terms energy: -780.017281 where: bonds (distance) C4'-P energy: -162.707 bonds (distance) P-C4' energy: -157.423 flat angles C4'-P-C4' energy: -164.282 flat angles P-C4'-P energy: -98.993 tors. eta vs tors. theta energy: -196.612 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: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2112.220420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.220420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.220420 (E_RNA) where: Base-Base interactions energy: -1387.652 where: short stacking energy: -610.712 Base-Backbone interact. energy: -0.540 local terms energy: -724.028023 where: bonds (distance) C4'-P energy: -138.344 bonds (distance) P-C4' energy: -152.290 flat angles C4'-P-C4' energy: -166.644 flat angles P-C4'-P energy: -94.884 tors. eta vs tors. theta energy: -171.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1809.079759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.079759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.079759 (E_RNA) where: Base-Base interactions energy: -1159.935 where: short stacking energy: -531.228 Base-Backbone interact. energy: -2.700 local terms energy: -646.445297 where: bonds (distance) C4'-P energy: -145.192 bonds (distance) P-C4' energy: -148.888 flat angles C4'-P-C4' energy: -147.774 flat angles P-C4'-P energy: -83.234 tors. eta vs tors. theta energy: -121.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1632.286884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.286884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.286884 (E_RNA) where: Base-Base interactions energy: -1016.195 where: short stacking energy: -435.089 Base-Backbone interact. energy: -4.245 local terms energy: -611.846960 where: bonds (distance) C4'-P energy: -144.560 bonds (distance) P-C4' energy: -140.314 flat angles C4'-P-C4' energy: -143.999 flat angles P-C4'-P energy: -92.044 tors. eta vs tors. theta energy: -90.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1321.311934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.311934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.311934 (E_RNA) where: Base-Base interactions energy: -744.730 where: short stacking energy: -366.717 Base-Backbone interact. energy: 4.086 local terms energy: -580.668169 where: bonds (distance) C4'-P energy: -146.423 bonds (distance) P-C4' energy: -150.656 flat angles C4'-P-C4' energy: -131.863 flat angles P-C4'-P energy: -83.788 tors. eta vs tors. theta energy: -67.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -926.585861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.585861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.585861 (E_RNA) where: Base-Base interactions energy: -449.164 where: short stacking energy: -249.871 Base-Backbone interact. energy: 2.582 local terms energy: -480.003671 where: bonds (distance) C4'-P energy: -109.576 bonds (distance) P-C4' energy: -148.995 flat angles C4'-P-C4' energy: -127.807 flat angles P-C4'-P energy: -95.739 tors. eta vs tors. theta energy: 2.113 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: 6 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -760.813598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.813598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.813598 (E_RNA) where: Base-Base interactions energy: -334.533 where: short stacking energy: -190.420 Base-Backbone interact. energy: -1.123 local terms energy: -425.157802 where: bonds (distance) C4'-P energy: -130.614 bonds (distance) P-C4' energy: -130.926 flat angles C4'-P-C4' energy: -99.193 flat angles P-C4'-P energy: -89.046 tors. eta vs tors. theta energy: 24.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2739.293683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.293683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.293683 (E_RNA) where: Base-Base interactions energy: -1887.970 where: short stacking energy: -777.152 Base-Backbone interact. energy: 0.202 local terms energy: -851.525644 where: bonds (distance) C4'-P energy: -152.482 bonds (distance) P-C4' energy: -191.113 flat angles C4'-P-C4' energy: -182.847 flat angles P-C4'-P energy: -101.198 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: 2, replica: 7 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2676.866893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.866893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.866893 (E_RNA) where: Base-Base interactions energy: -1803.872 where: short stacking energy: -790.260 Base-Backbone interact. energy: -4.396 local terms energy: -868.599638 where: bonds (distance) C4'-P energy: -156.601 bonds (distance) P-C4' energy: -163.099 flat angles C4'-P-C4' energy: -191.612 flat angles P-C4'-P energy: -121.924 tors. eta vs tors. theta energy: -235.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2455.841733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.841733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.841733 (E_RNA) where: Base-Base interactions energy: -1670.423 where: short stacking energy: -731.400 Base-Backbone interact. energy: -0.841 local terms energy: -784.577862 where: bonds (distance) C4'-P energy: -148.130 bonds (distance) P-C4' energy: -157.189 flat angles C4'-P-C4' energy: -165.273 flat angles P-C4'-P energy: -109.345 tors. eta vs tors. theta energy: -204.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2348.405102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.405102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.405102 (E_RNA) where: Base-Base interactions energy: -1558.664 where: short stacking energy: -693.700 Base-Backbone interact. energy: -2.139 local terms energy: -787.602405 where: bonds (distance) C4'-P energy: -135.133 bonds (distance) P-C4' energy: -159.432 flat angles C4'-P-C4' energy: -176.135 flat angles P-C4'-P energy: -117.263 tors. eta vs tors. theta energy: -199.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2161.675235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.675235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.675235 (E_RNA) where: Base-Base interactions energy: -1442.873 where: short stacking energy: -630.507 Base-Backbone interact. energy: -2.086 local terms energy: -716.716414 where: bonds (distance) C4'-P energy: -143.019 bonds (distance) P-C4' energy: -135.967 flat angles C4'-P-C4' energy: -168.186 flat angles P-C4'-P energy: -102.815 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: 1 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1863.283581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.283581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.283581 (E_RNA) where: Base-Base interactions energy: -1197.398 where: short stacking energy: -555.183 Base-Backbone interact. energy: 1.760 local terms energy: -667.645928 where: bonds (distance) C4'-P energy: -152.839 bonds (distance) P-C4' energy: -144.689 flat angles C4'-P-C4' energy: -139.389 flat angles P-C4'-P energy: -103.578 tors. eta vs tors. theta energy: -127.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1676.577832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.577832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.577832 (E_RNA) where: Base-Base interactions energy: -1038.145 where: short stacking energy: -477.830 Base-Backbone interact. energy: -2.741 local terms energy: -635.691969 where: bonds (distance) C4'-P energy: -136.884 bonds (distance) P-C4' energy: -146.253 flat angles C4'-P-C4' energy: -147.861 flat angles P-C4'-P energy: -92.989 tors. eta vs tors. theta energy: -111.705 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: 97 Temperature: 1.250000 Total energy: -1290.611486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.611486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.611486 (E_RNA) where: Base-Base interactions energy: -731.289 where: short stacking energy: -342.619 Base-Backbone interact. energy: 2.473 local terms energy: -561.795544 where: bonds (distance) C4'-P energy: -156.061 bonds (distance) P-C4' energy: -133.579 flat angles C4'-P-C4' energy: -124.696 flat angles P-C4'-P energy: -74.002 tors. eta vs tors. theta energy: -73.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -959.028151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.028151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.028151 (E_RNA) where: Base-Base interactions energy: -512.962 where: short stacking energy: -255.606 Base-Backbone interact. energy: 9.455 local terms energy: -455.521146 where: bonds (distance) C4'-P energy: -127.226 bonds (distance) P-C4' energy: -144.173 flat angles C4'-P-C4' energy: -98.120 flat angles P-C4'-P energy: -72.735 tors. eta vs tors. theta energy: -13.266 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: 6 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -720.140716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.140716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.140716 (E_RNA) where: Base-Base interactions energy: -313.688 where: short stacking energy: -187.292 Base-Backbone interact. energy: 6.885 local terms energy: -413.338256 where: bonds (distance) C4'-P energy: -145.274 bonds (distance) P-C4' energy: -133.489 flat angles C4'-P-C4' energy: -117.719 flat angles P-C4'-P energy: -58.826 tors. eta vs tors. theta energy: 41.970 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: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2689.675378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.675378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.675378 (E_RNA) where: Base-Base interactions energy: -1846.279 where: short stacking energy: -735.368 Base-Backbone interact. energy: 0.534 local terms energy: -843.930690 where: bonds (distance) C4'-P energy: -187.777 bonds (distance) P-C4' energy: -175.152 flat angles C4'-P-C4' energy: -170.615 flat angles P-C4'-P energy: -102.076 tors. eta vs tors. theta energy: -208.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2683.377824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.377824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.377824 (E_RNA) where: Base-Base interactions energy: -1836.106 where: short stacking energy: -784.441 Base-Backbone interact. energy: -5.160 local terms energy: -842.112165 where: bonds (distance) C4'-P energy: -180.973 bonds (distance) P-C4' energy: -146.451 flat angles C4'-P-C4' energy: -175.847 flat angles P-C4'-P energy: -110.669 tors. eta vs tors. theta energy: -228.172 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: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2485.980553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.980553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.980553 (E_RNA) where: Base-Base interactions energy: -1680.451 where: short stacking energy: -730.806 Base-Backbone interact. energy: -0.199 local terms energy: -805.330651 where: bonds (distance) C4'-P energy: -144.789 bonds (distance) P-C4' energy: -147.734 flat angles C4'-P-C4' energy: -179.927 flat angles P-C4'-P energy: -118.482 tors. eta vs tors. theta energy: -214.398 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: 10 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2341.967112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.967112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.967112 (E_RNA) where: Base-Base interactions energy: -1558.683 where: short stacking energy: -688.744 Base-Backbone interact. energy: -3.506 local terms energy: -779.777717 where: bonds (distance) C4'-P energy: -144.612 bonds (distance) P-C4' energy: -140.127 flat angles C4'-P-C4' energy: -185.563 flat angles P-C4'-P energy: -106.083 tors. eta vs tors. theta energy: -203.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2203.070563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.070563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.070563 (E_RNA) where: Base-Base interactions energy: -1478.804 where: short stacking energy: -661.988 Base-Backbone interact. energy: -3.691 local terms energy: -720.575586 where: bonds (distance) C4'-P energy: -139.242 bonds (distance) P-C4' energy: -142.653 flat angles C4'-P-C4' energy: -155.070 flat angles P-C4'-P energy: -105.402 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: 6, replica: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1884.057156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.057156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.057156 (E_RNA) where: Base-Base interactions energy: -1183.412 where: short stacking energy: -541.963 Base-Backbone interact. energy: 1.500 local terms energy: -702.145107 where: bonds (distance) C4'-P energy: -144.830 bonds (distance) P-C4' energy: -146.111 flat angles C4'-P-C4' energy: -166.938 flat angles P-C4'-P energy: -109.216 tors. eta vs tors. theta energy: -135.049 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: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1644.164263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.164263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.164263 (E_RNA) where: Base-Base interactions energy: -1029.805 where: short stacking energy: -457.233 Base-Backbone interact. energy: -2.257 local terms energy: -612.102119 where: bonds (distance) C4'-P energy: -124.819 bonds (distance) P-C4' energy: -149.293 flat angles C4'-P-C4' energy: -136.373 flat angles P-C4'-P energy: -102.911 tors. eta vs tors. theta energy: -98.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1313.294203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.294203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.294203 (E_RNA) where: Base-Base interactions energy: -763.281 where: short stacking energy: -364.427 Base-Backbone interact. energy: -0.142 local terms energy: -549.871174 where: bonds (distance) C4'-P energy: -140.670 bonds (distance) P-C4' energy: -130.325 flat angles C4'-P-C4' energy: -143.837 flat angles P-C4'-P energy: -94.535 tors. eta vs tors. theta energy: -40.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -965.654652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.654652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.654652 (E_RNA) where: Base-Base interactions energy: -500.310 where: short stacking energy: -275.239 Base-Backbone interact. energy: -1.648 local terms energy: -463.697166 where: bonds (distance) C4'-P energy: -136.142 bonds (distance) P-C4' energy: -125.572 flat angles C4'-P-C4' energy: -135.258 flat angles P-C4'-P energy: -61.806 tors. eta vs tors. theta energy: -4.920 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: 6 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -716.760168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.760168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.760168 (E_RNA) where: Base-Base interactions energy: -316.356 where: short stacking energy: -207.472 Base-Backbone interact. energy: 0.858 local terms energy: -401.262501 where: bonds (distance) C4'-P energy: -132.260 bonds (distance) P-C4' energy: -105.696 flat angles C4'-P-C4' energy: -131.845 flat angles P-C4'-P energy: -66.419 tors. eta vs tors. theta energy: 34.957 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: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2712.876692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.876692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.876692 (E_RNA) where: Base-Base interactions energy: -1884.328 where: short stacking energy: -781.328 Base-Backbone interact. energy: -2.298 local terms energy: -826.250829 where: bonds (distance) C4'-P energy: -152.275 bonds (distance) P-C4' energy: -164.953 flat angles C4'-P-C4' energy: -170.643 flat angles P-C4'-P energy: -124.158 tors. eta vs tors. theta energy: -214.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2709.134716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.134716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.134716 (E_RNA) where: Base-Base interactions energy: -1852.518 where: short stacking energy: -808.510 Base-Backbone interact. energy: 1.431 local terms energy: -858.047791 where: bonds (distance) C4'-P energy: -155.344 bonds (distance) P-C4' energy: -170.542 flat angles C4'-P-C4' energy: -179.620 flat angles P-C4'-P energy: -121.079 tors. eta vs tors. theta energy: -231.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2467.300550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.300550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.300550 (E_RNA) where: Base-Base interactions energy: -1666.115 where: short stacking energy: -699.462 Base-Backbone interact. energy: 0.705 local terms energy: -801.890457 where: bonds (distance) C4'-P energy: -133.866 bonds (distance) P-C4' energy: -173.837 flat angles C4'-P-C4' energy: -185.965 flat angles P-C4'-P energy: -119.142 tors. eta vs tors. theta energy: -189.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2395.742614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.742614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.742614 (E_RNA) where: Base-Base interactions energy: -1578.819 where: short stacking energy: -728.926 Base-Backbone interact. energy: 0.342 local terms energy: -817.265540 where: bonds (distance) C4'-P energy: -135.320 bonds (distance) P-C4' energy: -166.163 flat angles C4'-P-C4' energy: -170.677 flat angles P-C4'-P energy: -128.982 tors. eta vs tors. theta energy: -216.124 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: 5, replica: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2190.205496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.205496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.205496 (E_RNA) where: Base-Base interactions energy: -1464.002 where: short stacking energy: -621.777 Base-Backbone interact. energy: 3.547 local terms energy: -729.750264 where: bonds (distance) C4'-P energy: -139.438 bonds (distance) P-C4' energy: -142.826 flat angles C4'-P-C4' energy: -157.475 flat angles P-C4'-P energy: -104.603 tors. eta vs tors. theta energy: -185.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1816.437281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.437281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.437281 (E_RNA) where: Base-Base interactions energy: -1175.787 where: short stacking energy: -535.848 Base-Backbone interact. energy: -1.233 local terms energy: -639.417859 where: bonds (distance) C4'-P energy: -114.822 bonds (distance) P-C4' energy: -146.571 flat angles C4'-P-C4' energy: -153.604 flat angles P-C4'-P energy: -90.057 tors. eta vs tors. theta energy: -134.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1606.665230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.665230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.665230 (E_RNA) where: Base-Base interactions energy: -1006.387 where: short stacking energy: -471.373 Base-Backbone interact. energy: 3.484 local terms energy: -603.762421 where: bonds (distance) C4'-P energy: -130.372 bonds (distance) P-C4' energy: -150.936 flat angles C4'-P-C4' energy: -132.496 flat angles P-C4'-P energy: -82.964 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: 4 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1280.598188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.598188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.598188 (E_RNA) where: Base-Base interactions energy: -760.881 where: short stacking energy: -405.789 Base-Backbone interact. energy: -0.282 local terms energy: -519.435263 where: bonds (distance) C4'-P energy: -130.902 bonds (distance) P-C4' energy: -121.916 flat angles C4'-P-C4' energy: -142.638 flat angles P-C4'-P energy: -69.338 tors. eta vs tors. theta energy: -54.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -943.697293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.697293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.697293 (E_RNA) where: Base-Base interactions energy: -485.012 where: short stacking energy: -260.807 Base-Backbone interact. energy: 12.868 local terms energy: -471.552993 where: bonds (distance) C4'-P energy: -130.714 bonds (distance) P-C4' energy: -137.967 flat angles C4'-P-C4' energy: -154.923 flat angles P-C4'-P energy: -56.291 tors. eta vs tors. theta energy: 8.342 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: 6 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -821.855779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.855779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.855779 (E_RNA) where: Base-Base interactions energy: -419.697 where: short stacking energy: -259.407 Base-Backbone interact. energy: -4.147 local terms energy: -398.012066 where: bonds (distance) C4'-P energy: -115.506 bonds (distance) P-C4' energy: -101.887 flat angles C4'-P-C4' energy: -89.103 flat angles P-C4'-P energy: -87.351 tors. eta vs tors. theta energy: -4.165 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: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2685.926455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.926455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.926455 (E_RNA) where: Base-Base interactions energy: -1838.161 where: short stacking energy: -773.792 Base-Backbone interact. energy: -0.257 local terms energy: -847.508427 where: bonds (distance) C4'-P energy: -162.502 bonds (distance) P-C4' energy: -167.240 flat angles C4'-P-C4' energy: -182.207 flat angles P-C4'-P energy: -112.081 tors. eta vs tors. theta energy: -223.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2690.582299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.582299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.582299 (E_RNA) where: Base-Base interactions energy: -1833.003 where: short stacking energy: -781.635 Base-Backbone interact. energy: -3.168 local terms energy: -854.411493 where: bonds (distance) C4'-P energy: -155.034 bonds (distance) P-C4' energy: -174.644 flat angles C4'-P-C4' energy: -176.018 flat angles P-C4'-P energy: -114.374 tors. eta vs tors. theta energy: -234.342 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: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2479.880177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.880177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.880177 (E_RNA) where: Base-Base interactions energy: -1647.494 where: short stacking energy: -728.889 Base-Backbone interact. energy: -0.234 local terms energy: -832.152762 where: bonds (distance) C4'-P energy: -147.045 bonds (distance) P-C4' energy: -161.905 flat angles C4'-P-C4' energy: -189.140 flat angles P-C4'-P energy: -121.141 tors. eta vs tors. theta energy: -212.923 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: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2375.557355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.557355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.557355 (E_RNA) where: Base-Base interactions energy: -1608.556 where: short stacking energy: -742.703 Base-Backbone interact. energy: -1.376 local terms energy: -765.625026 where: bonds (distance) C4'-P energy: -130.895 bonds (distance) P-C4' energy: -154.633 flat angles C4'-P-C4' energy: -156.945 flat angles P-C4'-P energy: -104.816 tors. eta vs tors. theta energy: -218.337 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: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2124.945942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.945942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.945942 (E_RNA) where: Base-Base interactions energy: -1441.038 where: short stacking energy: -639.258 Base-Backbone interact. energy: -1.447 local terms energy: -682.460725 where: bonds (distance) C4'-P energy: -127.343 bonds (distance) P-C4' energy: -130.838 flat angles C4'-P-C4' energy: -155.990 flat angles P-C4'-P energy: -94.393 tors. eta vs tors. theta energy: -173.896 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: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1957.346272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.346272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.346272 (E_RNA) where: Base-Base interactions energy: -1233.349 where: short stacking energy: -567.264 Base-Backbone interact. energy: -1.444 local terms energy: -722.554099 where: bonds (distance) C4'-P energy: -173.880 bonds (distance) P-C4' energy: -149.432 flat angles C4'-P-C4' energy: -159.578 flat angles P-C4'-P energy: -99.814 tors. eta vs tors. theta energy: -139.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1610.241239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.241239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.241239 (E_RNA) where: Base-Base interactions energy: -1003.813 where: short stacking energy: -437.098 Base-Backbone interact. energy: -1.081 local terms energy: -605.347427 where: bonds (distance) C4'-P energy: -127.441 bonds (distance) P-C4' energy: -142.426 flat angles C4'-P-C4' energy: -139.054 flat angles P-C4'-P energy: -82.142 tors. eta vs tors. theta energy: -114.285 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: 4 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1329.069457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.069457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.069457 (E_RNA) where: Base-Base interactions energy: -744.270 where: short stacking energy: -362.265 Base-Backbone interact. energy: 3.241 local terms energy: -588.040605 where: bonds (distance) C4'-P energy: -136.653 bonds (distance) P-C4' energy: -149.955 flat angles C4'-P-C4' energy: -146.645 flat angles P-C4'-P energy: -80.063 tors. eta vs tors. theta energy: -74.725 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: 6 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -936.470908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.470908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.470908 (E_RNA) where: Base-Base interactions energy: -480.898 where: short stacking energy: -279.637 Base-Backbone interact. energy: -3.883 local terms energy: -451.690429 where: bonds (distance) C4'-P energy: -115.313 bonds (distance) P-C4' energy: -118.353 flat angles C4'-P-C4' energy: -136.914 flat angles P-C4'-P energy: -68.531 tors. eta vs tors. theta energy: -12.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -929.259537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.259537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.259537 (E_RNA) where: Base-Base interactions energy: -497.312 where: short stacking energy: -266.178 Base-Backbone interact. energy: 0.836 local terms energy: -432.784139 where: bonds (distance) C4'-P energy: -134.243 bonds (distance) P-C4' energy: -143.698 flat angles C4'-P-C4' energy: -103.670 flat angles P-C4'-P energy: -52.600 tors. eta vs tors. theta energy: 1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2718.226676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.226676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.226676 (E_RNA) where: Base-Base interactions energy: -1880.327 where: short stacking energy: -777.662 Base-Backbone interact. energy: 1.466 local terms energy: -839.366498 where: bonds (distance) C4'-P energy: -164.713 bonds (distance) P-C4' energy: -164.176 flat angles C4'-P-C4' energy: -185.811 flat angles P-C4'-P energy: -116.658 tors. eta vs tors. theta energy: -208.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2631.785872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.785872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.785872 (E_RNA) where: Base-Base interactions energy: -1799.466 where: short stacking energy: -755.896 Base-Backbone interact. energy: -5.678 local terms energy: -826.641523 where: bonds (distance) C4'-P energy: -162.469 bonds (distance) P-C4' energy: -166.650 flat angles C4'-P-C4' energy: -169.541 flat angles P-C4'-P energy: -115.664 tors. eta vs tors. theta energy: -212.318 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: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2462.895021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.895021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.895021 (E_RNA) where: Base-Base interactions energy: -1662.340 where: short stacking energy: -681.713 Base-Backbone interact. energy: -4.982 local terms energy: -795.573474 where: bonds (distance) C4'-P energy: -135.871 bonds (distance) P-C4' energy: -171.556 flat angles C4'-P-C4' energy: -178.620 flat angles P-C4'-P energy: -114.535 tors. eta vs tors. theta energy: -194.992 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: 10 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2343.686825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.686825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.686825 (E_RNA) where: Base-Base interactions energy: -1533.074 where: short stacking energy: -714.809 Base-Backbone interact. energy: -2.046 local terms energy: -808.566144 where: bonds (distance) C4'-P energy: -162.086 bonds (distance) P-C4' energy: -165.817 flat angles C4'-P-C4' energy: -168.710 flat angles P-C4'-P energy: -104.035 tors. eta vs tors. theta energy: -207.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2124.805377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.805377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.805377 (E_RNA) where: Base-Base interactions energy: -1408.915 where: short stacking energy: -628.934 Base-Backbone interact. energy: -6.906 local terms energy: -708.983922 where: bonds (distance) C4'-P energy: -120.835 bonds (distance) P-C4' energy: -155.711 flat angles C4'-P-C4' energy: -162.694 flat angles P-C4'-P energy: -99.462 tors. eta vs tors. theta energy: -170.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1907.849825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.849825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.849825 (E_RNA) where: Base-Base interactions energy: -1245.864 where: short stacking energy: -550.392 Base-Backbone interact. energy: -6.859 local terms energy: -655.126445 where: bonds (distance) C4'-P energy: -135.681 bonds (distance) P-C4' energy: -131.216 flat angles C4'-P-C4' energy: -153.780 flat angles P-C4'-P energy: -91.976 tors. eta vs tors. theta energy: -142.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1594.960379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.960379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.960379 (E_RNA) where: Base-Base interactions energy: -994.353 where: short stacking energy: -408.373 Base-Backbone interact. energy: 1.252 local terms energy: -601.859671 where: bonds (distance) C4'-P energy: -156.728 bonds (distance) P-C4' energy: -139.225 flat angles C4'-P-C4' energy: -129.754 flat angles P-C4'-P energy: -90.024 tors. eta vs tors. theta energy: -86.128 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: 8, replica: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1269.011750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.011750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.011750 (E_RNA) where: Base-Base interactions energy: -759.301 where: short stacking energy: -382.481 Base-Backbone interact. energy: -2.000 local terms energy: -507.710217 where: bonds (distance) C4'-P energy: -113.478 bonds (distance) P-C4' energy: -136.755 flat angles C4'-P-C4' energy: -121.311 flat angles P-C4'-P energy: -94.096 tors. eta vs tors. theta energy: -42.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -972.857833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.857833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.857833 (E_RNA) where: Base-Base interactions energy: -514.436 where: short stacking energy: -258.611 Base-Backbone interact. energy: 0.648 local terms energy: -459.069762 where: bonds (distance) C4'-P energy: -112.254 bonds (distance) P-C4' energy: -151.718 flat angles C4'-P-C4' energy: -116.629 flat angles P-C4'-P energy: -77.530 tors. eta vs tors. theta energy: -0.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -893.121633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.121633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.121633 (E_RNA) where: Base-Base interactions energy: -443.937 where: short stacking energy: -218.686 Base-Backbone interact. energy: 3.801 local terms energy: -452.986008 where: bonds (distance) C4'-P energy: -127.382 bonds (distance) P-C4' energy: -140.232 flat angles C4'-P-C4' energy: -122.556 flat angles P-C4'-P energy: -57.676 tors. eta vs tors. theta energy: -5.140 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: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2721.316037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.316037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.316037 (E_RNA) where: Base-Base interactions energy: -1837.246 where: short stacking energy: -749.674 Base-Backbone interact. energy: -5.606 local terms energy: -878.464250 where: bonds (distance) C4'-P energy: -180.835 bonds (distance) P-C4' energy: -175.248 flat angles C4'-P-C4' energy: -184.022 flat angles P-C4'-P energy: -132.255 tors. eta vs tors. theta energy: -206.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2638.203040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.203040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.203040 (E_RNA) where: Base-Base interactions energy: -1822.134 where: short stacking energy: -783.692 Base-Backbone interact. energy: 0.229 local terms energy: -816.297754 where: bonds (distance) C4'-P energy: -150.133 bonds (distance) P-C4' energy: -161.032 flat angles C4'-P-C4' energy: -164.832 flat angles P-C4'-P energy: -122.089 tors. eta vs tors. theta energy: -218.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2472.004788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.004788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.004788 (E_RNA) where: Base-Base interactions energy: -1663.362 where: short stacking energy: -721.661 Base-Backbone interact. energy: -4.761 local terms energy: -803.882188 where: bonds (distance) C4'-P energy: -159.375 bonds (distance) P-C4' energy: -147.593 flat angles C4'-P-C4' energy: -171.075 flat angles P-C4'-P energy: -121.930 tors. eta vs tors. theta energy: -203.910 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: 10 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2341.293202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.293202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.293202 (E_RNA) where: Base-Base interactions energy: -1557.938 where: short stacking energy: -687.828 Base-Backbone interact. energy: -1.358 local terms energy: -781.997682 where: bonds (distance) C4'-P energy: -146.594 bonds (distance) P-C4' energy: -159.142 flat angles C4'-P-C4' energy: -178.558 flat angles P-C4'-P energy: -115.895 tors. eta vs tors. theta energy: -181.809 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: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2206.219855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.219855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.219855 (E_RNA) where: Base-Base interactions energy: -1410.137 where: short stacking energy: -648.385 Base-Backbone interact. energy: -2.670 local terms energy: -793.412231 where: bonds (distance) C4'-P energy: -150.116 bonds (distance) P-C4' energy: -165.343 flat angles C4'-P-C4' energy: -173.196 flat angles P-C4'-P energy: -114.060 tors. eta vs tors. theta energy: -190.697 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: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1920.987258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.987258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.987258 (E_RNA) where: Base-Base interactions energy: -1256.406 where: short stacking energy: -569.753 Base-Backbone interact. energy: -2.511 local terms energy: -662.070146 where: bonds (distance) C4'-P energy: -111.226 bonds (distance) P-C4' energy: -156.251 flat angles C4'-P-C4' energy: -165.412 flat angles P-C4'-P energy: -96.198 tors. eta vs tors. theta energy: -132.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1530.755735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.755735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.755735 (E_RNA) where: Base-Base interactions energy: -950.190 where: short stacking energy: -429.386 Base-Backbone interact. energy: 3.382 local terms energy: -583.947300 where: bonds (distance) C4'-P energy: -143.370 bonds (distance) P-C4' energy: -139.406 flat angles C4'-P-C4' energy: -145.050 flat angles P-C4'-P energy: -76.570 tors. eta vs tors. theta energy: -79.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1371.562102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.562102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.562102 (E_RNA) where: Base-Base interactions energy: -803.471 where: short stacking energy: -391.060 Base-Backbone interact. energy: 5.982 local terms energy: -574.073188 where: bonds (distance) C4'-P energy: -120.035 bonds (distance) P-C4' energy: -142.813 flat angles C4'-P-C4' energy: -151.660 flat angles P-C4'-P energy: -83.785 tors. eta vs tors. theta energy: -75.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1060.939492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.939492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.939492 (E_RNA) where: Base-Base interactions energy: -572.773 where: short stacking energy: -306.589 Base-Backbone interact. energy: -1.740 local terms energy: -486.426473 where: bonds (distance) C4'-P energy: -136.519 bonds (distance) P-C4' energy: -145.456 flat angles C4'-P-C4' energy: -116.614 flat angles P-C4'-P energy: -78.063 tors. eta vs tors. theta energy: -9.776 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: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -781.706383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.706383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.706383 (E_RNA) where: Base-Base interactions energy: -349.469 where: short stacking energy: -200.125 Base-Backbone interact. energy: -4.215 local terms energy: -428.022492 where: bonds (distance) C4'-P energy: -123.198 bonds (distance) P-C4' energy: -134.646 flat angles C4'-P-C4' energy: -124.277 flat angles P-C4'-P energy: -59.589 tors. eta vs tors. theta energy: 13.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2711.974372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.974372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.974372 (E_RNA) where: Base-Base interactions energy: -1851.339 where: short stacking energy: -750.752 Base-Backbone interact. energy: -0.919 local terms energy: -859.716229 where: bonds (distance) C4'-P energy: -168.117 bonds (distance) P-C4' energy: -162.755 flat angles C4'-P-C4' energy: -177.973 flat angles P-C4'-P energy: -126.582 tors. eta vs tors. theta energy: -224.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2658.372526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.372526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.372526 (E_RNA) where: Base-Base interactions energy: -1807.517 where: short stacking energy: -783.797 Base-Backbone interact. energy: -2.073 local terms energy: -848.781984 where: bonds (distance) C4'-P energy: -147.298 bonds (distance) P-C4' energy: -165.989 flat angles C4'-P-C4' energy: -181.757 flat angles P-C4'-P energy: -120.861 tors. eta vs tors. theta energy: -232.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2480.315102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.315102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.315102 (E_RNA) where: Base-Base interactions energy: -1652.619 where: short stacking energy: -699.092 Base-Backbone interact. energy: -3.497 local terms energy: -824.198279 where: bonds (distance) C4'-P energy: -152.686 bonds (distance) P-C4' energy: -166.502 flat angles C4'-P-C4' energy: -187.897 flat angles P-C4'-P energy: -128.020 tors. eta vs tors. theta energy: -189.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2353.481470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.481470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.481470 (E_RNA) where: Base-Base interactions energy: -1551.299 where: short stacking energy: -702.666 Base-Backbone interact. energy: -3.099 local terms energy: -799.082512 where: bonds (distance) C4'-P energy: -142.504 bonds (distance) P-C4' energy: -156.984 flat angles C4'-P-C4' energy: -175.154 flat angles P-C4'-P energy: -103.767 tors. eta vs tors. theta energy: -220.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2183.054690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.054690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.054690 (E_RNA) where: Base-Base interactions energy: -1452.008 where: short stacking energy: -635.886 Base-Backbone interact. energy: 10.259 local terms energy: -741.306251 where: bonds (distance) C4'-P energy: -140.917 bonds (distance) P-C4' energy: -154.253 flat angles C4'-P-C4' energy: -157.082 flat angles P-C4'-P energy: -105.703 tors. eta vs tors. theta energy: -183.351 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: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1933.602747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.602747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.602747 (E_RNA) where: Base-Base interactions energy: -1252.217 where: short stacking energy: -562.036 Base-Backbone interact. energy: 0.367 local terms energy: -681.752765 where: bonds (distance) C4'-P energy: -139.564 bonds (distance) P-C4' energy: -156.752 flat angles C4'-P-C4' energy: -151.508 flat angles P-C4'-P energy: -98.201 tors. eta vs tors. theta energy: -135.728 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: 2 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1593.083240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.083240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.083240 (E_RNA) where: Base-Base interactions energy: -984.903 where: short stacking energy: -470.119 Base-Backbone interact. energy: -3.633 local terms energy: -604.547221 where: bonds (distance) C4'-P energy: -150.514 bonds (distance) P-C4' energy: -120.936 flat angles C4'-P-C4' energy: -148.611 flat angles P-C4'-P energy: -81.363 tors. eta vs tors. theta energy: -103.123 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: 4 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1352.493019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.493019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.493019 (E_RNA) where: Base-Base interactions energy: -835.427 where: short stacking energy: -409.269 Base-Backbone interact. energy: -1.454 local terms energy: -515.611096 where: bonds (distance) C4'-P energy: -129.986 bonds (distance) P-C4' energy: -139.848 flat angles C4'-P-C4' energy: -110.600 flat angles P-C4'-P energy: -74.117 tors. eta vs tors. theta energy: -61.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -972.572587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.572587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.572587 (E_RNA) where: Base-Base interactions energy: -522.402 where: short stacking energy: -276.183 Base-Backbone interact. energy: 0.759 local terms energy: -450.929667 where: bonds (distance) C4'-P energy: -120.696 bonds (distance) P-C4' energy: -132.947 flat angles C4'-P-C4' energy: -111.000 flat angles P-C4'-P energy: -84.089 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -825.767978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.767978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.767978 (E_RNA) where: Base-Base interactions energy: -420.584 where: short stacking energy: -212.529 Base-Backbone interact. energy: 1.946 local terms energy: -407.129657 where: bonds (distance) C4'-P energy: -124.202 bonds (distance) P-C4' energy: -128.787 flat angles C4'-P-C4' energy: -109.357 flat angles P-C4'-P energy: -69.825 tors. eta vs tors. theta energy: 25.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2697.230691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.230691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.230691 (E_RNA) where: Base-Base interactions energy: -1826.924 where: short stacking energy: -737.152 Base-Backbone interact. energy: -3.231 local terms energy: -867.075560 where: bonds (distance) C4'-P energy: -166.888 bonds (distance) P-C4' energy: -172.551 flat angles C4'-P-C4' energy: -184.473 flat angles P-C4'-P energy: -125.580 tors. eta vs tors. theta energy: -217.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2624.008788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.008788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.008788 (E_RNA) where: Base-Base interactions energy: -1767.546 where: short stacking energy: -771.426 Base-Backbone interact. energy: -3.222 local terms energy: -853.240927 where: bonds (distance) C4'-P energy: -162.941 bonds (distance) P-C4' energy: -165.205 flat angles C4'-P-C4' energy: -169.369 flat angles P-C4'-P energy: -118.822 tors. eta vs tors. theta energy: -236.904 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: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2499.411109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.411109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.411109 (E_RNA) where: Base-Base interactions energy: -1695.688 where: short stacking energy: -743.110 Base-Backbone interact. energy: -6.836 local terms energy: -796.886189 where: bonds (distance) C4'-P energy: -141.171 bonds (distance) P-C4' energy: -167.504 flat angles C4'-P-C4' energy: -172.302 flat angles P-C4'-P energy: -106.576 tors. eta vs tors. theta energy: -209.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2324.016030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.016030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.016030 (E_RNA) where: Base-Base interactions energy: -1546.379 where: short stacking energy: -705.109 Base-Backbone interact. energy: -3.178 local terms energy: -774.458352 where: bonds (distance) C4'-P energy: -136.363 bonds (distance) P-C4' energy: -153.354 flat angles C4'-P-C4' energy: -168.070 flat angles P-C4'-P energy: -108.495 tors. eta vs tors. theta energy: -208.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2101.238204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.238204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.238204 (E_RNA) where: Base-Base interactions energy: -1355.119 where: short stacking energy: -621.351 Base-Backbone interact. energy: -0.221 local terms energy: -745.898021 where: bonds (distance) C4'-P energy: -147.002 bonds (distance) P-C4' energy: -160.221 flat angles C4'-P-C4' energy: -162.433 flat angles P-C4'-P energy: -100.375 tors. eta vs tors. theta energy: -175.868 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: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1933.174799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.174799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.174799 (E_RNA) where: Base-Base interactions energy: -1258.777 where: short stacking energy: -549.772 Base-Backbone interact. energy: -2.461 local terms energy: -671.936455 where: bonds (distance) C4'-P energy: -134.468 bonds (distance) P-C4' energy: -145.989 flat angles C4'-P-C4' energy: -151.052 flat angles P-C4'-P energy: -101.906 tors. eta vs tors. theta energy: -138.521 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: 2 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1648.160888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.160888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.160888 (E_RNA) where: Base-Base interactions energy: -1082.787 where: short stacking energy: -459.572 Base-Backbone interact. energy: 2.345 local terms energy: -567.718207 where: bonds (distance) C4'-P energy: -122.723 bonds (distance) P-C4' energy: -153.017 flat angles C4'-P-C4' energy: -125.692 flat angles P-C4'-P energy: -74.549 tors. eta vs tors. theta energy: -91.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1274.933635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.933635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.933635 (E_RNA) where: Base-Base interactions energy: -750.908 where: short stacking energy: -385.150 Base-Backbone interact. energy: -0.852 local terms energy: -523.173346 where: bonds (distance) C4'-P energy: -122.737 bonds (distance) P-C4' energy: -153.945 flat angles C4'-P-C4' energy: -117.192 flat angles P-C4'-P energy: -62.327 tors. eta vs tors. theta energy: -66.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -952.363893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.363893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.363893 (E_RNA) where: Base-Base interactions energy: -532.766 where: short stacking energy: -292.716 Base-Backbone interact. energy: -1.201 local terms energy: -418.397086 where: bonds (distance) C4'-P energy: -115.702 bonds (distance) P-C4' energy: -130.407 flat angles C4'-P-C4' energy: -116.286 flat angles P-C4'-P energy: -41.777 tors. eta vs tors. theta energy: -14.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -757.848840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.848840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.848840 (E_RNA) where: Base-Base interactions energy: -342.510 where: short stacking energy: -186.477 Base-Backbone interact. energy: 2.583 local terms energy: -417.922675 where: bonds (distance) C4'-P energy: -129.676 bonds (distance) P-C4' energy: -132.147 flat angles C4'-P-C4' energy: -99.843 flat angles P-C4'-P energy: -72.194 tors. eta vs tors. theta energy: 15.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2708.286691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.286691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.286691 (E_RNA) where: Base-Base interactions energy: -1873.775 where: short stacking energy: -752.238 Base-Backbone interact. energy: -8.134 local terms energy: -826.378047 where: bonds (distance) C4'-P energy: -157.603 bonds (distance) P-C4' energy: -157.125 flat angles C4'-P-C4' energy: -179.970 flat angles P-C4'-P energy: -125.437 tors. eta vs tors. theta energy: -206.243 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: 7 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2653.834142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.834142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.834142 (E_RNA) where: Base-Base interactions energy: -1807.409 where: short stacking energy: -774.172 Base-Backbone interact. energy: -1.112 local terms energy: -845.312403 where: bonds (distance) C4'-P energy: -143.103 bonds (distance) P-C4' energy: -159.367 flat angles C4'-P-C4' energy: -181.289 flat angles P-C4'-P energy: -129.004 tors. eta vs tors. theta energy: -232.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2482.058653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.058653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.058653 (E_RNA) where: Base-Base interactions energy: -1696.021 where: short stacking energy: -733.852 Base-Backbone interact. energy: 0.383 local terms energy: -786.420673 where: bonds (distance) C4'-P energy: -156.205 bonds (distance) P-C4' energy: -159.515 flat angles C4'-P-C4' energy: -175.898 flat angles P-C4'-P energy: -99.240 tors. eta vs tors. theta energy: -195.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2291.525841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.525841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.525841 (E_RNA) where: Base-Base interactions energy: -1532.084 where: short stacking energy: -672.166 Base-Backbone interact. energy: -0.893 local terms energy: -758.549041 where: bonds (distance) C4'-P energy: -155.806 bonds (distance) P-C4' energy: -143.592 flat angles C4'-P-C4' energy: -164.044 flat angles P-C4'-P energy: -110.942 tors. eta vs tors. theta energy: -184.166 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: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2129.953320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.953320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.953320 (E_RNA) where: Base-Base interactions energy: -1399.260 where: short stacking energy: -634.834 Base-Backbone interact. energy: -2.747 local terms energy: -727.946032 where: bonds (distance) C4'-P energy: -147.785 bonds (distance) P-C4' energy: -153.482 flat angles C4'-P-C4' energy: -161.285 flat angles P-C4'-P energy: -92.999 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: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1976.682526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.682526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.682526 (E_RNA) where: Base-Base interactions energy: -1307.646 where: short stacking energy: -589.002 Base-Backbone interact. energy: -2.833 local terms energy: -666.203023 where: bonds (distance) C4'-P energy: -116.560 bonds (distance) P-C4' energy: -144.153 flat angles C4'-P-C4' energy: -154.517 flat angles P-C4'-P energy: -104.484 tors. eta vs tors. theta energy: -146.488 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: 2 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1703.400028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.400028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.400028 (E_RNA) where: Base-Base interactions energy: -1080.615 where: short stacking energy: -455.566 Base-Backbone interact. energy: -0.334 local terms energy: -622.450842 where: bonds (distance) C4'-P energy: -149.113 bonds (distance) P-C4' energy: -153.544 flat angles C4'-P-C4' energy: -142.672 flat angles P-C4'-P energy: -73.353 tors. eta vs tors. theta energy: -103.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1276.423407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.423407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.423407 (E_RNA) where: Base-Base interactions energy: -737.509 where: short stacking energy: -387.113 Base-Backbone interact. energy: 2.133 local terms energy: -541.047684 where: bonds (distance) C4'-P energy: -143.019 bonds (distance) P-C4' energy: -121.715 flat angles C4'-P-C4' energy: -138.433 flat angles P-C4'-P energy: -79.817 tors. eta vs tors. theta energy: -58.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -981.419848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.419848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.419848 (E_RNA) where: Base-Base interactions energy: -507.399 where: short stacking energy: -275.633 Base-Backbone interact. energy: 1.519 local terms energy: -475.539960 where: bonds (distance) C4'-P energy: -138.019 bonds (distance) P-C4' energy: -138.924 flat angles C4'-P-C4' energy: -125.938 flat angles P-C4'-P energy: -60.734 tors. eta vs tors. theta energy: -11.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -803.918218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.918218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.918218 (E_RNA) where: Base-Base interactions energy: -404.203 where: short stacking energy: -236.490 Base-Backbone interact. energy: 4.531 local terms energy: -404.245716 where: bonds (distance) C4'-P energy: -114.261 bonds (distance) P-C4' energy: -108.104 flat angles C4'-P-C4' energy: -120.629 flat angles P-C4'-P energy: -70.000 tors. eta vs tors. theta energy: 8.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2734.880746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.880746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.880746 (E_RNA) where: Base-Base interactions energy: -1891.059 where: short stacking energy: -723.150 Base-Backbone interact. energy: -2.912 local terms energy: -840.910342 where: bonds (distance) C4'-P energy: -173.113 bonds (distance) P-C4' energy: -163.539 flat angles C4'-P-C4' energy: -170.797 flat angles P-C4'-P energy: -122.028 tors. eta vs tors. theta energy: -211.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2617.317877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.317877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.317877 (E_RNA) where: Base-Base interactions energy: -1763.783 where: short stacking energy: -761.011 Base-Backbone interact. energy: -0.498 local terms energy: -853.036736 where: bonds (distance) C4'-P energy: -152.747 bonds (distance) P-C4' energy: -162.517 flat angles C4'-P-C4' energy: -192.512 flat angles P-C4'-P energy: -122.998 tors. eta vs tors. theta energy: -222.262 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: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2486.814032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.814032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.814032 (E_RNA) where: Base-Base interactions energy: -1672.960 where: short stacking energy: -767.172 Base-Backbone interact. energy: -0.911 local terms energy: -812.943142 where: bonds (distance) C4'-P energy: -137.161 bonds (distance) P-C4' energy: -170.597 flat angles C4'-P-C4' energy: -180.641 flat angles P-C4'-P energy: -120.612 tors. eta vs tors. theta energy: -203.933 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: 10 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2337.594016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.594016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.594016 (E_RNA) where: Base-Base interactions energy: -1571.455 where: short stacking energy: -667.214 Base-Backbone interact. energy: -2.941 local terms energy: -763.197844 where: bonds (distance) C4'-P energy: -137.775 bonds (distance) P-C4' energy: -151.094 flat angles C4'-P-C4' energy: -163.904 flat angles P-C4'-P energy: -124.465 tors. eta vs tors. theta energy: -185.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2068.340910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.340910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.340910 (E_RNA) where: Base-Base interactions energy: -1344.271 where: short stacking energy: -616.536 Base-Backbone interact. energy: -0.764 local terms energy: -723.306059 where: bonds (distance) C4'-P energy: -139.655 bonds (distance) P-C4' energy: -138.545 flat angles C4'-P-C4' energy: -168.895 flat angles P-C4'-P energy: -111.320 tors. eta vs tors. theta energy: -164.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2027.265478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.265478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.265478 (E_RNA) where: Base-Base interactions energy: -1336.875 where: short stacking energy: -561.212 Base-Backbone interact. energy: 0.651 local terms energy: -691.041925 where: bonds (distance) C4'-P energy: -147.692 bonds (distance) P-C4' energy: -149.460 flat angles C4'-P-C4' energy: -155.355 flat angles P-C4'-P energy: -108.529 tors. eta vs tors. theta energy: -130.006 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: 2 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1717.013886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.013886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.013886 (E_RNA) where: Base-Base interactions energy: -1085.924 where: short stacking energy: -492.832 Base-Backbone interact. energy: -1.707 local terms energy: -629.383373 where: bonds (distance) C4'-P energy: -144.146 bonds (distance) P-C4' energy: -155.880 flat angles C4'-P-C4' energy: -123.626 flat angles P-C4'-P energy: -101.121 tors. eta vs tors. theta energy: -104.611 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: 106 Temperature: 1.250000 Total energy: -1206.373397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.373397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.373397 (E_RNA) where: Base-Base interactions energy: -703.877 where: short stacking energy: -359.767 Base-Backbone interact. energy: -2.291 local terms energy: -500.205337 where: bonds (distance) C4'-P energy: -123.981 bonds (distance) P-C4' energy: -141.677 flat angles C4'-P-C4' energy: -122.365 flat angles P-C4'-P energy: -69.566 tors. eta vs tors. theta energy: -42.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -968.365826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.365826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.365826 (E_RNA) where: Base-Base interactions energy: -529.460 where: short stacking energy: -286.637 Base-Backbone interact. energy: 4.842 local terms energy: -443.747021 where: bonds (distance) C4'-P energy: -136.905 bonds (distance) P-C4' energy: -134.223 flat angles C4'-P-C4' energy: -119.556 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -764.493777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.493777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.493777 (E_RNA) where: Base-Base interactions energy: -353.902 where: short stacking energy: -222.795 Base-Backbone interact. energy: -1.914 local terms energy: -408.677746 where: bonds (distance) C4'-P energy: -95.033 bonds (distance) P-C4' energy: -135.425 flat angles C4'-P-C4' energy: -126.252 flat angles P-C4'-P energy: -57.352 tors. eta vs tors. theta energy: 5.384 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: 1, replica: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2724.964565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.964565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.964565 (E_RNA) where: Base-Base interactions energy: -1862.602 where: short stacking energy: -742.545 Base-Backbone interact. energy: 0.248 local terms energy: -862.609993 where: bonds (distance) C4'-P energy: -169.887 bonds (distance) P-C4' energy: -181.895 flat angles C4'-P-C4' energy: -177.812 flat angles P-C4'-P energy: -111.572 tors. eta vs tors. theta energy: -221.444 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: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2622.388598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.388598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.388598 (E_RNA) where: Base-Base interactions energy: -1800.255 where: short stacking energy: -765.552 Base-Backbone interact. energy: -4.182 local terms energy: -817.951734 where: bonds (distance) C4'-P energy: -149.912 bonds (distance) P-C4' energy: -158.145 flat angles C4'-P-C4' energy: -176.462 flat angles P-C4'-P energy: -107.337 tors. eta vs tors. theta energy: -226.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2496.471305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.471305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.471305 (E_RNA) where: Base-Base interactions energy: -1711.959 where: short stacking energy: -747.686 Base-Backbone interact. energy: -3.047 local terms energy: -781.464914 where: bonds (distance) C4'-P energy: -150.515 bonds (distance) P-C4' energy: -162.433 flat angles C4'-P-C4' energy: -174.762 flat angles P-C4'-P energy: -91.113 tors. eta vs tors. theta energy: -202.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2337.894032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.894032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.894032 (E_RNA) where: Base-Base interactions energy: -1544.573 where: short stacking energy: -676.781 Base-Backbone interact. energy: -2.942 local terms energy: -790.379362 where: bonds (distance) C4'-P energy: -143.985 bonds (distance) P-C4' energy: -145.769 flat angles C4'-P-C4' energy: -189.887 flat angles P-C4'-P energy: -118.225 tors. eta vs tors. theta energy: -192.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2119.317898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.317898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.317898 (E_RNA) where: Base-Base interactions energy: -1381.172 where: short stacking energy: -635.892 Base-Backbone interact. energy: 0.081 local terms energy: -738.227463 where: bonds (distance) C4'-P energy: -147.834 bonds (distance) P-C4' energy: -143.199 flat angles C4'-P-C4' energy: -159.209 flat angles P-C4'-P energy: -115.717 tors. eta vs tors. theta energy: -172.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2063.486932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.486932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.486932 (E_RNA) where: Base-Base interactions energy: -1375.318 where: short stacking energy: -600.802 Base-Backbone interact. energy: -1.973 local terms energy: -686.196376 where: bonds (distance) C4'-P energy: -148.524 bonds (distance) P-C4' energy: -141.347 flat angles C4'-P-C4' energy: -150.899 flat angles P-C4'-P energy: -90.349 tors. eta vs tors. theta energy: -155.078 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: 2 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1723.555522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.555522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.555522 (E_RNA) where: Base-Base interactions energy: -1109.497 where: short stacking energy: -482.021 Base-Backbone interact. energy: -2.195 local terms energy: -611.862585 where: bonds (distance) C4'-P energy: -131.231 bonds (distance) P-C4' energy: -143.754 flat angles C4'-P-C4' energy: -133.118 flat angles P-C4'-P energy: -79.991 tors. eta vs tors. theta energy: -123.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1215.010065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.010065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.010065 (E_RNA) where: Base-Base interactions energy: -685.007 where: short stacking energy: -355.498 Base-Backbone interact. energy: 0.220 local terms energy: -530.222930 where: bonds (distance) C4'-P energy: -153.407 bonds (distance) P-C4' energy: -140.439 flat angles C4'-P-C4' energy: -131.439 flat angles P-C4'-P energy: -65.762 tors. eta vs tors. theta energy: -39.175 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: 9, replica: 6 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -940.995448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.995448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.995448 (E_RNA) where: Base-Base interactions energy: -463.616 where: short stacking energy: -254.959 Base-Backbone interact. energy: 3.914 local terms energy: -481.293369 where: bonds (distance) C4'-P energy: -140.353 bonds (distance) P-C4' energy: -133.498 flat angles C4'-P-C4' energy: -126.284 flat angles P-C4'-P energy: -80.282 tors. eta vs tors. theta energy: -0.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -844.042882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.042882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.042882 (E_RNA) where: Base-Base interactions energy: -427.517 where: short stacking energy: -248.745 Base-Backbone interact. energy: -2.348 local terms energy: -414.177940 where: bonds (distance) C4'-P energy: -106.911 bonds (distance) P-C4' energy: -128.360 flat angles C4'-P-C4' energy: -117.201 flat angles P-C4'-P energy: -63.979 tors. eta vs tors. theta energy: 2.273 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: 1, replica: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2709.993248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.993248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.993248 (E_RNA) where: Base-Base interactions energy: -1896.600 where: short stacking energy: -724.363 Base-Backbone interact. energy: -4.351 local terms energy: -809.042346 where: bonds (distance) C4'-P energy: -160.803 bonds (distance) P-C4' energy: -154.315 flat angles C4'-P-C4' energy: -174.524 flat angles P-C4'-P energy: -116.610 tors. eta vs tors. theta energy: -202.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2708.917266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.917266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.917266 (E_RNA) where: Base-Base interactions energy: -1861.700 where: short stacking energy: -806.122 Base-Backbone interact. energy: -3.445 local terms energy: -843.772340 where: bonds (distance) C4'-P energy: -153.454 bonds (distance) P-C4' energy: -156.757 flat angles C4'-P-C4' energy: -192.999 flat angles P-C4'-P energy: -115.495 tors. eta vs tors. theta energy: -225.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2495.304303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.304303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.304303 (E_RNA) where: Base-Base interactions energy: -1666.503 where: short stacking energy: -714.620 Base-Backbone interact. energy: -5.059 local terms energy: -823.742344 where: bonds (distance) C4'-P energy: -170.169 bonds (distance) P-C4' energy: -151.210 flat angles C4'-P-C4' energy: -179.305 flat angles P-C4'-P energy: -115.498 tors. eta vs tors. theta energy: -207.560 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: 4, replica: 10 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2358.941543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.941543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.941543 (E_RNA) where: Base-Base interactions energy: -1566.064 where: short stacking energy: -692.947 Base-Backbone interact. energy: -5.618 local terms energy: -787.259061 where: bonds (distance) C4'-P energy: -137.335 bonds (distance) P-C4' energy: -156.631 flat angles C4'-P-C4' energy: -183.263 flat angles P-C4'-P energy: -110.031 tors. eta vs tors. theta energy: -199.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2071.923722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.923722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.923722 (E_RNA) where: Base-Base interactions energy: -1335.505 where: short stacking energy: -617.654 Base-Backbone interact. energy: 0.036 local terms energy: -736.454147 where: bonds (distance) C4'-P energy: -137.364 bonds (distance) P-C4' energy: -150.760 flat angles C4'-P-C4' energy: -148.037 flat angles P-C4'-P energy: -114.475 tors. eta vs tors. theta energy: -185.819 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: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2084.087275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.087275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.087275 (E_RNA) where: Base-Base interactions energy: -1358.379 where: short stacking energy: -599.499 Base-Backbone interact. energy: -2.063 local terms energy: -723.645518 where: bonds (distance) C4'-P energy: -151.653 bonds (distance) P-C4' energy: -145.339 flat angles C4'-P-C4' energy: -167.631 flat angles P-C4'-P energy: -98.098 tors. eta vs tors. theta energy: -160.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1790.449242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.449242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.449242 (E_RNA) where: Base-Base interactions energy: -1145.389 where: short stacking energy: -558.509 Base-Backbone interact. energy: -2.381 local terms energy: -642.679742 where: bonds (distance) C4'-P energy: -114.654 bonds (distance) P-C4' energy: -140.677 flat angles C4'-P-C4' energy: -161.518 flat angles P-C4'-P energy: -96.784 tors. eta vs tors. theta energy: -129.047 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: 108 Temperature: 1.250000 Total energy: -1291.011565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.011565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.011565 (E_RNA) where: Base-Base interactions energy: -741.021 where: short stacking energy: -363.902 Base-Backbone interact. energy: -1.445 local terms energy: -548.545866 where: bonds (distance) C4'-P energy: -139.665 bonds (distance) P-C4' energy: -149.497 flat angles C4'-P-C4' energy: -113.735 flat angles P-C4'-P energy: -77.739 tors. eta vs tors. theta energy: -67.910 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: 6 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -924.660342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.660342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.660342 (E_RNA) where: Base-Base interactions energy: -460.386 where: short stacking energy: -267.705 Base-Backbone interact. energy: -2.342 local terms energy: -461.932544 where: bonds (distance) C4'-P energy: -115.264 bonds (distance) P-C4' energy: -139.778 flat angles C4'-P-C4' energy: -122.675 flat angles P-C4'-P energy: -70.344 tors. eta vs tors. theta energy: -13.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -801.766048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.766048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.766048 (E_RNA) where: Base-Base interactions energy: -420.889 where: short stacking energy: -231.719 Base-Backbone interact. energy: -1.086 local terms energy: -379.791333 where: bonds (distance) C4'-P energy: -132.823 bonds (distance) P-C4' energy: -124.762 flat angles C4'-P-C4' energy: -88.251 flat angles P-C4'-P energy: -56.290 tors. eta vs tors. theta energy: 22.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2741.706132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.706132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.706132 (E_RNA) where: Base-Base interactions energy: -1887.199 where: short stacking energy: -750.719 Base-Backbone interact. energy: -7.330 local terms energy: -847.176318 where: bonds (distance) C4'-P energy: -160.183 bonds (distance) P-C4' energy: -160.817 flat angles C4'-P-C4' energy: -184.794 flat angles P-C4'-P energy: -118.668 tors. eta vs tors. theta energy: -222.714 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: 2, replica: 7 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2669.097224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.097224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.097224 (E_RNA) where: Base-Base interactions energy: -1832.885 where: short stacking energy: -776.762 Base-Backbone interact. energy: -3.758 local terms energy: -832.454312 where: bonds (distance) C4'-P energy: -163.928 bonds (distance) P-C4' energy: -165.920 flat angles C4'-P-C4' energy: -172.163 flat angles P-C4'-P energy: -110.717 tors. eta vs tors. theta energy: -219.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2468.911440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.911440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.911440 (E_RNA) where: Base-Base interactions energy: -1672.736 where: short stacking energy: -724.752 Base-Backbone interact. energy: -2.648 local terms energy: -793.527420 where: bonds (distance) C4'-P energy: -148.498 bonds (distance) P-C4' energy: -159.708 flat angles C4'-P-C4' energy: -159.845 flat angles P-C4'-P energy: -127.354 tors. eta vs tors. theta energy: -198.123 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: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2379.914200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.914200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.914200 (E_RNA) where: Base-Base interactions energy: -1583.957 where: short stacking energy: -733.912 Base-Backbone interact. energy: -0.552 local terms energy: -795.405515 where: bonds (distance) C4'-P energy: -133.727 bonds (distance) P-C4' energy: -153.040 flat angles C4'-P-C4' energy: -182.511 flat angles P-C4'-P energy: -117.813 tors. eta vs tors. theta energy: -208.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2103.942767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.942767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.942767 (E_RNA) where: Base-Base interactions energy: -1360.392 where: short stacking energy: -625.475 Base-Backbone interact. energy: -1.707 local terms energy: -741.844489 where: bonds (distance) C4'-P energy: -144.895 bonds (distance) P-C4' energy: -157.303 flat angles C4'-P-C4' energy: -169.523 flat angles P-C4'-P energy: -93.096 tors. eta vs tors. theta energy: -177.027 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: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2096.714402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.714402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.714402 (E_RNA) where: Base-Base interactions energy: -1396.662 where: short stacking energy: -575.637 Base-Backbone interact. energy: 1.370 local terms energy: -701.421909 where: bonds (distance) C4'-P energy: -122.298 bonds (distance) P-C4' energy: -158.710 flat angles C4'-P-C4' energy: -156.171 flat angles P-C4'-P energy: -107.903 tors. eta vs tors. theta energy: -156.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1724.948341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.948341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.948341 (E_RNA) where: Base-Base interactions energy: -1087.658 where: short stacking energy: -482.543 Base-Backbone interact. energy: -3.621 local terms energy: -633.669594 where: bonds (distance) C4'-P energy: -122.972 bonds (distance) P-C4' energy: -161.516 flat angles C4'-P-C4' energy: -165.567 flat angles P-C4'-P energy: -92.234 tors. eta vs tors. theta energy: -91.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1311.961408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.961408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.961408 (E_RNA) where: Base-Base interactions energy: -789.245 where: short stacking energy: -407.511 Base-Backbone interact. energy: -1.486 local terms energy: -521.230128 where: bonds (distance) C4'-P energy: -123.340 bonds (distance) P-C4' energy: -134.081 flat angles C4'-P-C4' energy: -128.603 flat angles P-C4'-P energy: -81.850 tors. eta vs tors. theta energy: -53.356 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: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -902.274118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.274118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.274118 (E_RNA) where: Base-Base interactions energy: -464.302 where: short stacking energy: -238.736 Base-Backbone interact. energy: 0.130 local terms energy: -438.101898 where: bonds (distance) C4'-P energy: -123.560 bonds (distance) P-C4' energy: -140.418 flat angles C4'-P-C4' energy: -104.924 flat angles P-C4'-P energy: -74.707 tors. eta vs tors. theta energy: 5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -789.688922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.688922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.688922 (E_RNA) where: Base-Base interactions energy: -350.623 where: short stacking energy: -198.272 Base-Backbone interact. energy: -0.976 local terms energy: -438.090455 where: bonds (distance) C4'-P energy: -156.208 bonds (distance) P-C4' energy: -144.682 flat angles C4'-P-C4' energy: -104.895 flat angles P-C4'-P energy: -55.359 tors. eta vs tors. theta energy: 23.054 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: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2692.901644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.901644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.901644 (E_RNA) where: Base-Base interactions energy: -1876.957 where: short stacking energy: -744.696 Base-Backbone interact. energy: -4.728 local terms energy: -811.216857 where: bonds (distance) C4'-P energy: -143.738 bonds (distance) P-C4' energy: -161.338 flat angles C4'-P-C4' energy: -175.068 flat angles P-C4'-P energy: -119.849 tors. eta vs tors. theta energy: -211.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2668.261901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.261901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.261901 (E_RNA) where: Base-Base interactions energy: -1842.499 where: short stacking energy: -745.179 Base-Backbone interact. energy: -2.267 local terms energy: -823.495111 where: bonds (distance) C4'-P energy: -159.755 bonds (distance) P-C4' energy: -151.972 flat angles C4'-P-C4' energy: -179.851 flat angles P-C4'-P energy: -114.121 tors. eta vs tors. theta energy: -217.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2458.040960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.040960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.040960 (E_RNA) where: Base-Base interactions energy: -1642.479 where: short stacking energy: -731.136 Base-Backbone interact. energy: -3.367 local terms energy: -812.195227 where: bonds (distance) C4'-P energy: -143.514 bonds (distance) P-C4' energy: -163.633 flat angles C4'-P-C4' energy: -180.487 flat angles P-C4'-P energy: -114.279 tors. eta vs tors. theta energy: -210.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2392.315481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.315481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.315481 (E_RNA) where: Base-Base interactions energy: -1586.822 where: short stacking energy: -707.879 Base-Backbone interact. energy: 0.641 local terms energy: -806.135056 where: bonds (distance) C4'-P energy: -150.953 bonds (distance) P-C4' energy: -162.957 flat angles C4'-P-C4' energy: -178.386 flat angles P-C4'-P energy: -108.884 tors. eta vs tors. theta energy: -204.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2170.443643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.443643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.443643 (E_RNA) where: Base-Base interactions energy: -1447.892 where: short stacking energy: -619.083 Base-Backbone interact. energy: -1.650 local terms energy: -720.901315 where: bonds (distance) C4'-P energy: -145.883 bonds (distance) P-C4' energy: -148.859 flat angles C4'-P-C4' energy: -169.918 flat angles P-C4'-P energy: -87.768 tors. eta vs tors. theta energy: -168.472 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: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1890.333900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.333900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.333900 (E_RNA) where: Base-Base interactions energy: -1208.413 where: short stacking energy: -542.884 Base-Backbone interact. energy: -1.236 local terms energy: -680.685350 where: bonds (distance) C4'-P energy: -135.503 bonds (distance) P-C4' energy: -134.967 flat angles C4'-P-C4' energy: -166.732 flat angles P-C4'-P energy: -99.678 tors. eta vs tors. theta energy: -143.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1713.958045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.958045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.958045 (E_RNA) where: Base-Base interactions energy: -1061.413 where: short stacking energy: -451.487 Base-Backbone interact. energy: 1.777 local terms energy: -654.322594 where: bonds (distance) C4'-P energy: -158.620 bonds (distance) P-C4' energy: -147.189 flat angles C4'-P-C4' energy: -159.197 flat angles P-C4'-P energy: -93.540 tors. eta vs tors. theta energy: -95.776 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: 4 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1277.783110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.783110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.783110 (E_RNA) where: Base-Base interactions energy: -743.309 where: short stacking energy: -383.192 Base-Backbone interact. energy: -1.814 local terms energy: -532.660227 where: bonds (distance) C4'-P energy: -144.812 bonds (distance) P-C4' energy: -134.073 flat angles C4'-P-C4' energy: -122.934 flat angles P-C4'-P energy: -77.271 tors. eta vs tors. theta energy: -53.571 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: 9, replica: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -935.351731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.351731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.351731 (E_RNA) where: Base-Base interactions energy: -463.244 where: short stacking energy: -270.545 Base-Backbone interact. energy: 3.104 local terms energy: -475.212352 where: bonds (distance) C4'-P energy: -133.408 bonds (distance) P-C4' energy: -141.290 flat angles C4'-P-C4' energy: -113.037 flat angles P-C4'-P energy: -62.457 tors. eta vs tors. theta energy: -25.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -813.578656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.578656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.578656 (E_RNA) where: Base-Base interactions energy: -379.312 where: short stacking energy: -211.529 Base-Backbone interact. energy: 5.172 local terms energy: -439.438606 where: bonds (distance) C4'-P energy: -139.226 bonds (distance) P-C4' energy: -161.089 flat angles C4'-P-C4' energy: -88.495 flat angles P-C4'-P energy: -70.381 tors. eta vs tors. theta energy: 19.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2652.781510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.781510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.781510 (E_RNA) where: Base-Base interactions energy: -1848.333 where: short stacking energy: -740.982 Base-Backbone interact. energy: -6.653 local terms energy: -797.795488 where: bonds (distance) C4'-P energy: -162.578 bonds (distance) P-C4' energy: -169.674 flat angles C4'-P-C4' energy: -171.292 flat angles P-C4'-P energy: -93.604 tors. eta vs tors. theta energy: -200.648 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: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2658.123810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.123810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.123810 (E_RNA) where: Base-Base interactions energy: -1781.917 where: short stacking energy: -769.603 Base-Backbone interact. energy: -5.884 local terms energy: -870.322773 where: bonds (distance) C4'-P energy: -165.111 bonds (distance) P-C4' energy: -174.709 flat angles C4'-P-C4' energy: -186.014 flat angles P-C4'-P energy: -119.689 tors. eta vs tors. theta energy: -224.799 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: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2507.322962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.322962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.322962 (E_RNA) where: Base-Base interactions energy: -1701.855 where: short stacking energy: -729.352 Base-Backbone interact. energy: 0.103 local terms energy: -805.571182 where: bonds (distance) C4'-P energy: -143.846 bonds (distance) P-C4' energy: -167.737 flat angles C4'-P-C4' energy: -180.018 flat angles P-C4'-P energy: -123.475 tors. eta vs tors. theta energy: -190.495 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: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2374.326407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.326407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.326407 (E_RNA) where: Base-Base interactions energy: -1574.607 where: short stacking energy: -702.628 Base-Backbone interact. energy: -1.151 local terms energy: -798.568040 where: bonds (distance) C4'-P energy: -144.993 bonds (distance) P-C4' energy: -151.368 flat angles C4'-P-C4' energy: -184.054 flat angles P-C4'-P energy: -116.405 tors. eta vs tors. theta energy: -201.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2233.798743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.798743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.798743 (E_RNA) where: Base-Base interactions energy: -1485.860 where: short stacking energy: -645.884 Base-Backbone interact. energy: -0.070 local terms energy: -747.868836 where: bonds (distance) C4'-P energy: -135.244 bonds (distance) P-C4' energy: -157.534 flat angles C4'-P-C4' energy: -179.261 flat angles P-C4'-P energy: -98.292 tors. eta vs tors. theta energy: -177.537 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: 6, replica: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1885.938507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.938507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.938507 (E_RNA) where: Base-Base interactions energy: -1219.698 where: short stacking energy: -536.241 Base-Backbone interact. energy: 1.038 local terms energy: -667.278857 where: bonds (distance) C4'-P energy: -153.960 bonds (distance) P-C4' energy: -135.232 flat angles C4'-P-C4' energy: -149.637 flat angles P-C4'-P energy: -88.844 tors. eta vs tors. theta energy: -139.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1732.284440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.284440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.284440 (E_RNA) where: Base-Base interactions energy: -1101.170 where: short stacking energy: -499.536 Base-Backbone interact. energy: -2.827 local terms energy: -628.287881 where: bonds (distance) C4'-P energy: -155.321 bonds (distance) P-C4' energy: -113.249 flat angles C4'-P-C4' energy: -154.125 flat angles P-C4'-P energy: -92.443 tors. eta vs tors. theta energy: -113.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1256.749933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.749933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.749933 (E_RNA) where: Base-Base interactions energy: -740.741 where: short stacking energy: -357.958 Base-Backbone interact. energy: 4.114 local terms energy: -520.123104 where: bonds (distance) C4'-P energy: -124.122 bonds (distance) P-C4' energy: -150.988 flat angles C4'-P-C4' energy: -126.931 flat angles P-C4'-P energy: -78.602 tors. eta vs tors. theta energy: -39.480 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: 9, replica: 6 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -962.805675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.805675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.805675 (E_RNA) where: Base-Base interactions energy: -490.632 where: short stacking energy: -272.520 Base-Backbone interact. energy: -0.330 local terms energy: -471.844175 where: bonds (distance) C4'-P energy: -136.956 bonds (distance) P-C4' energy: -130.240 flat angles C4'-P-C4' energy: -109.324 flat angles P-C4'-P energy: -74.935 tors. eta vs tors. theta energy: -20.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -801.582388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.582388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.582388 (E_RNA) where: Base-Base interactions energy: -361.254 where: short stacking energy: -209.760 Base-Backbone interact. energy: -1.521 local terms energy: -438.807308 where: bonds (distance) C4'-P energy: -130.113 bonds (distance) P-C4' energy: -127.956 flat angles C4'-P-C4' energy: -126.034 flat angles P-C4'-P energy: -61.921 tors. eta vs tors. theta energy: 7.216 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: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2756.827679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.827679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.827679 (E_RNA) where: Base-Base interactions energy: -1873.936 where: short stacking energy: -790.496 Base-Backbone interact. energy: -5.292 local terms energy: -877.599815 where: bonds (distance) C4'-P energy: -161.502 bonds (distance) P-C4' energy: -171.288 flat angles C4'-P-C4' energy: -185.598 flat angles P-C4'-P energy: -114.613 tors. eta vs tors. theta energy: -244.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2615.241558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.241558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.241558 (E_RNA) where: Base-Base interactions energy: -1790.301 where: short stacking energy: -737.682 Base-Backbone interact. energy: -5.725 local terms energy: -819.216040 where: bonds (distance) C4'-P energy: -162.694 bonds (distance) P-C4' energy: -154.625 flat angles C4'-P-C4' energy: -182.432 flat angles P-C4'-P energy: -129.052 tors. eta vs tors. theta energy: -190.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2471.864197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.864197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.864197 (E_RNA) where: Base-Base interactions energy: -1687.175 where: short stacking energy: -722.503 Base-Backbone interact. energy: -6.525 local terms energy: -778.163332 where: bonds (distance) C4'-P energy: -127.068 bonds (distance) P-C4' energy: -149.380 flat angles C4'-P-C4' energy: -167.771 flat angles P-C4'-P energy: -127.663 tors. eta vs tors. theta energy: -206.281 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: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2408.948826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.948826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.948826 (E_RNA) where: Base-Base interactions energy: -1616.633 where: short stacking energy: -691.878 Base-Backbone interact. energy: -3.025 local terms energy: -789.290632 where: bonds (distance) C4'-P energy: -146.139 bonds (distance) P-C4' energy: -159.839 flat angles C4'-P-C4' energy: -179.432 flat angles P-C4'-P energy: -101.251 tors. eta vs tors. theta energy: -202.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2248.014954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.014954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.014954 (E_RNA) where: Base-Base interactions energy: -1530.164 where: short stacking energy: -647.012 Base-Backbone interact. energy: -4.805 local terms energy: -713.046059 where: bonds (distance) C4'-P energy: -147.151 bonds (distance) P-C4' energy: -154.456 flat angles C4'-P-C4' energy: -161.801 flat angles P-C4'-P energy: -75.381 tors. eta vs tors. theta energy: -174.257 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: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1873.687655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.687655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.687655 (E_RNA) where: Base-Base interactions energy: -1206.449 where: short stacking energy: -520.485 Base-Backbone interact. energy: -1.948 local terms energy: -665.290635 where: bonds (distance) C4'-P energy: -141.962 bonds (distance) P-C4' energy: -154.905 flat angles C4'-P-C4' energy: -149.651 flat angles P-C4'-P energy: -90.470 tors. eta vs tors. theta energy: -128.303 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: 2 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1666.336297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.336297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.336297 (E_RNA) where: Base-Base interactions energy: -1073.687 where: short stacking energy: -476.925 Base-Backbone interact. energy: 0.952 local terms energy: -593.601819 where: bonds (distance) C4'-P energy: -123.066 bonds (distance) P-C4' energy: -130.311 flat angles C4'-P-C4' energy: -140.481 flat angles P-C4'-P energy: -102.014 tors. eta vs tors. theta energy: -97.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1139.843112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.843112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.843112 (E_RNA) where: Base-Base interactions energy: -620.143 where: short stacking energy: -303.599 Base-Backbone interact. energy: -0.542 local terms energy: -519.158176 where: bonds (distance) C4'-P energy: -162.075 bonds (distance) P-C4' energy: -123.333 flat angles C4'-P-C4' energy: -123.861 flat angles P-C4'-P energy: -79.280 tors. eta vs tors. theta energy: -30.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -943.121941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.121941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.121941 (E_RNA) where: Base-Base interactions energy: -480.254 where: short stacking energy: -249.561 Base-Backbone interact. energy: 2.522 local terms energy: -465.389968 where: bonds (distance) C4'-P energy: -141.036 bonds (distance) P-C4' energy: -128.243 flat angles C4'-P-C4' energy: -108.446 flat angles P-C4'-P energy: -85.818 tors. eta vs tors. theta energy: -1.847 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: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -887.389261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.389261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.389261 (E_RNA) where: Base-Base interactions energy: -417.117 where: short stacking energy: -246.569 Base-Backbone interact. energy: -1.225 local terms energy: -469.046641 where: bonds (distance) C4'-P energy: -119.552 bonds (distance) P-C4' energy: -132.207 flat angles C4'-P-C4' energy: -120.106 flat angles P-C4'-P energy: -80.709 tors. eta vs tors. theta energy: -16.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2732.614583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.614583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.614583 (E_RNA) where: Base-Base interactions energy: -1859.213 where: short stacking energy: -784.179 Base-Backbone interact. energy: -3.811 local terms energy: -869.591275 where: bonds (distance) C4'-P energy: -174.622 bonds (distance) P-C4' energy: -158.506 flat angles C4'-P-C4' energy: -200.061 flat angles P-C4'-P energy: -113.586 tors. eta vs tors. theta energy: -222.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2532.015246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.015246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.015246 (E_RNA) where: Base-Base interactions energy: -1708.697 where: short stacking energy: -706.492 Base-Backbone interact. energy: -0.959 local terms energy: -822.358983 where: bonds (distance) C4'-P energy: -152.385 bonds (distance) P-C4' energy: -180.807 flat angles C4'-P-C4' energy: -170.386 flat angles P-C4'-P energy: -106.511 tors. eta vs tors. theta energy: -212.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2513.218414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.218414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.218414 (E_RNA) where: Base-Base interactions energy: -1714.023 where: short stacking energy: -736.484 Base-Backbone interact. energy: -3.872 local terms energy: -795.323001 where: bonds (distance) C4'-P energy: -140.259 bonds (distance) P-C4' energy: -157.976 flat angles C4'-P-C4' energy: -177.850 flat angles P-C4'-P energy: -112.947 tors. eta vs tors. theta energy: -206.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2426.226436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.226436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.226436 (E_RNA) where: Base-Base interactions energy: -1657.079 where: short stacking energy: -704.410 Base-Backbone interact. energy: -1.600 local terms energy: -767.547078 where: bonds (distance) C4'-P energy: -144.644 bonds (distance) P-C4' energy: -145.408 flat angles C4'-P-C4' energy: -161.760 flat angles P-C4'-P energy: -117.076 tors. eta vs tors. theta energy: -198.658 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: 1 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2287.948301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.948301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.948301 (E_RNA) where: Base-Base interactions energy: -1538.488 where: short stacking energy: -618.618 Base-Backbone interact. energy: -3.979 local terms energy: -745.481062 where: bonds (distance) C4'-P energy: -153.199 bonds (distance) P-C4' energy: -147.739 flat angles C4'-P-C4' energy: -171.545 flat angles P-C4'-P energy: -98.830 tors. eta vs tors. theta energy: -174.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1886.218491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.218491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.218491 (E_RNA) where: Base-Base interactions energy: -1210.350 where: short stacking energy: -577.354 Base-Backbone interact. energy: -3.427 local terms energy: -672.441119 where: bonds (distance) C4'-P energy: -144.632 bonds (distance) P-C4' energy: -142.389 flat angles C4'-P-C4' energy: -146.825 flat angles P-C4'-P energy: -100.286 tors. eta vs tors. theta energy: -138.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1709.843443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.843443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.843443 (E_RNA) where: Base-Base interactions energy: -1094.939 where: short stacking energy: -471.991 Base-Backbone interact. energy: -0.940 local terms energy: -613.964328 where: bonds (distance) C4'-P energy: -121.441 bonds (distance) P-C4' energy: -153.550 flat angles C4'-P-C4' energy: -132.454 flat angles P-C4'-P energy: -85.882 tors. eta vs tors. theta energy: -120.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1151.197406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.197406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.197406 (E_RNA) where: Base-Base interactions energy: -641.268 where: short stacking energy: -284.047 Base-Backbone interact. energy: -1.812 local terms energy: -508.117971 where: bonds (distance) C4'-P energy: -146.110 bonds (distance) P-C4' energy: -144.188 flat angles C4'-P-C4' energy: -115.371 flat angles P-C4'-P energy: -78.118 tors. eta vs tors. theta energy: -24.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -904.621652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.621652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.621652 (E_RNA) where: Base-Base interactions energy: -478.100 where: short stacking energy: -265.763 Base-Backbone interact. energy: 6.724 local terms energy: -433.245223 where: bonds (distance) C4'-P energy: -137.216 bonds (distance) P-C4' energy: -138.109 flat angles C4'-P-C4' energy: -121.221 flat angles P-C4'-P energy: -53.788 tors. eta vs tors. theta energy: 17.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -799.287343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.287343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.287343 (E_RNA) where: Base-Base interactions energy: -372.730 where: short stacking energy: -222.446 Base-Backbone interact. energy: -0.428 local terms energy: -426.129611 where: bonds (distance) C4'-P energy: -121.926 bonds (distance) P-C4' energy: -138.149 flat angles C4'-P-C4' energy: -102.385 flat angles P-C4'-P energy: -65.931 tors. eta vs tors. theta energy: 2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2726.724307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.724307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.724307 (E_RNA) where: Base-Base interactions energy: -1848.268 where: short stacking energy: -797.684 Base-Backbone interact. energy: -5.696 local terms energy: -872.761130 where: bonds (distance) C4'-P energy: -159.817 bonds (distance) P-C4' energy: -156.500 flat angles C4'-P-C4' energy: -193.376 flat angles P-C4'-P energy: -127.986 tors. eta vs tors. theta energy: -235.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2564.136571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.136571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.136571 (E_RNA) where: Base-Base interactions energy: -1745.185 where: short stacking energy: -738.682 Base-Backbone interact. energy: -2.215 local terms energy: -816.736583 where: bonds (distance) C4'-P energy: -152.647 bonds (distance) P-C4' energy: -165.824 flat angles C4'-P-C4' energy: -187.742 flat angles P-C4'-P energy: -114.452 tors. eta vs tors. theta energy: -196.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2490.165366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.165366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.165366 (E_RNA) where: Base-Base interactions energy: -1671.454 where: short stacking energy: -732.810 Base-Backbone interact. energy: -0.350 local terms energy: -818.360506 where: bonds (distance) C4'-P energy: -164.713 bonds (distance) P-C4' energy: -159.074 flat angles C4'-P-C4' energy: -175.160 flat angles P-C4'-P energy: -118.669 tors. eta vs tors. theta energy: -200.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2377.172380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.172380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.172380 (E_RNA) where: Base-Base interactions energy: -1614.134 where: short stacking energy: -700.030 Base-Backbone interact. energy: -0.597 local terms energy: -762.441556 where: bonds (distance) C4'-P energy: -152.390 bonds (distance) P-C4' energy: -145.206 flat angles C4'-P-C4' energy: -165.330 flat angles P-C4'-P energy: -106.822 tors. eta vs tors. theta energy: -192.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2351.779802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.779802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.779802 (E_RNA) where: Base-Base interactions energy: -1612.986 where: short stacking energy: -689.200 Base-Backbone interact. energy: 2.621 local terms energy: -741.415043 where: bonds (distance) C4'-P energy: -140.243 bonds (distance) P-C4' energy: -139.943 flat angles C4'-P-C4' energy: -170.622 flat angles P-C4'-P energy: -113.578 tors. eta vs tors. theta energy: -177.029 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: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1942.939123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.939123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.939123 (E_RNA) where: Base-Base interactions energy: -1259.438 where: short stacking energy: -604.833 Base-Backbone interact. energy: -3.392 local terms energy: -680.108861 where: bonds (distance) C4'-P energy: -159.400 bonds (distance) P-C4' energy: -108.816 flat angles C4'-P-C4' energy: -151.291 flat angles P-C4'-P energy: -101.773 tors. eta vs tors. theta energy: -158.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1722.498889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.498889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.498889 (E_RNA) where: Base-Base interactions energy: -1059.594 where: short stacking energy: -464.143 Base-Backbone interact. energy: -0.647 local terms energy: -662.257847 where: bonds (distance) C4'-P energy: -142.373 bonds (distance) P-C4' energy: -154.536 flat angles C4'-P-C4' energy: -167.653 flat angles P-C4'-P energy: -88.968 tors. eta vs tors. theta energy: -108.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1151.640362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.640362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.640362 (E_RNA) where: Base-Base interactions energy: -635.647 where: short stacking energy: -340.044 Base-Backbone interact. energy: -3.347 local terms energy: -512.646247 where: bonds (distance) C4'-P energy: -127.453 bonds (distance) P-C4' energy: -160.303 flat angles C4'-P-C4' energy: -129.510 flat angles P-C4'-P energy: -66.742 tors. eta vs tors. theta energy: -28.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -862.149217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.149217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.149217 (E_RNA) where: Base-Base interactions energy: -406.289 where: short stacking energy: -216.168 Base-Backbone interact. energy: -0.623 local terms energy: -455.237720 where: bonds (distance) C4'-P energy: -131.505 bonds (distance) P-C4' energy: -138.658 flat angles C4'-P-C4' energy: -116.997 flat angles P-C4'-P energy: -71.386 tors. eta vs tors. theta energy: 3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -790.530661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.530661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.530661 (E_RNA) where: Base-Base interactions energy: -370.974 where: short stacking energy: -208.508 Base-Backbone interact. energy: -1.014 local terms energy: -418.542095 where: bonds (distance) C4'-P energy: -92.406 bonds (distance) P-C4' energy: -132.771 flat angles C4'-P-C4' energy: -123.235 flat angles P-C4'-P energy: -85.243 tors. eta vs tors. theta energy: 15.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2727.392455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.392455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.392455 (E_RNA) where: Base-Base interactions energy: -1825.143 where: short stacking energy: -818.054 Base-Backbone interact. energy: 0.402 local terms energy: -902.652055 where: bonds (distance) C4'-P energy: -175.078 bonds (distance) P-C4' energy: -167.243 flat angles C4'-P-C4' energy: -192.900 flat angles P-C4'-P energy: -122.374 tors. eta vs tors. theta energy: -245.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2551.096859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.096859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.096859 (E_RNA) where: Base-Base interactions energy: -1744.046 where: short stacking energy: -733.125 Base-Backbone interact. energy: 0.199 local terms energy: -807.249758 where: bonds (distance) C4'-P energy: -160.059 bonds (distance) P-C4' energy: -157.759 flat angles C4'-P-C4' energy: -168.149 flat angles P-C4'-P energy: -105.086 tors. eta vs tors. theta energy: -216.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2546.055997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.055997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.055997 (E_RNA) where: Base-Base interactions energy: -1747.347 where: short stacking energy: -715.269 Base-Backbone interact. energy: -0.114 local terms energy: -798.595270 where: bonds (distance) C4'-P energy: -158.268 bonds (distance) P-C4' energy: -161.562 flat angles C4'-P-C4' energy: -185.109 flat angles P-C4'-P energy: -99.660 tors. eta vs tors. theta energy: -193.997 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: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2399.418501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.418501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.418501 (E_RNA) where: Base-Base interactions energy: -1601.049 where: short stacking energy: -690.512 Base-Backbone interact. energy: -0.236 local terms energy: -798.133948 where: bonds (distance) C4'-P energy: -145.515 bonds (distance) P-C4' energy: -157.116 flat angles C4'-P-C4' energy: -174.422 flat angles P-C4'-P energy: -117.955 tors. eta vs tors. theta energy: -203.126 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: 5, replica: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2317.298816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.298816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.298816 (E_RNA) where: Base-Base interactions energy: -1561.067 where: short stacking energy: -667.193 Base-Backbone interact. energy: 2.477 local terms energy: -758.709067 where: bonds (distance) C4'-P energy: -140.782 bonds (distance) P-C4' energy: -151.645 flat angles C4'-P-C4' energy: -182.283 flat angles P-C4'-P energy: -106.430 tors. eta vs tors. theta energy: -177.569 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: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1986.514614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.514614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.514614 (E_RNA) where: Base-Base interactions energy: -1306.150 where: short stacking energy: -600.339 Base-Backbone interact. energy: -1.820 local terms energy: -678.544789 where: bonds (distance) C4'-P energy: -147.771 bonds (distance) P-C4' energy: -139.781 flat angles C4'-P-C4' energy: -153.303 flat angles P-C4'-P energy: -90.225 tors. eta vs tors. theta energy: -147.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1726.573368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.573368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.573368 (E_RNA) where: Base-Base interactions energy: -1134.875 where: short stacking energy: -497.096 Base-Backbone interact. energy: -2.720 local terms energy: -588.978610 where: bonds (distance) C4'-P energy: -117.703 bonds (distance) P-C4' energy: -138.415 flat angles C4'-P-C4' energy: -140.944 flat angles P-C4'-P energy: -87.419 tors. eta vs tors. theta energy: -104.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1188.541610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.541610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.541610 (E_RNA) where: Base-Base interactions energy: -648.549 where: short stacking energy: -337.543 Base-Backbone interact. energy: -1.346 local terms energy: -538.646934 where: bonds (distance) C4'-P energy: -129.145 bonds (distance) P-C4' energy: -140.311 flat angles C4'-P-C4' energy: -127.910 flat angles P-C4'-P energy: -91.447 tors. eta vs tors. theta energy: -49.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -855.393510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.393510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.393510 (E_RNA) where: Base-Base interactions energy: -435.977 where: short stacking energy: -280.202 Base-Backbone interact. energy: -2.069 local terms energy: -417.347936 where: bonds (distance) C4'-P energy: -111.586 bonds (distance) P-C4' energy: -124.435 flat angles C4'-P-C4' energy: -116.466 flat angles P-C4'-P energy: -57.556 tors. eta vs tors. theta energy: -7.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -918.880641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.880641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.880641 (E_RNA) where: Base-Base interactions energy: -493.670 where: short stacking energy: -257.746 Base-Backbone interact. energy: -3.559 local terms energy: -421.651307 where: bonds (distance) C4'-P energy: -117.615 bonds (distance) P-C4' energy: -121.541 flat angles C4'-P-C4' energy: -130.507 flat angles P-C4'-P energy: -67.961 tors. eta vs tors. theta energy: 15.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2726.830000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.830000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.830000 (E_RNA) where: Base-Base interactions energy: -1846.896 where: short stacking energy: -827.078 Base-Backbone interact. energy: -2.503 local terms energy: -877.431328 where: bonds (distance) C4'-P energy: -157.586 bonds (distance) P-C4' energy: -174.030 flat angles C4'-P-C4' energy: -181.102 flat angles P-C4'-P energy: -120.235 tors. eta vs tors. theta energy: -244.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2588.433934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.433934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.433934 (E_RNA) where: Base-Base interactions energy: -1759.285 where: short stacking energy: -725.006 Base-Backbone interact. energy: -4.578 local terms energy: -824.571616 where: bonds (distance) C4'-P energy: -164.658 bonds (distance) P-C4' energy: -156.386 flat angles C4'-P-C4' energy: -190.993 flat angles P-C4'-P energy: -113.810 tors. eta vs tors. theta energy: -198.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2504.362603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.362603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.362603 (E_RNA) where: Base-Base interactions energy: -1696.705 where: short stacking energy: -720.584 Base-Backbone interact. energy: 0.879 local terms energy: -808.536523 where: bonds (distance) C4'-P energy: -162.188 bonds (distance) P-C4' energy: -156.211 flat angles C4'-P-C4' energy: -162.291 flat angles P-C4'-P energy: -124.590 tors. eta vs tors. theta energy: -203.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2415.959337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.959337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.959337 (E_RNA) where: Base-Base interactions energy: -1630.835 where: short stacking energy: -698.891 Base-Backbone interact. energy: -2.424 local terms energy: -782.700217 where: bonds (distance) C4'-P energy: -166.025 bonds (distance) P-C4' energy: -146.442 flat angles C4'-P-C4' energy: -180.714 flat angles P-C4'-P energy: -90.773 tors. eta vs tors. theta energy: -198.746 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: 1 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2356.843135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.843135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.843135 (E_RNA) where: Base-Base interactions energy: -1577.813 where: short stacking energy: -678.180 Base-Backbone interact. energy: -1.056 local terms energy: -777.973955 where: bonds (distance) C4'-P energy: -145.381 bonds (distance) P-C4' energy: -150.673 flat angles C4'-P-C4' energy: -167.045 flat angles P-C4'-P energy: -108.719 tors. eta vs tors. theta energy: -206.155 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: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1950.407673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.407673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.407673 (E_RNA) where: Base-Base interactions energy: -1287.955 where: short stacking energy: -569.968 Base-Backbone interact. energy: -2.644 local terms energy: -659.808389 where: bonds (distance) C4'-P energy: -122.091 bonds (distance) P-C4' energy: -146.950 flat angles C4'-P-C4' energy: -158.774 flat angles P-C4'-P energy: -85.987 tors. eta vs tors. theta energy: -146.006 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: 2 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1823.482579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.482579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.482579 (E_RNA) where: Base-Base interactions energy: -1170.139 where: short stacking energy: -535.153 Base-Backbone interact. energy: 0.082 local terms energy: -653.426124 where: bonds (distance) C4'-P energy: -142.878 bonds (distance) P-C4' energy: -168.906 flat angles C4'-P-C4' energy: -140.152 flat angles P-C4'-P energy: -85.887 tors. eta vs tors. theta energy: -115.604 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: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1176.514783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.514783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.514783 (E_RNA) where: Base-Base interactions energy: -656.892 where: short stacking energy: -327.679 Base-Backbone interact. energy: -0.584 local terms energy: -519.038495 where: bonds (distance) C4'-P energy: -136.318 bonds (distance) P-C4' energy: -150.082 flat angles C4'-P-C4' energy: -132.076 flat angles P-C4'-P energy: -68.490 tors. eta vs tors. theta energy: -32.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -944.601551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.601551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.601551 (E_RNA) where: Base-Base interactions energy: -479.072 where: short stacking energy: -249.798 Base-Backbone interact. energy: -2.761 local terms energy: -462.768758 where: bonds (distance) C4'-P energy: -130.504 bonds (distance) P-C4' energy: -141.946 flat angles C4'-P-C4' energy: -120.548 flat angles P-C4'-P energy: -69.055 tors. eta vs tors. theta energy: -0.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -775.464040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.464040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.464040 (E_RNA) where: Base-Base interactions energy: -379.649 where: short stacking energy: -223.259 Base-Backbone interact. energy: 3.597 local terms energy: -399.411767 where: bonds (distance) C4'-P energy: -118.093 bonds (distance) P-C4' energy: -136.266 flat angles C4'-P-C4' energy: -105.630 flat angles P-C4'-P energy: -50.445 tors. eta vs tors. theta energy: 11.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2751.661844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.661844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.661844 (E_RNA) where: Base-Base interactions energy: -1896.382 where: short stacking energy: -837.353 Base-Backbone interact. energy: -4.411 local terms energy: -850.869129 where: bonds (distance) C4'-P energy: -139.978 bonds (distance) P-C4' energy: -169.300 flat angles C4'-P-C4' energy: -190.057 flat angles P-C4'-P energy: -115.423 tors. eta vs tors. theta energy: -236.112 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: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2628.456771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.456771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.456771 (E_RNA) where: Base-Base interactions energy: -1782.554 where: short stacking energy: -781.785 Base-Backbone interact. energy: -4.741 local terms energy: -841.161925 where: bonds (distance) C4'-P energy: -174.948 bonds (distance) P-C4' energy: -161.228 flat angles C4'-P-C4' energy: -177.704 flat angles P-C4'-P energy: -112.801 tors. eta vs tors. theta energy: -214.481 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: 3, replica: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2513.669309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.669309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.669309 (E_RNA) where: Base-Base interactions energy: -1711.328 where: short stacking energy: -711.455 Base-Backbone interact. energy: -5.787 local terms energy: -796.553740 where: bonds (distance) C4'-P energy: -148.496 bonds (distance) P-C4' energy: -156.386 flat angles C4'-P-C4' energy: -185.133 flat angles P-C4'-P energy: -102.433 tors. eta vs tors. theta energy: -204.107 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: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2382.880679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.880679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.880679 (E_RNA) where: Base-Base interactions energy: -1612.147 where: short stacking energy: -678.851 Base-Backbone interact. energy: -4.086 local terms energy: -766.647183 where: bonds (distance) C4'-P energy: -147.977 bonds (distance) P-C4' energy: -163.412 flat angles C4'-P-C4' energy: -160.950 flat angles P-C4'-P energy: -112.855 tors. eta vs tors. theta energy: -181.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2323.485357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.485357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.485357 (E_RNA) where: Base-Base interactions energy: -1549.334 where: short stacking energy: -691.492 Base-Backbone interact. energy: 5.195 local terms energy: -779.346789 where: bonds (distance) C4'-P energy: -131.719 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -180.487 flat angles P-C4'-P energy: -122.249 tors. eta vs tors. theta energy: -185.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1967.600108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.600108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.600108 (E_RNA) where: Base-Base interactions energy: -1270.405 where: short stacking energy: -540.500 Base-Backbone interact. energy: 1.165 local terms energy: -698.360056 where: bonds (distance) C4'-P energy: -130.855 bonds (distance) P-C4' energy: -150.891 flat angles C4'-P-C4' energy: -153.405 flat angles P-C4'-P energy: -104.839 tors. eta vs tors. theta energy: -158.370 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: 7, replica: 2 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1742.769409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.769409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.769409 (E_RNA) where: Base-Base interactions energy: -1132.289 where: short stacking energy: -497.300 Base-Backbone interact. energy: 0.924 local terms energy: -611.404262 where: bonds (distance) C4'-P energy: -124.109 bonds (distance) P-C4' energy: -147.489 flat angles C4'-P-C4' energy: -146.141 flat angles P-C4'-P energy: -77.481 tors. eta vs tors. theta energy: -116.184 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: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1142.783223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.783223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.783223 (E_RNA) where: Base-Base interactions energy: -623.567 where: short stacking energy: -325.157 Base-Backbone interact. energy: 2.516 local terms energy: -521.732308 where: bonds (distance) C4'-P energy: -144.968 bonds (distance) P-C4' energy: -121.893 flat angles C4'-P-C4' energy: -132.797 flat angles P-C4'-P energy: -94.949 tors. eta vs tors. theta energy: -27.125 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: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1007.546849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.546849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.546849 (E_RNA) where: Base-Base interactions energy: -509.801 where: short stacking energy: -286.240 Base-Backbone interact. energy: 0.410 local terms energy: -498.155518 where: bonds (distance) C4'-P energy: -134.977 bonds (distance) P-C4' energy: -130.888 flat angles C4'-P-C4' energy: -132.721 flat angles P-C4'-P energy: -85.966 tors. eta vs tors. theta energy: -13.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -788.665497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.665497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.665497 (E_RNA) where: Base-Base interactions energy: -371.154 where: short stacking energy: -208.297 Base-Backbone interact. energy: 6.473 local terms energy: -423.984234 where: bonds (distance) C4'-P energy: -121.094 bonds (distance) P-C4' energy: -121.742 flat angles C4'-P-C4' energy: -115.171 flat angles P-C4'-P energy: -71.075 tors. eta vs tors. theta energy: 5.097 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: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2720.606859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.606859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.606859 (E_RNA) where: Base-Base interactions energy: -1849.401 where: short stacking energy: -805.880 Base-Backbone interact. energy: -1.527 local terms energy: -869.679349 where: bonds (distance) C4'-P energy: -164.845 bonds (distance) P-C4' energy: -164.075 flat angles C4'-P-C4' energy: -187.343 flat angles P-C4'-P energy: -124.454 tors. eta vs tors. theta energy: -228.963 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: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2634.751927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.751927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.751927 (E_RNA) where: Base-Base interactions energy: -1768.476 where: short stacking energy: -795.688 Base-Backbone interact. energy: -1.742 local terms energy: -864.533506 where: bonds (distance) C4'-P energy: -154.856 bonds (distance) P-C4' energy: -179.143 flat angles C4'-P-C4' energy: -184.249 flat angles P-C4'-P energy: -119.232 tors. eta vs tors. theta energy: -227.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2501.087154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.087154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.087154 (E_RNA) where: Base-Base interactions energy: -1717.126 where: short stacking energy: -693.006 Base-Backbone interact. energy: -0.478 local terms energy: -783.482885 where: bonds (distance) C4'-P energy: -151.693 bonds (distance) P-C4' energy: -154.678 flat angles C4'-P-C4' energy: -180.664 flat angles P-C4'-P energy: -103.162 tors. eta vs tors. theta energy: -193.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2377.701551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.701551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.701551 (E_RNA) where: Base-Base interactions energy: -1580.520 where: short stacking energy: -690.480 Base-Backbone interact. energy: -4.502 local terms energy: -792.679589 where: bonds (distance) C4'-P energy: -156.866 bonds (distance) P-C4' energy: -143.263 flat angles C4'-P-C4' energy: -183.100 flat angles P-C4'-P energy: -110.879 tors. eta vs tors. theta energy: -198.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2293.466540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.466540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.466540 (E_RNA) where: Base-Base interactions energy: -1524.437 where: short stacking energy: -662.272 Base-Backbone interact. energy: -1.154 local terms energy: -767.875523 where: bonds (distance) C4'-P energy: -150.744 bonds (distance) P-C4' energy: -137.038 flat angles C4'-P-C4' energy: -188.236 flat angles P-C4'-P energy: -107.744 tors. eta vs tors. theta energy: -184.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1900.289013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.289013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.289013 (E_RNA) where: Base-Base interactions energy: -1231.164 where: short stacking energy: -543.513 Base-Backbone interact. energy: 1.251 local terms energy: -670.376382 where: bonds (distance) C4'-P energy: -139.740 bonds (distance) P-C4' energy: -150.658 flat angles C4'-P-C4' energy: -153.148 flat angles P-C4'-P energy: -98.956 tors. eta vs tors. theta energy: -127.874 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: 2 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1715.691791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.691791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.691791 (E_RNA) where: Base-Base interactions energy: -1067.856 where: short stacking energy: -465.996 Base-Backbone interact. energy: -2.235 local terms energy: -645.600989 where: bonds (distance) C4'-P energy: -164.074 bonds (distance) P-C4' energy: -152.934 flat angles C4'-P-C4' energy: -139.595 flat angles P-C4'-P energy: -95.733 tors. eta vs tors. theta energy: -93.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1224.828573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.828573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.828573 (E_RNA) where: Base-Base interactions energy: -675.815 where: short stacking energy: -318.844 Base-Backbone interact. energy: 0.852 local terms energy: -549.865505 where: bonds (distance) C4'-P energy: -154.200 bonds (distance) P-C4' energy: -148.643 flat angles C4'-P-C4' energy: -137.743 flat angles P-C4'-P energy: -84.398 tors. eta vs tors. theta energy: -24.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1018.053750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.053750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.053750 (E_RNA) where: Base-Base interactions energy: -561.976 where: short stacking energy: -303.182 Base-Backbone interact. energy: 4.321 local terms energy: -460.398347 where: bonds (distance) C4'-P energy: -116.914 bonds (distance) P-C4' energy: -124.223 flat angles C4'-P-C4' energy: -109.288 flat angles P-C4'-P energy: -94.706 tors. eta vs tors. theta energy: -15.267 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: 10, replica: 6 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -794.860060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.860060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.860060 (E_RNA) where: Base-Base interactions energy: -359.636 where: short stacking energy: -207.927 Base-Backbone interact. energy: -1.165 local terms energy: -434.059142 where: bonds (distance) C4'-P energy: -147.532 bonds (distance) P-C4' energy: -125.355 flat angles C4'-P-C4' energy: -106.482 flat angles P-C4'-P energy: -74.899 tors. eta vs tors. theta energy: 20.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2751.103295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.103295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.103295 (E_RNA) where: Base-Base interactions energy: -1867.005 where: short stacking energy: -792.003 Base-Backbone interact. energy: -3.711 local terms energy: -880.387212 where: bonds (distance) C4'-P energy: -167.019 bonds (distance) P-C4' energy: -175.526 flat angles C4'-P-C4' energy: -182.861 flat angles P-C4'-P energy: -125.122 tors. eta vs tors. theta energy: -229.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2590.796788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.796788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.796788 (E_RNA) where: Base-Base interactions energy: -1751.251 where: short stacking energy: -740.189 Base-Backbone interact. energy: -3.010 local terms energy: -836.535705 where: bonds (distance) C4'-P energy: -167.777 bonds (distance) P-C4' energy: -155.558 flat angles C4'-P-C4' energy: -183.101 flat angles P-C4'-P energy: -115.494 tors. eta vs tors. theta energy: -214.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2440.093140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.093140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.093140 (E_RNA) where: Base-Base interactions energy: -1686.396 where: short stacking energy: -689.469 Base-Backbone interact. energy: -6.979 local terms energy: -746.717926 where: bonds (distance) C4'-P energy: -147.282 bonds (distance) P-C4' energy: -133.192 flat angles C4'-P-C4' energy: -160.752 flat angles P-C4'-P energy: -105.305 tors. eta vs tors. theta energy: -200.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2370.389405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.389405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.389405 (E_RNA) where: Base-Base interactions energy: -1581.697 where: short stacking energy: -680.378 Base-Backbone interact. energy: -4.141 local terms energy: -784.551473 where: bonds (distance) C4'-P energy: -136.626 bonds (distance) P-C4' energy: -167.080 flat angles C4'-P-C4' energy: -174.629 flat angles P-C4'-P energy: -102.688 tors. eta vs tors. theta energy: -203.528 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: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2324.447629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.447629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.447629 (E_RNA) where: Base-Base interactions energy: -1573.397 where: short stacking energy: -680.061 Base-Backbone interact. energy: 0.728 local terms energy: -751.778477 where: bonds (distance) C4'-P energy: -144.786 bonds (distance) P-C4' energy: -161.187 flat angles C4'-P-C4' energy: -171.515 flat angles P-C4'-P energy: -104.809 tors. eta vs tors. theta energy: -169.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1934.862412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.862412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.862412 (E_RNA) where: Base-Base interactions energy: -1223.748 where: short stacking energy: -572.734 Base-Backbone interact. energy: -3.639 local terms energy: -707.475996 where: bonds (distance) C4'-P energy: -131.643 bonds (distance) P-C4' energy: -156.902 flat angles C4'-P-C4' energy: -171.063 flat angles P-C4'-P energy: -111.205 tors. eta vs tors. theta energy: -136.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1820.688258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.688258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.688258 (E_RNA) where: Base-Base interactions energy: -1202.875 where: short stacking energy: -515.405 Base-Backbone interact. energy: -1.773 local terms energy: -616.040163 where: bonds (distance) C4'-P energy: -136.393 bonds (distance) P-C4' energy: -129.515 flat angles C4'-P-C4' energy: -147.552 flat angles P-C4'-P energy: -83.415 tors. eta vs tors. theta energy: -119.166 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: 4 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1234.827664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.827664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.827664 (E_RNA) where: Base-Base interactions energy: -661.378 where: short stacking energy: -337.371 Base-Backbone interact. energy: 0.069 local terms energy: -573.519628 where: bonds (distance) C4'-P energy: -153.952 bonds (distance) P-C4' energy: -146.417 flat angles C4'-P-C4' energy: -122.842 flat angles P-C4'-P energy: -106.068 tors. eta vs tors. theta energy: -44.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1039.326317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.326317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.326317 (E_RNA) where: Base-Base interactions energy: -545.272 where: short stacking energy: -260.189 Base-Backbone interact. energy: -2.711 local terms energy: -491.343679 where: bonds (distance) C4'-P energy: -106.725 bonds (distance) P-C4' energy: -161.001 flat angles C4'-P-C4' energy: -140.491 flat angles P-C4'-P energy: -63.245 tors. eta vs tors. theta energy: -19.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -884.273030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.273030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.273030 (E_RNA) where: Base-Base interactions energy: -402.395 where: short stacking energy: -226.531 Base-Backbone interact. energy: -3.523 local terms energy: -478.355487 where: bonds (distance) C4'-P energy: -136.851 bonds (distance) P-C4' energy: -149.383 flat angles C4'-P-C4' energy: -123.460 flat angles P-C4'-P energy: -77.211 tors. eta vs tors. theta energy: 8.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2761.442835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.442835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.442835 (E_RNA) where: Base-Base interactions energy: -1905.933 where: short stacking energy: -836.684 Base-Backbone interact. energy: -3.750 local terms energy: -851.759994 where: bonds (distance) C4'-P energy: -157.318 bonds (distance) P-C4' energy: -163.322 flat angles C4'-P-C4' energy: -175.291 flat angles P-C4'-P energy: -125.090 tors. eta vs tors. theta energy: -230.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2585.612863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.612863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.612863 (E_RNA) where: Base-Base interactions energy: -1753.172 where: short stacking energy: -747.332 Base-Backbone interact. energy: 0.215 local terms energy: -832.655245 where: bonds (distance) C4'-P energy: -155.421 bonds (distance) P-C4' energy: -165.026 flat angles C4'-P-C4' energy: -184.176 flat angles P-C4'-P energy: -127.718 tors. eta vs tors. theta energy: -200.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2462.941288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.941288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.941288 (E_RNA) where: Base-Base interactions energy: -1686.362 where: short stacking energy: -669.399 Base-Backbone interact. energy: -6.136 local terms energy: -770.443397 where: bonds (distance) C4'-P energy: -161.735 bonds (distance) P-C4' energy: -153.192 flat angles C4'-P-C4' energy: -165.585 flat angles P-C4'-P energy: -111.930 tors. eta vs tors. theta energy: -178.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2377.909787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.909787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.909787 (E_RNA) where: Base-Base interactions energy: -1598.205 where: short stacking energy: -724.477 Base-Backbone interact. energy: -0.387 local terms energy: -779.318422 where: bonds (distance) C4'-P energy: -136.084 bonds (distance) P-C4' energy: -170.057 flat angles C4'-P-C4' energy: -175.444 flat angles P-C4'-P energy: -94.635 tors. eta vs tors. theta energy: -203.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2339.814801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.814801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.814801 (E_RNA) where: Base-Base interactions energy: -1566.534 where: short stacking energy: -659.853 Base-Backbone interact. energy: 2.698 local terms energy: -775.979089 where: bonds (distance) C4'-P energy: -152.673 bonds (distance) P-C4' energy: -149.261 flat angles C4'-P-C4' energy: -168.323 flat angles P-C4'-P energy: -122.050 tors. eta vs tors. theta energy: -183.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1919.468282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.468282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.468282 (E_RNA) where: Base-Base interactions energy: -1245.610 where: short stacking energy: -551.780 Base-Backbone interact. energy: 0.916 local terms energy: -674.774404 where: bonds (distance) C4'-P energy: -140.709 bonds (distance) P-C4' energy: -133.165 flat angles C4'-P-C4' energy: -164.633 flat angles P-C4'-P energy: -90.905 tors. eta vs tors. theta energy: -145.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1854.214208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.214208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.214208 (E_RNA) where: Base-Base interactions energy: -1222.260 where: short stacking energy: -503.958 Base-Backbone interact. energy: -3.964 local terms energy: -627.989660 where: bonds (distance) C4'-P energy: -146.933 bonds (distance) P-C4' energy: -141.689 flat angles C4'-P-C4' energy: -147.665 flat angles P-C4'-P energy: -85.540 tors. eta vs tors. theta energy: -106.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1240.562717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.562717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.562717 (E_RNA) where: Base-Base interactions energy: -697.733 where: short stacking energy: -353.341 Base-Backbone interact. energy: -0.113 local terms energy: -542.716711 where: bonds (distance) C4'-P energy: -128.871 bonds (distance) P-C4' energy: -142.345 flat angles C4'-P-C4' energy: -142.626 flat angles P-C4'-P energy: -82.832 tors. eta vs tors. theta energy: -46.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1069.899362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.899362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.899362 (E_RNA) where: Base-Base interactions energy: -576.957 where: short stacking energy: -300.659 Base-Backbone interact. energy: 6.088 local terms energy: -499.029981 where: bonds (distance) C4'-P energy: -133.128 bonds (distance) P-C4' energy: -150.642 flat angles C4'-P-C4' energy: -121.861 flat angles P-C4'-P energy: -82.966 tors. eta vs tors. theta energy: -10.433 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: 6 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -845.186815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.186815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.186815 (E_RNA) where: Base-Base interactions energy: -422.981 where: short stacking energy: -222.135 Base-Backbone interact. energy: 0.826 local terms energy: -423.031688 where: bonds (distance) C4'-P energy: -136.246 bonds (distance) P-C4' energy: -140.434 flat angles C4'-P-C4' energy: -127.110 flat angles P-C4'-P energy: -50.581 tors. eta vs tors. theta energy: 31.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2784.083409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.083409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.083409 (E_RNA) where: Base-Base interactions energy: -1907.378 where: short stacking energy: -810.198 Base-Backbone interact. energy: -3.562 local terms energy: -873.142787 where: bonds (distance) C4'-P energy: -163.504 bonds (distance) P-C4' energy: -166.898 flat angles C4'-P-C4' energy: -181.826 flat angles P-C4'-P energy: -135.071 tors. eta vs tors. theta energy: -225.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2620.040988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.040988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.040988 (E_RNA) where: Base-Base interactions energy: -1767.266 where: short stacking energy: -765.426 Base-Backbone interact. energy: -4.798 local terms energy: -847.977571 where: bonds (distance) C4'-P energy: -165.568 bonds (distance) P-C4' energy: -163.686 flat angles C4'-P-C4' energy: -184.891 flat angles P-C4'-P energy: -123.686 tors. eta vs tors. theta energy: -210.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2458.905282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.905282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.905282 (E_RNA) where: Base-Base interactions energy: -1621.728 where: short stacking energy: -682.140 Base-Backbone interact. energy: -4.105 local terms energy: -833.072256 where: bonds (distance) C4'-P energy: -165.650 bonds (distance) P-C4' energy: -172.787 flat angles C4'-P-C4' energy: -179.057 flat angles P-C4'-P energy: -118.328 tors. eta vs tors. theta energy: -197.252 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: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2387.955370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.955370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.955370 (E_RNA) where: Base-Base interactions energy: -1590.740 where: short stacking energy: -688.909 Base-Backbone interact. energy: -4.549 local terms energy: -792.666575 where: bonds (distance) C4'-P energy: -166.115 bonds (distance) P-C4' energy: -148.598 flat angles C4'-P-C4' energy: -176.230 flat angles P-C4'-P energy: -102.934 tors. eta vs tors. theta energy: -198.790 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: 10 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2306.638304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.638304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.638304 (E_RNA) where: Base-Base interactions energy: -1512.495 where: short stacking energy: -654.117 Base-Backbone interact. energy: -2.020 local terms energy: -792.123396 where: bonds (distance) C4'-P energy: -164.096 bonds (distance) P-C4' energy: -158.981 flat angles C4'-P-C4' energy: -167.895 flat angles P-C4'-P energy: -110.349 tors. eta vs tors. theta energy: -190.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1847.582138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.582138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.582138 (E_RNA) where: Base-Base interactions energy: -1208.794 where: short stacking energy: -536.303 Base-Backbone interact. energy: 0.438 local terms energy: -639.225593 where: bonds (distance) C4'-P energy: -140.150 bonds (distance) P-C4' energy: -140.389 flat angles C4'-P-C4' energy: -140.656 flat angles P-C4'-P energy: -81.866 tors. eta vs tors. theta energy: -136.165 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: 7, replica: 2 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1831.606780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.606780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.606780 (E_RNA) where: Base-Base interactions energy: -1185.005 where: short stacking energy: -538.268 Base-Backbone interact. energy: -1.963 local terms energy: -644.638874 where: bonds (distance) C4'-P energy: -125.559 bonds (distance) P-C4' energy: -133.547 flat angles C4'-P-C4' energy: -148.389 flat angles P-C4'-P energy: -89.400 tors. eta vs tors. theta energy: -147.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1276.868875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.868875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.868875 (E_RNA) where: Base-Base interactions energy: -736.107 where: short stacking energy: -315.075 Base-Backbone interact. energy: -2.039 local terms energy: -538.723431 where: bonds (distance) C4'-P energy: -136.795 bonds (distance) P-C4' energy: -132.507 flat angles C4'-P-C4' energy: -130.084 flat angles P-C4'-P energy: -79.706 tors. eta vs tors. theta energy: -59.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1142.522798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.522798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.522798 (E_RNA) where: Base-Base interactions energy: -601.441 where: short stacking energy: -300.279 Base-Backbone interact. energy: 0.796 local terms energy: -541.878689 where: bonds (distance) C4'-P energy: -136.333 bonds (distance) P-C4' energy: -155.848 flat angles C4'-P-C4' energy: -140.536 flat angles P-C4'-P energy: -79.536 tors. eta vs tors. theta energy: -29.627 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: 6 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -762.694496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.694496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.694496 (E_RNA) where: Base-Base interactions energy: -326.295 where: short stacking energy: -226.521 Base-Backbone interact. energy: 9.569 local terms energy: -445.969080 where: bonds (distance) C4'-P energy: -128.684 bonds (distance) P-C4' energy: -143.100 flat angles C4'-P-C4' energy: -132.171 flat angles P-C4'-P energy: -63.982 tors. eta vs tors. theta energy: 21.968 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: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2767.117472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.117472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.117472 (E_RNA) where: Base-Base interactions energy: -1892.303 where: short stacking energy: -785.682 Base-Backbone interact. energy: -6.447 local terms energy: -868.367530 where: bonds (distance) C4'-P energy: -169.051 bonds (distance) P-C4' energy: -152.754 flat angles C4'-P-C4' energy: -186.828 flat angles P-C4'-P energy: -128.808 tors. eta vs tors. theta energy: -230.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2600.116549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.116549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.116549 (E_RNA) where: Base-Base interactions energy: -1770.057 where: short stacking energy: -712.050 Base-Backbone interact. energy: -1.476 local terms energy: -828.583804 where: bonds (distance) C4'-P energy: -155.122 bonds (distance) P-C4' energy: -167.310 flat angles C4'-P-C4' energy: -181.114 flat angles P-C4'-P energy: -118.987 tors. eta vs tors. theta energy: -206.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2478.161696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.161696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.161696 (E_RNA) where: Base-Base interactions energy: -1690.493 where: short stacking energy: -704.060 Base-Backbone interact. energy: 0.740 local terms energy: -788.409357 where: bonds (distance) C4'-P energy: -164.285 bonds (distance) P-C4' energy: -136.203 flat angles C4'-P-C4' energy: -184.959 flat angles P-C4'-P energy: -104.762 tors. eta vs tors. theta energy: -198.201 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: 1 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2406.576758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.576758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.576758 (E_RNA) where: Base-Base interactions energy: -1633.333 where: short stacking energy: -686.471 Base-Backbone interact. energy: -1.852 local terms energy: -771.391273 where: bonds (distance) C4'-P energy: -148.599 bonds (distance) P-C4' energy: -133.963 flat angles C4'-P-C4' energy: -176.054 flat angles P-C4'-P energy: -112.394 tors. eta vs tors. theta energy: -200.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2298.231255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.231255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.231255 (E_RNA) where: Base-Base interactions energy: -1558.376 where: short stacking energy: -652.239 Base-Backbone interact. energy: -2.847 local terms energy: -737.008537 where: bonds (distance) C4'-P energy: -129.451 bonds (distance) P-C4' energy: -145.957 flat angles C4'-P-C4' energy: -178.742 flat angles P-C4'-P energy: -104.520 tors. eta vs tors. theta energy: -178.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1861.028928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.028928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.028928 (E_RNA) where: Base-Base interactions energy: -1188.978 where: short stacking energy: -524.114 Base-Backbone interact. energy: 0.037 local terms energy: -672.088182 where: bonds (distance) C4'-P energy: -125.068 bonds (distance) P-C4' energy: -168.517 flat angles C4'-P-C4' energy: -153.357 flat angles P-C4'-P energy: -89.659 tors. eta vs tors. theta energy: -135.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1799.803180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.803180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.803180 (E_RNA) where: Base-Base interactions energy: -1187.558 where: short stacking energy: -510.525 Base-Backbone interact. energy: -1.814 local terms energy: -610.431436 where: bonds (distance) C4'-P energy: -128.494 bonds (distance) P-C4' energy: -138.585 flat angles C4'-P-C4' energy: -138.270 flat angles P-C4'-P energy: -86.991 tors. eta vs tors. theta energy: -118.092 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: 4 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1299.102929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.102929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.102929 (E_RNA) where: Base-Base interactions energy: -773.541 where: short stacking energy: -382.505 Base-Backbone interact. energy: -0.182 local terms energy: -525.380135 where: bonds (distance) C4'-P energy: -111.373 bonds (distance) P-C4' energy: -151.140 flat angles C4'-P-C4' energy: -134.966 flat angles P-C4'-P energy: -77.625 tors. eta vs tors. theta energy: -50.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1050.539224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.539224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.539224 (E_RNA) where: Base-Base interactions energy: -559.466 where: short stacking energy: -296.828 Base-Backbone interact. energy: 1.535 local terms energy: -492.608405 where: bonds (distance) C4'-P energy: -137.157 bonds (distance) P-C4' energy: -161.102 flat angles C4'-P-C4' energy: -112.248 flat angles P-C4'-P energy: -64.850 tors. eta vs tors. theta energy: -17.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -819.121031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.121031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.121031 (E_RNA) where: Base-Base interactions energy: -393.809 where: short stacking energy: -222.692 Base-Backbone interact. energy: -1.381 local terms energy: -423.931436 where: bonds (distance) C4'-P energy: -115.986 bonds (distance) P-C4' energy: -144.277 flat angles C4'-P-C4' energy: -123.474 flat angles P-C4'-P energy: -50.318 tors. eta vs tors. theta energy: 10.124 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: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2751.231861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.231861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.231861 (E_RNA) where: Base-Base interactions energy: -1901.707 where: short stacking energy: -782.940 Base-Backbone interact. energy: -0.152 local terms energy: -849.372131 where: bonds (distance) C4'-P energy: -156.757 bonds (distance) P-C4' energy: -163.616 flat angles C4'-P-C4' energy: -177.560 flat angles P-C4'-P energy: -126.737 tors. eta vs tors. theta energy: -224.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2608.480862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.480862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.480862 (E_RNA) where: Base-Base interactions energy: -1752.251 where: short stacking energy: -766.752 Base-Backbone interact. energy: -3.615 local terms energy: -852.613970 where: bonds (distance) C4'-P energy: -148.684 bonds (distance) P-C4' energy: -168.534 flat angles C4'-P-C4' energy: -193.462 flat angles P-C4'-P energy: -111.065 tors. eta vs tors. theta energy: -230.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2482.539451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.539451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.539451 (E_RNA) where: Base-Base interactions energy: -1688.454 where: short stacking energy: -690.704 Base-Backbone interact. energy: 2.789 local terms energy: -796.875151 where: bonds (distance) C4'-P energy: -142.099 bonds (distance) P-C4' energy: -153.107 flat angles C4'-P-C4' energy: -174.421 flat angles P-C4'-P energy: -118.334 tors. eta vs tors. theta energy: -208.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2410.902409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.902409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.902409 (E_RNA) where: Base-Base interactions energy: -1645.333 where: short stacking energy: -712.038 Base-Backbone interact. energy: -0.354 local terms energy: -765.215969 where: bonds (distance) C4'-P energy: -143.092 bonds (distance) P-C4' energy: -137.196 flat angles C4'-P-C4' energy: -168.679 flat angles P-C4'-P energy: -121.112 tors. eta vs tors. theta energy: -195.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2295.602082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.602082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.602082 (E_RNA) where: Base-Base interactions energy: -1534.926 where: short stacking energy: -670.555 Base-Backbone interact. energy: -0.468 local terms energy: -760.208967 where: bonds (distance) C4'-P energy: -147.766 bonds (distance) P-C4' energy: -158.941 flat angles C4'-P-C4' energy: -167.158 flat angles P-C4'-P energy: -110.130 tors. eta vs tors. theta energy: -176.214 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: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1945.948239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.948239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.948239 (E_RNA) where: Base-Base interactions energy: -1271.050 where: short stacking energy: -567.316 Base-Backbone interact. energy: -1.885 local terms energy: -673.012889 where: bonds (distance) C4'-P energy: -126.473 bonds (distance) P-C4' energy: -143.340 flat angles C4'-P-C4' energy: -149.989 flat angles P-C4'-P energy: -100.809 tors. eta vs tors. theta energy: -152.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1816.018007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.018007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.018007 (E_RNA) where: Base-Base interactions energy: -1152.347 where: short stacking energy: -488.715 Base-Backbone interact. energy: -1.120 local terms energy: -662.551199 where: bonds (distance) C4'-P energy: -140.690 bonds (distance) P-C4' energy: -150.584 flat angles C4'-P-C4' energy: -154.762 flat angles P-C4'-P energy: -95.635 tors. eta vs tors. theta energy: -120.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1329.681227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.681227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.681227 (E_RNA) where: Base-Base interactions energy: -806.251 where: short stacking energy: -393.767 Base-Backbone interact. energy: 0.860 local terms energy: -524.290773 where: bonds (distance) C4'-P energy: -125.800 bonds (distance) P-C4' energy: -153.393 flat angles C4'-P-C4' energy: -127.360 flat angles P-C4'-P energy: -58.553 tors. eta vs tors. theta energy: -59.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1099.593460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.593460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.593460 (E_RNA) where: Base-Base interactions energy: -602.728 where: short stacking energy: -301.089 Base-Backbone interact. energy: 6.545 local terms energy: -503.410137 where: bonds (distance) C4'-P energy: -128.199 bonds (distance) P-C4' energy: -141.833 flat angles C4'-P-C4' energy: -106.480 flat angles P-C4'-P energy: -94.315 tors. eta vs tors. theta energy: -32.583 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: 6 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -785.089531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.089531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.089531 (E_RNA) where: Base-Base interactions energy: -392.005 where: short stacking energy: -227.520 Base-Backbone interact. energy: 3.645 local terms energy: -396.729049 where: bonds (distance) C4'-P energy: -117.247 bonds (distance) P-C4' energy: -122.648 flat angles C4'-P-C4' energy: -125.731 flat angles P-C4'-P energy: -55.371 tors. eta vs tors. theta energy: 24.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2774.058033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.058033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.058033 (E_RNA) where: Base-Base interactions energy: -1893.577 where: short stacking energy: -805.787 Base-Backbone interact. energy: 1.038 local terms energy: -881.518543 where: bonds (distance) C4'-P energy: -170.465 bonds (distance) P-C4' energy: -162.417 flat angles C4'-P-C4' energy: -181.593 flat angles P-C4'-P energy: -126.777 tors. eta vs tors. theta energy: -240.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2607.501930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.501930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.501930 (E_RNA) where: Base-Base interactions energy: -1773.926 where: short stacking energy: -760.685 Base-Backbone interact. energy: -4.572 local terms energy: -829.004667 where: bonds (distance) C4'-P energy: -162.329 bonds (distance) P-C4' energy: -166.834 flat angles C4'-P-C4' energy: -174.484 flat angles P-C4'-P energy: -114.567 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: 3, replica: 8 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2547.261369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.261369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.261369 (E_RNA) where: Base-Base interactions energy: -1711.819 where: short stacking energy: -739.519 Base-Backbone interact. energy: -2.840 local terms energy: -832.602196 where: bonds (distance) C4'-P energy: -147.828 bonds (distance) P-C4' energy: -174.995 flat angles C4'-P-C4' energy: -182.330 flat angles P-C4'-P energy: -115.336 tors. eta vs tors. theta energy: -212.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2456.726037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.726037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.726037 (E_RNA) where: Base-Base interactions energy: -1618.811 where: short stacking energy: -722.009 Base-Backbone interact. energy: -6.494 local terms energy: -831.421347 where: bonds (distance) C4'-P energy: -139.334 bonds (distance) P-C4' energy: -173.829 flat angles C4'-P-C4' energy: -173.886 flat angles P-C4'-P energy: -126.114 tors. eta vs tors. theta energy: -218.259 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: 5, replica: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2293.362946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.362946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.362946 (E_RNA) where: Base-Base interactions energy: -1566.649 where: short stacking energy: -654.351 Base-Backbone interact. energy: -1.402 local terms energy: -725.311582 where: bonds (distance) C4'-P energy: -150.033 bonds (distance) P-C4' energy: -127.651 flat angles C4'-P-C4' energy: -163.858 flat angles P-C4'-P energy: -103.789 tors. eta vs tors. theta energy: -179.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1970.249945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.249945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.249945 (E_RNA) where: Base-Base interactions energy: -1263.181 where: short stacking energy: -567.584 Base-Backbone interact. energy: -3.875 local terms energy: -703.194389 where: bonds (distance) C4'-P energy: -146.090 bonds (distance) P-C4' energy: -139.414 flat angles C4'-P-C4' energy: -175.897 flat angles P-C4'-P energy: -101.857 tors. eta vs tors. theta energy: -139.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1760.326941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.326941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.326941 (E_RNA) where: Base-Base interactions energy: -1115.451 where: short stacking energy: -484.856 Base-Backbone interact. energy: -0.094 local terms energy: -644.782089 where: bonds (distance) C4'-P energy: -140.759 bonds (distance) P-C4' energy: -137.180 flat angles C4'-P-C4' energy: -161.016 flat angles P-C4'-P energy: -94.011 tors. eta vs tors. theta energy: -111.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1413.655917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.655917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.655917 (E_RNA) where: Base-Base interactions energy: -818.541 where: short stacking energy: -410.436 Base-Backbone interact. energy: -4.707 local terms energy: -590.408446 where: bonds (distance) C4'-P energy: -134.301 bonds (distance) P-C4' energy: -140.517 flat angles C4'-P-C4' energy: -139.435 flat angles P-C4'-P energy: -97.948 tors. eta vs tors. theta energy: -78.207 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: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1108.250183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.250183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.250183 (E_RNA) where: Base-Base interactions energy: -623.539 where: short stacking energy: -310.378 Base-Backbone interact. energy: 2.132 local terms energy: -486.843337 where: bonds (distance) C4'-P energy: -127.677 bonds (distance) P-C4' energy: -144.773 flat angles C4'-P-C4' energy: -101.183 flat angles P-C4'-P energy: -92.162 tors. eta vs tors. theta energy: -21.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -812.231117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.231117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.231117 (E_RNA) where: Base-Base interactions energy: -350.913 where: short stacking energy: -230.967 Base-Backbone interact. energy: -0.828 local terms energy: -460.489927 where: bonds (distance) C4'-P energy: -135.853 bonds (distance) P-C4' energy: -138.171 flat angles C4'-P-C4' energy: -109.123 flat angles P-C4'-P energy: -75.891 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2806.410728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.410728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.410728 (E_RNA) where: Base-Base interactions energy: -1905.855 where: short stacking energy: -796.090 Base-Backbone interact. energy: 1.435 local terms energy: -901.990168 where: bonds (distance) C4'-P energy: -183.425 bonds (distance) P-C4' energy: -173.088 flat angles C4'-P-C4' energy: -189.549 flat angles P-C4'-P energy: -124.701 tors. eta vs tors. theta energy: -231.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2596.896847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.896847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.896847 (E_RNA) where: Base-Base interactions energy: -1746.890 where: short stacking energy: -755.994 Base-Backbone interact. energy: -1.083 local terms energy: -848.923731 where: bonds (distance) C4'-P energy: -160.949 bonds (distance) P-C4' energy: -175.091 flat angles C4'-P-C4' energy: -192.395 flat angles P-C4'-P energy: -121.508 tors. eta vs tors. theta energy: -198.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2475.727622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.727622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.727622 (E_RNA) where: Base-Base interactions energy: -1688.034 where: short stacking energy: -724.564 Base-Backbone interact. energy: -1.485 local terms energy: -786.207769 where: bonds (distance) C4'-P energy: -139.380 bonds (distance) P-C4' energy: -153.392 flat angles C4'-P-C4' energy: -167.559 flat angles P-C4'-P energy: -115.313 tors. eta vs tors. theta energy: -210.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2432.917165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.917165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.917165 (E_RNA) where: Base-Base interactions energy: -1620.268 where: short stacking energy: -709.979 Base-Backbone interact. energy: -0.009 local terms energy: -812.640452 where: bonds (distance) C4'-P energy: -136.512 bonds (distance) P-C4' energy: -166.630 flat angles C4'-P-C4' energy: -183.840 flat angles P-C4'-P energy: -115.774 tors. eta vs tors. theta energy: -209.885 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: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2325.730591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.730591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.730591 (E_RNA) where: Base-Base interactions energy: -1547.463 where: short stacking energy: -666.765 Base-Backbone interact. energy: -4.190 local terms energy: -774.077857 where: bonds (distance) C4'-P energy: -155.302 bonds (distance) P-C4' energy: -156.820 flat angles C4'-P-C4' energy: -163.408 flat angles P-C4'-P energy: -113.452 tors. eta vs tors. theta energy: -185.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2007.773775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.773775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.773775 (E_RNA) where: Base-Base interactions energy: -1340.282 where: short stacking energy: -602.545 Base-Backbone interact. energy: -0.363 local terms energy: -667.128162 where: bonds (distance) C4'-P energy: -134.144 bonds (distance) P-C4' energy: -134.337 flat angles C4'-P-C4' energy: -155.462 flat angles P-C4'-P energy: -92.783 tors. eta vs tors. theta energy: -150.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1749.149620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.149620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.149620 (E_RNA) where: Base-Base interactions energy: -1145.750 where: short stacking energy: -513.635 Base-Backbone interact. energy: 6.986 local terms energy: -610.386338 where: bonds (distance) C4'-P energy: -124.464 bonds (distance) P-C4' energy: -137.395 flat angles C4'-P-C4' energy: -152.037 flat angles P-C4'-P energy: -78.261 tors. eta vs tors. theta energy: -118.229 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: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1344.410086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.410086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.410086 (E_RNA) where: Base-Base interactions energy: -826.956 where: short stacking energy: -416.780 Base-Backbone interact. energy: -0.229 local terms energy: -517.225030 where: bonds (distance) C4'-P energy: -124.908 bonds (distance) P-C4' energy: -150.062 flat angles C4'-P-C4' energy: -125.496 flat angles P-C4'-P energy: -52.109 tors. eta vs tors. theta energy: -64.650 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: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1123.216826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.216826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.216826 (E_RNA) where: Base-Base interactions energy: -613.560 where: short stacking energy: -296.083 Base-Backbone interact. energy: -2.887 local terms energy: -506.770220 where: bonds (distance) C4'-P energy: -141.774 bonds (distance) P-C4' energy: -157.531 flat angles C4'-P-C4' energy: -126.004 flat angles P-C4'-P energy: -68.239 tors. eta vs tors. theta energy: -13.222 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: 6 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -781.775843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.775843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.775843 (E_RNA) where: Base-Base interactions energy: -367.809 where: short stacking energy: -203.070 Base-Backbone interact. energy: 2.870 local terms energy: -416.836711 where: bonds (distance) C4'-P energy: -134.999 bonds (distance) P-C4' energy: -160.787 flat angles C4'-P-C4' energy: -91.965 flat angles P-C4'-P energy: -58.765 tors. eta vs tors. theta energy: 29.679 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: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2806.242695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.242695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.242695 (E_RNA) where: Base-Base interactions energy: -1934.957 where: short stacking energy: -797.251 Base-Backbone interact. energy: -3.794 local terms energy: -867.491487 where: bonds (distance) C4'-P energy: -166.000 bonds (distance) P-C4' energy: -161.972 flat angles C4'-P-C4' energy: -188.772 flat angles P-C4'-P energy: -114.039 tors. eta vs tors. theta energy: -236.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2606.404776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.404776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.404776 (E_RNA) where: Base-Base interactions energy: -1747.436 where: short stacking energy: -769.289 Base-Backbone interact. energy: -3.541 local terms energy: -855.428213 where: bonds (distance) C4'-P energy: -161.574 bonds (distance) P-C4' energy: -171.130 flat angles C4'-P-C4' energy: -186.267 flat angles P-C4'-P energy: -123.276 tors. eta vs tors. theta energy: -213.181 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: 8 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2477.260688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.260688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.260688 (E_RNA) where: Base-Base interactions energy: -1704.666 where: short stacking energy: -734.294 Base-Backbone interact. energy: -3.664 local terms energy: -768.931248 where: bonds (distance) C4'-P energy: -139.009 bonds (distance) P-C4' energy: -153.356 flat angles C4'-P-C4' energy: -157.114 flat angles P-C4'-P energy: -110.537 tors. eta vs tors. theta energy: -208.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2432.574674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.574674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.574674 (E_RNA) where: Base-Base interactions energy: -1671.697 where: short stacking energy: -713.680 Base-Backbone interact. energy: -2.494 local terms energy: -758.384570 where: bonds (distance) C4'-P energy: -129.165 bonds (distance) P-C4' energy: -145.191 flat angles C4'-P-C4' energy: -175.937 flat angles P-C4'-P energy: -96.111 tors. eta vs tors. theta energy: -211.980 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: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2262.154929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.154929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.154929 (E_RNA) where: Base-Base interactions energy: -1505.046 where: short stacking energy: -652.284 Base-Backbone interact. energy: 1.550 local terms energy: -758.659134 where: bonds (distance) C4'-P energy: -151.062 bonds (distance) P-C4' energy: -160.183 flat angles C4'-P-C4' energy: -170.837 flat angles P-C4'-P energy: -101.538 tors. eta vs tors. theta energy: -175.039 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: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2000.600220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.600220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.600220 (E_RNA) where: Base-Base interactions energy: -1286.782 where: short stacking energy: -583.660 Base-Backbone interact. energy: -0.165 local terms energy: -713.653323 where: bonds (distance) C4'-P energy: -153.500 bonds (distance) P-C4' energy: -140.849 flat angles C4'-P-C4' energy: -154.323 flat angles P-C4'-P energy: -101.448 tors. eta vs tors. theta energy: -163.533 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: 2 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1781.560467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.560467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.560467 (E_RNA) where: Base-Base interactions energy: -1170.986 where: short stacking energy: -524.884 Base-Backbone interact. energy: 1.965 local terms energy: -612.539724 where: bonds (distance) C4'-P energy: -118.134 bonds (distance) P-C4' energy: -122.687 flat angles C4'-P-C4' energy: -152.868 flat angles P-C4'-P energy: -82.316 tors. eta vs tors. theta energy: -136.536 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: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1398.052602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.052602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.052602 (E_RNA) where: Base-Base interactions energy: -812.993 where: short stacking energy: -387.955 Base-Backbone interact. energy: 1.339 local terms energy: -586.398181 where: bonds (distance) C4'-P energy: -140.202 bonds (distance) P-C4' energy: -148.378 flat angles C4'-P-C4' energy: -144.952 flat angles P-C4'-P energy: -84.039 tors. eta vs tors. theta energy: -68.826 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: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1084.032208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.032208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.032208 (E_RNA) where: Base-Base interactions energy: -590.208 where: short stacking energy: -292.600 Base-Backbone interact. energy: -3.779 local terms energy: -490.045864 where: bonds (distance) C4'-P energy: -129.865 bonds (distance) P-C4' energy: -131.988 flat angles C4'-P-C4' energy: -121.506 flat angles P-C4'-P energy: -72.120 tors. eta vs tors. theta energy: -34.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -767.606017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.606017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.606017 (E_RNA) where: Base-Base interactions energy: -359.388 where: short stacking energy: -218.460 Base-Backbone interact. energy: 6.113 local terms energy: -414.330527 where: bonds (distance) C4'-P energy: -128.622 bonds (distance) P-C4' energy: -133.877 flat angles C4'-P-C4' energy: -116.398 flat angles P-C4'-P energy: -43.947 tors. eta vs tors. theta energy: 8.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2810.313943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.313943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.313943 (E_RNA) where: Base-Base interactions energy: -1924.342 where: short stacking energy: -823.218 Base-Backbone interact. energy: -1.075 local terms energy: -884.897084 where: bonds (distance) C4'-P energy: -166.605 bonds (distance) P-C4' energy: -171.302 flat angles C4'-P-C4' energy: -184.200 flat angles P-C4'-P energy: -128.860 tors. eta vs tors. theta energy: -233.931 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: 2, replica: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2549.498161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.498161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.498161 (E_RNA) where: Base-Base interactions energy: -1699.011 where: short stacking energy: -760.037 Base-Backbone interact. energy: -1.206 local terms energy: -849.281353 where: bonds (distance) C4'-P energy: -142.537 bonds (distance) P-C4' energy: -183.831 flat angles C4'-P-C4' energy: -189.209 flat angles P-C4'-P energy: -122.702 tors. eta vs tors. theta energy: -211.002 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: 8 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2495.772247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.772247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.772247 (E_RNA) where: Base-Base interactions energy: -1650.763 where: short stacking energy: -709.732 Base-Backbone interact. energy: -3.142 local terms energy: -841.867217 where: bonds (distance) C4'-P energy: -165.978 bonds (distance) P-C4' energy: -167.841 flat angles C4'-P-C4' energy: -183.401 flat angles P-C4'-P energy: -113.768 tors. eta vs tors. theta energy: -210.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2428.426123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.426123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.426123 (E_RNA) where: Base-Base interactions energy: -1635.076 where: short stacking energy: -735.808 Base-Backbone interact. energy: -3.528 local terms energy: -789.822216 where: bonds (distance) C4'-P energy: -153.457 bonds (distance) P-C4' energy: -146.910 flat angles C4'-P-C4' energy: -166.008 flat angles P-C4'-P energy: -125.015 tors. eta vs tors. theta energy: -198.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2255.447144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.447144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.447144 (E_RNA) where: Base-Base interactions energy: -1519.292 where: short stacking energy: -655.679 Base-Backbone interact. energy: 2.256 local terms energy: -738.410289 where: bonds (distance) C4'-P energy: -140.667 bonds (distance) P-C4' energy: -140.282 flat angles C4'-P-C4' energy: -165.190 flat angles P-C4'-P energy: -104.974 tors. eta vs tors. theta energy: -187.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2043.477754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.477754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.477754 (E_RNA) where: Base-Base interactions energy: -1352.605 where: short stacking energy: -613.999 Base-Backbone interact. energy: -2.281 local terms energy: -688.592204 where: bonds (distance) C4'-P energy: -127.883 bonds (distance) P-C4' energy: -156.950 flat angles C4'-P-C4' energy: -159.106 flat angles P-C4'-P energy: -100.698 tors. eta vs tors. theta energy: -143.954 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: 7, replica: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1674.422215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.422215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.422215 (E_RNA) where: Base-Base interactions energy: -1095.132 where: short stacking energy: -466.523 Base-Backbone interact. energy: -3.043 local terms energy: -576.247239 where: bonds (distance) C4'-P energy: -139.343 bonds (distance) P-C4' energy: -139.083 flat angles C4'-P-C4' energy: -131.255 flat angles P-C4'-P energy: -86.131 tors. eta vs tors. theta energy: -80.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1370.289428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.289428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.289428 (E_RNA) where: Base-Base interactions energy: -799.805 where: short stacking energy: -380.549 Base-Backbone interact. energy: 2.172 local terms energy: -572.656159 where: bonds (distance) C4'-P energy: -134.629 bonds (distance) P-C4' energy: -132.526 flat angles C4'-P-C4' energy: -151.919 flat angles P-C4'-P energy: -83.763 tors. eta vs tors. theta energy: -69.820 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: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1072.408698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.408698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.408698 (E_RNA) where: Base-Base interactions energy: -586.636 where: short stacking energy: -299.831 Base-Backbone interact. energy: -3.716 local terms energy: -482.056473 where: bonds (distance) C4'-P energy: -120.524 bonds (distance) P-C4' energy: -137.711 flat angles C4'-P-C4' energy: -126.368 flat angles P-C4'-P energy: -86.216 tors. eta vs tors. theta energy: -11.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -829.669533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.669533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.669533 (E_RNA) where: Base-Base interactions energy: -419.611 where: short stacking energy: -230.002 Base-Backbone interact. energy: 2.640 local terms energy: -412.698604 where: bonds (distance) C4'-P energy: -108.502 bonds (distance) P-C4' energy: -127.868 flat angles C4'-P-C4' energy: -125.609 flat angles P-C4'-P energy: -58.991 tors. eta vs tors. theta energy: 8.272 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: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2784.609619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.609619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.609619 (E_RNA) where: Base-Base interactions energy: -1916.015 where: short stacking energy: -819.076 Base-Backbone interact. energy: -4.581 local terms energy: -864.012840 where: bonds (distance) C4'-P energy: -160.818 bonds (distance) P-C4' energy: -156.864 flat angles C4'-P-C4' energy: -189.122 flat angles P-C4'-P energy: -127.964 tors. eta vs tors. theta energy: -229.245 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: 128 Temperature: 0.950000 Total energy: -2549.781112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.781112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.781112 (E_RNA) where: Base-Base interactions energy: -1719.152 where: short stacking energy: -747.703 Base-Backbone interact. energy: 0.469 local terms energy: -831.098148 where: bonds (distance) C4'-P energy: -177.836 bonds (distance) P-C4' energy: -158.923 flat angles C4'-P-C4' energy: -178.994 flat angles P-C4'-P energy: -112.604 tors. eta vs tors. theta energy: -202.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2542.535186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.535186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.535186 (E_RNA) where: Base-Base interactions energy: -1722.287 where: short stacking energy: -754.090 Base-Backbone interact. energy: -1.961 local terms energy: -818.287189 where: bonds (distance) C4'-P energy: -156.295 bonds (distance) P-C4' energy: -150.518 flat angles C4'-P-C4' energy: -185.659 flat angles P-C4'-P energy: -104.518 tors. eta vs tors. theta energy: -221.298 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: 8 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2354.588872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.588872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.588872 (E_RNA) where: Base-Base interactions energy: -1603.332 where: short stacking energy: -707.116 Base-Backbone interact. energy: -4.067 local terms energy: -747.190486 where: bonds (distance) C4'-P energy: -144.600 bonds (distance) P-C4' energy: -148.857 flat angles C4'-P-C4' energy: -154.428 flat angles P-C4'-P energy: -111.642 tors. eta vs tors. theta energy: -187.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2241.389954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.389954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.389954 (E_RNA) where: Base-Base interactions energy: -1520.424 where: short stacking energy: -652.992 Base-Backbone interact. energy: 1.150 local terms energy: -722.115627 where: bonds (distance) C4'-P energy: -143.921 bonds (distance) P-C4' energy: -147.098 flat angles C4'-P-C4' energy: -163.544 flat angles P-C4'-P energy: -92.638 tors. eta vs tors. theta energy: -174.915 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: 6, replica: 3 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2012.220132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.220132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.220132 (E_RNA) where: Base-Base interactions energy: -1316.123 where: short stacking energy: -576.680 Base-Backbone interact. energy: 7.957 local terms energy: -704.054503 where: bonds (distance) C4'-P energy: -129.627 bonds (distance) P-C4' energy: -160.743 flat angles C4'-P-C4' energy: -165.826 flat angles P-C4'-P energy: -97.804 tors. eta vs tors. theta energy: -150.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1665.038465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.038465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.038465 (E_RNA) where: Base-Base interactions energy: -1052.752 where: short stacking energy: -454.425 Base-Backbone interact. energy: 0.066 local terms energy: -612.352542 where: bonds (distance) C4'-P energy: -148.698 bonds (distance) P-C4' energy: -149.527 flat angles C4'-P-C4' energy: -131.124 flat angles P-C4'-P energy: -94.111 tors. eta vs tors. theta energy: -88.893 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: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1366.963417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.963417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.963417 (E_RNA) where: Base-Base interactions energy: -799.892 where: short stacking energy: -365.309 Base-Backbone interact. energy: -1.835 local terms energy: -565.236415 where: bonds (distance) C4'-P energy: -160.858 bonds (distance) P-C4' energy: -155.187 flat angles C4'-P-C4' energy: -121.550 flat angles P-C4'-P energy: -48.773 tors. eta vs tors. theta energy: -78.868 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: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1090.810816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.810816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.810816 (E_RNA) where: Base-Base interactions energy: -575.664 where: short stacking energy: -315.620 Base-Backbone interact. energy: -2.499 local terms energy: -512.648427 where: bonds (distance) C4'-P energy: -128.224 bonds (distance) P-C4' energy: -154.822 flat angles C4'-P-C4' energy: -127.816 flat angles P-C4'-P energy: -72.313 tors. eta vs tors. theta energy: -29.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -929.191240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.191240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.191240 (E_RNA) where: Base-Base interactions energy: -483.139 where: short stacking energy: -281.124 Base-Backbone interact. energy: 4.547 local terms energy: -450.599183 where: bonds (distance) C4'-P energy: -115.257 bonds (distance) P-C4' energy: -126.575 flat angles C4'-P-C4' energy: -106.206 flat angles P-C4'-P energy: -70.564 tors. eta vs tors. theta energy: -31.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2823.620730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.620730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.620730 (E_RNA) where: Base-Base interactions energy: -1945.448 where: short stacking energy: -823.617 Base-Backbone interact. energy: -1.970 local terms energy: -876.202307 where: bonds (distance) C4'-P energy: -164.400 bonds (distance) P-C4' energy: -170.596 flat angles C4'-P-C4' energy: -183.638 flat angles P-C4'-P energy: -119.174 tors. eta vs tors. theta energy: -238.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2595.425568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.425568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.425568 (E_RNA) where: Base-Base interactions energy: -1750.310 where: short stacking energy: -793.177 Base-Backbone interact. energy: -4.251 local terms energy: -840.864496 where: bonds (distance) C4'-P energy: -147.904 bonds (distance) P-C4' energy: -169.709 flat angles C4'-P-C4' energy: -179.002 flat angles P-C4'-P energy: -119.359 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: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2500.867912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.867912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.867912 (E_RNA) where: Base-Base interactions energy: -1697.296 where: short stacking energy: -744.800 Base-Backbone interact. energy: -1.787 local terms energy: -801.785712 where: bonds (distance) C4'-P energy: -151.041 bonds (distance) P-C4' energy: -150.758 flat angles C4'-P-C4' energy: -180.679 flat angles P-C4'-P energy: -122.573 tors. eta vs tors. theta energy: -196.735 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: 129 Temperature: 1.050000 Total energy: -2414.576892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.576892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.576892 (E_RNA) where: Base-Base interactions energy: -1613.812 where: short stacking energy: -695.415 Base-Backbone interact. energy: -4.721 local terms energy: -796.043844 where: bonds (distance) C4'-P energy: -150.951 bonds (distance) P-C4' energy: -157.505 flat angles C4'-P-C4' energy: -180.748 flat angles P-C4'-P energy: -96.086 tors. eta vs tors. theta energy: -210.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2285.101937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.101937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.101937 (E_RNA) where: Base-Base interactions energy: -1534.380 where: short stacking energy: -683.114 Base-Backbone interact. energy: 2.855 local terms energy: -753.576864 where: bonds (distance) C4'-P energy: -127.211 bonds (distance) P-C4' energy: -136.808 flat angles C4'-P-C4' energy: -161.630 flat angles P-C4'-P energy: -116.043 tors. eta vs tors. theta energy: -211.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1998.230938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.230938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.230938 (E_RNA) where: Base-Base interactions energy: -1321.144 where: short stacking energy: -592.726 Base-Backbone interact. energy: 1.772 local terms energy: -678.858319 where: bonds (distance) C4'-P energy: -119.717 bonds (distance) P-C4' energy: -140.675 flat angles C4'-P-C4' energy: -166.295 flat angles P-C4'-P energy: -91.631 tors. eta vs tors. theta energy: -160.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1635.968337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.968337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.968337 (E_RNA) where: Base-Base interactions energy: -1033.022 where: short stacking energy: -457.548 Base-Backbone interact. energy: 3.136 local terms energy: -606.083039 where: bonds (distance) C4'-P energy: -123.998 bonds (distance) P-C4' energy: -165.066 flat angles C4'-P-C4' energy: -142.298 flat angles P-C4'-P energy: -82.987 tors. eta vs tors. theta energy: -91.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1373.075440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.075440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.075440 (E_RNA) where: Base-Base interactions energy: -816.804 where: short stacking energy: -382.274 Base-Backbone interact. energy: -1.235 local terms energy: -555.036074 where: bonds (distance) C4'-P energy: -147.758 bonds (distance) P-C4' energy: -147.348 flat angles C4'-P-C4' energy: -132.709 flat angles P-C4'-P energy: -73.849 tors. eta vs tors. theta energy: -53.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1087.652730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.652730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.652730 (E_RNA) where: Base-Base interactions energy: -573.094 where: short stacking energy: -290.768 Base-Backbone interact. energy: -3.737 local terms energy: -510.822120 where: bonds (distance) C4'-P energy: -120.650 bonds (distance) P-C4' energy: -156.049 flat angles C4'-P-C4' energy: -124.115 flat angles P-C4'-P energy: -89.434 tors. eta vs tors. theta energy: -20.574 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: 6 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -845.549999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.549999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.549999 (E_RNA) where: Base-Base interactions energy: -437.092 where: short stacking energy: -252.935 Base-Backbone interact. energy: 13.545 local terms energy: -422.002737 where: bonds (distance) C4'-P energy: -119.291 bonds (distance) P-C4' energy: -135.607 flat angles C4'-P-C4' energy: -99.467 flat angles P-C4'-P energy: -72.250 tors. eta vs tors. theta energy: 4.613 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: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2802.800271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.800271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.800271 (E_RNA) where: Base-Base interactions energy: -1938.253 where: short stacking energy: -825.270 Base-Backbone interact. energy: 0.879 local terms energy: -865.426251 where: bonds (distance) C4'-P energy: -152.200 bonds (distance) P-C4' energy: -167.090 flat angles C4'-P-C4' energy: -189.073 flat angles P-C4'-P energy: -123.407 tors. eta vs tors. theta energy: -233.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2605.360959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.360959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.360959 (E_RNA) where: Base-Base interactions energy: -1738.657 where: short stacking energy: -764.802 Base-Backbone interact. energy: 2.130 local terms energy: -868.833363 where: bonds (distance) C4'-P energy: -148.202 bonds (distance) P-C4' energy: -168.700 flat angles C4'-P-C4' energy: -190.837 flat angles P-C4'-P energy: -137.728 tors. eta vs tors. theta energy: -223.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2512.508358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.508358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.508358 (E_RNA) where: Base-Base interactions energy: -1709.052 where: short stacking energy: -741.260 Base-Backbone interact. energy: -3.859 local terms energy: -799.597429 where: bonds (distance) C4'-P energy: -152.565 bonds (distance) P-C4' energy: -152.397 flat angles C4'-P-C4' energy: -168.153 flat angles P-C4'-P energy: -122.955 tors. eta vs tors. theta energy: -203.527 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: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2481.177431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.177431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.177431 (E_RNA) where: Base-Base interactions energy: -1693.782 where: short stacking energy: -719.109 Base-Backbone interact. energy: -3.945 local terms energy: -783.449712 where: bonds (distance) C4'-P energy: -148.122 bonds (distance) P-C4' energy: -165.360 flat angles C4'-P-C4' energy: -167.655 flat angles P-C4'-P energy: -101.015 tors. eta vs tors. theta energy: -201.298 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: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2244.343745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.343745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.343745 (E_RNA) where: Base-Base interactions energy: -1527.524 where: short stacking energy: -629.796 Base-Backbone interact. energy: 0.244 local terms energy: -717.063556 where: bonds (distance) C4'-P energy: -130.596 bonds (distance) P-C4' energy: -146.953 flat angles C4'-P-C4' energy: -166.832 flat angles P-C4'-P energy: -107.102 tors. eta vs tors. theta energy: -165.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1974.225309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.225309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.225309 (E_RNA) where: Base-Base interactions energy: -1303.702 where: short stacking energy: -554.918 Base-Backbone interact. energy: 5.349 local terms energy: -675.871888 where: bonds (distance) C4'-P energy: -133.168 bonds (distance) P-C4' energy: -135.468 flat angles C4'-P-C4' energy: -151.654 flat angles P-C4'-P energy: -112.703 tors. eta vs tors. theta energy: -142.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1755.616448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.616448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.616448 (E_RNA) where: Base-Base interactions energy: -1091.329 where: short stacking energy: -497.189 Base-Backbone interact. energy: -3.721 local terms energy: -660.566661 where: bonds (distance) C4'-P energy: -125.572 bonds (distance) P-C4' energy: -153.523 flat angles C4'-P-C4' energy: -144.303 flat angles P-C4'-P energy: -112.541 tors. eta vs tors. theta energy: -124.628 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: 8, replica: 4 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1381.873280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.873280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.873280 (E_RNA) where: Base-Base interactions energy: -866.911 where: short stacking energy: -396.580 Base-Backbone interact. energy: 0.201 local terms energy: -515.163548 where: bonds (distance) C4'-P energy: -110.740 bonds (distance) P-C4' energy: -134.884 flat angles C4'-P-C4' energy: -132.881 flat angles P-C4'-P energy: -86.539 tors. eta vs tors. theta energy: -50.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1068.715848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.715848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.715848 (E_RNA) where: Base-Base interactions energy: -573.026 where: short stacking energy: -291.095 Base-Backbone interact. energy: 1.312 local terms energy: -497.001967 where: bonds (distance) C4'-P energy: -130.316 bonds (distance) P-C4' energy: -146.165 flat angles C4'-P-C4' energy: -128.632 flat angles P-C4'-P energy: -85.374 tors. eta vs tors. theta energy: -6.515 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: 6 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -791.705211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.705211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.705211 (E_RNA) where: Base-Base interactions energy: -337.936 where: short stacking energy: -204.387 Base-Backbone interact. energy: -3.213 local terms energy: -450.556234 where: bonds (distance) C4'-P energy: -120.622 bonds (distance) P-C4' energy: -150.427 flat angles C4'-P-C4' energy: -126.596 flat angles P-C4'-P energy: -65.410 tors. eta vs tors. theta energy: 12.498 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: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2801.470578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.470578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.470578 (E_RNA) where: Base-Base interactions energy: -1914.250 where: short stacking energy: -814.447 Base-Backbone interact. energy: -2.004 local terms energy: -885.215959 where: bonds (distance) C4'-P energy: -165.324 bonds (distance) P-C4' energy: -177.614 flat angles C4'-P-C4' energy: -191.794 flat angles P-C4'-P energy: -116.052 tors. eta vs tors. theta energy: -234.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2597.900338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.900338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.900338 (E_RNA) where: Base-Base interactions energy: -1745.934 where: short stacking energy: -746.367 Base-Backbone interact. energy: -3.413 local terms energy: -848.553907 where: bonds (distance) C4'-P energy: -161.313 bonds (distance) P-C4' energy: -163.613 flat angles C4'-P-C4' energy: -183.029 flat angles P-C4'-P energy: -121.428 tors. eta vs tors. theta energy: -219.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2471.379600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.379600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.379600 (E_RNA) where: Base-Base interactions energy: -1671.501 where: short stacking energy: -720.262 Base-Backbone interact. energy: -2.706 local terms energy: -797.172476 where: bonds (distance) C4'-P energy: -159.504 bonds (distance) P-C4' energy: -158.191 flat angles C4'-P-C4' energy: -173.256 flat angles P-C4'-P energy: -109.259 tors. eta vs tors. theta energy: -196.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2388.332357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.332357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.332357 (E_RNA) where: Base-Base interactions energy: -1591.789 where: short stacking energy: -694.076 Base-Backbone interact. energy: -0.364 local terms energy: -796.179508 where: bonds (distance) C4'-P energy: -142.526 bonds (distance) P-C4' energy: -181.095 flat angles C4'-P-C4' energy: -174.677 flat angles P-C4'-P energy: -92.472 tors. eta vs tors. theta energy: -205.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2234.245235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.245235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.245235 (E_RNA) where: Base-Base interactions energy: -1521.735 where: short stacking energy: -631.683 Base-Backbone interact. energy: -3.948 local terms energy: -708.561889 where: bonds (distance) C4'-P energy: -124.726 bonds (distance) P-C4' energy: -138.721 flat angles C4'-P-C4' energy: -164.853 flat angles P-C4'-P energy: -108.211 tors. eta vs tors. theta energy: -172.051 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: 6, replica: 3 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1992.568688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.568688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.568688 (E_RNA) where: Base-Base interactions energy: -1318.537 where: short stacking energy: -602.006 Base-Backbone interact. energy: 0.182 local terms energy: -674.212847 where: bonds (distance) C4'-P energy: -124.713 bonds (distance) P-C4' energy: -160.073 flat angles C4'-P-C4' energy: -139.065 flat angles P-C4'-P energy: -89.684 tors. eta vs tors. theta energy: -160.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1731.316461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.316461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.316461 (E_RNA) where: Base-Base interactions energy: -1122.953 where: short stacking energy: -488.834 Base-Backbone interact. energy: -3.013 local terms energy: -605.350856 where: bonds (distance) C4'-P energy: -133.351 bonds (distance) P-C4' energy: -147.545 flat angles C4'-P-C4' energy: -152.275 flat angles P-C4'-P energy: -76.264 tors. eta vs tors. theta energy: -95.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1409.021032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.021032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.021032 (E_RNA) where: Base-Base interactions energy: -853.774 where: short stacking energy: -406.104 Base-Backbone interact. energy: -1.719 local terms energy: -553.527473 where: bonds (distance) C4'-P energy: -125.266 bonds (distance) P-C4' energy: -137.227 flat angles C4'-P-C4' energy: -139.611 flat angles P-C4'-P energy: -102.220 tors. eta vs tors. theta energy: -49.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1091.051819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.051819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.051819 (E_RNA) where: Base-Base interactions energy: -599.333 where: short stacking energy: -316.366 Base-Backbone interact. energy: 1.335 local terms energy: -493.053805 where: bonds (distance) C4'-P energy: -133.332 bonds (distance) P-C4' energy: -130.564 flat angles C4'-P-C4' energy: -133.951 flat angles P-C4'-P energy: -76.119 tors. eta vs tors. theta energy: -19.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -807.369041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.369041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.369041 (E_RNA) where: Base-Base interactions energy: -371.105 where: short stacking energy: -221.294 Base-Backbone interact. energy: -2.615 local terms energy: -433.649400 where: bonds (distance) C4'-P energy: -125.284 bonds (distance) P-C4' energy: -144.431 flat angles C4'-P-C4' energy: -115.099 flat angles P-C4'-P energy: -58.427 tors. eta vs tors. theta energy: 9.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2821.567264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.567264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.567264 (E_RNA) where: Base-Base interactions energy: -1957.873 where: short stacking energy: -821.367 Base-Backbone interact. energy: -0.256 local terms energy: -863.438323 where: bonds (distance) C4'-P energy: -160.791 bonds (distance) P-C4' energy: -162.524 flat angles C4'-P-C4' energy: -180.468 flat angles P-C4'-P energy: -116.665 tors. eta vs tors. theta energy: -242.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2603.707182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.707182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.707182 (E_RNA) where: Base-Base interactions energy: -1753.002 where: short stacking energy: -791.738 Base-Backbone interact. energy: -3.982 local terms energy: -846.723427 where: bonds (distance) C4'-P energy: -153.606 bonds (distance) P-C4' energy: -162.413 flat angles C4'-P-C4' energy: -180.255 flat angles P-C4'-P energy: -129.252 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: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2455.914458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.914458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.914458 (E_RNA) where: Base-Base interactions energy: -1666.120 where: short stacking energy: -710.448 Base-Backbone interact. energy: -5.582 local terms energy: -784.211850 where: bonds (distance) C4'-P energy: -151.868 bonds (distance) P-C4' energy: -144.238 flat angles C4'-P-C4' energy: -171.944 flat angles P-C4'-P energy: -112.491 tors. eta vs tors. theta energy: -203.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2374.453214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.453214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.453214 (E_RNA) where: Base-Base interactions energy: -1596.065 where: short stacking energy: -684.769 Base-Backbone interact. energy: -2.938 local terms energy: -775.450058 where: bonds (distance) C4'-P energy: -153.565 bonds (distance) P-C4' energy: -165.528 flat angles C4'-P-C4' energy: -177.883 flat angles P-C4'-P energy: -96.349 tors. eta vs tors. theta energy: -182.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2280.656690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.656690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.656690 (E_RNA) where: Base-Base interactions energy: -1535.757 where: short stacking energy: -655.218 Base-Backbone interact. energy: -1.060 local terms energy: -743.839433 where: bonds (distance) C4'-P energy: -144.274 bonds (distance) P-C4' energy: -143.557 flat angles C4'-P-C4' energy: -167.794 flat angles P-C4'-P energy: -103.729 tors. eta vs tors. theta energy: -184.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1995.068667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.068667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.068667 (E_RNA) where: Base-Base interactions energy: -1303.367 where: short stacking energy: -559.045 Base-Backbone interact. energy: -0.611 local terms energy: -691.090794 where: bonds (distance) C4'-P energy: -142.195 bonds (distance) P-C4' energy: -142.638 flat angles C4'-P-C4' energy: -162.654 flat angles P-C4'-P energy: -88.132 tors. eta vs tors. theta energy: -155.471 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: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1766.419581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.419581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.419581 (E_RNA) where: Base-Base interactions energy: -1141.641 where: short stacking energy: -489.109 Base-Backbone interact. energy: -0.097 local terms energy: -624.681739 where: bonds (distance) C4'-P energy: -144.599 bonds (distance) P-C4' energy: -168.028 flat angles C4'-P-C4' energy: -121.076 flat angles P-C4'-P energy: -94.738 tors. eta vs tors. theta energy: -96.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1404.089010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.089010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.089010 (E_RNA) where: Base-Base interactions energy: -877.122 where: short stacking energy: -428.249 Base-Backbone interact. energy: -3.211 local terms energy: -523.755763 where: bonds (distance) C4'-P energy: -120.459 bonds (distance) P-C4' energy: -134.194 flat angles C4'-P-C4' energy: -132.007 flat angles P-C4'-P energy: -73.497 tors. eta vs tors. theta energy: -63.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1016.141046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.141046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.141046 (E_RNA) where: Base-Base interactions energy: -521.429 where: short stacking energy: -271.883 Base-Backbone interact. energy: 0.714 local terms energy: -495.426082 where: bonds (distance) C4'-P energy: -135.006 bonds (distance) P-C4' energy: -128.021 flat angles C4'-P-C4' energy: -137.261 flat angles P-C4'-P energy: -88.893 tors. eta vs tors. theta energy: -6.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -800.582627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.582627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.582627 (E_RNA) where: Base-Base interactions energy: -373.477 where: short stacking energy: -212.414 Base-Backbone interact. energy: -3.590 local terms energy: -423.514747 where: bonds (distance) C4'-P energy: -121.299 bonds (distance) P-C4' energy: -146.071 flat angles C4'-P-C4' energy: -116.684 flat angles P-C4'-P energy: -58.653 tors. eta vs tors. theta energy: 19.192 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: 1, replica: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2773.090783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.090783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.090783 (E_RNA) where: Base-Base interactions energy: -1904.485 where: short stacking energy: -812.590 Base-Backbone interact. energy: -3.282 local terms energy: -865.324307 where: bonds (distance) C4'-P energy: -170.274 bonds (distance) P-C4' energy: -166.325 flat angles C4'-P-C4' energy: -186.228 flat angles P-C4'-P energy: -112.336 tors. eta vs tors. theta energy: -230.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2601.862504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.862504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.862504 (E_RNA) where: Base-Base interactions energy: -1770.994 where: short stacking energy: -791.771 Base-Backbone interact. energy: 2.148 local terms energy: -833.016804 where: bonds (distance) C4'-P energy: -142.522 bonds (distance) P-C4' energy: -150.070 flat angles C4'-P-C4' energy: -191.392 flat angles P-C4'-P energy: -118.946 tors. eta vs tors. theta energy: -230.085 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: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2455.278135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.278135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.278135 (E_RNA) where: Base-Base interactions energy: -1625.144 where: short stacking energy: -688.073 Base-Backbone interact. energy: -1.814 local terms energy: -828.320763 where: bonds (distance) C4'-P energy: -168.568 bonds (distance) P-C4' energy: -149.971 flat angles C4'-P-C4' energy: -188.275 flat angles P-C4'-P energy: -117.682 tors. eta vs tors. theta energy: -203.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2399.434822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.434822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.434822 (E_RNA) where: Base-Base interactions energy: -1604.438 where: short stacking energy: -664.941 Base-Backbone interact. energy: -0.937 local terms energy: -794.060371 where: bonds (distance) C4'-P energy: -165.722 bonds (distance) P-C4' energy: -163.665 flat angles C4'-P-C4' energy: -163.069 flat angles P-C4'-P energy: -120.980 tors. eta vs tors. theta energy: -180.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2314.753123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.753123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.753123 (E_RNA) where: Base-Base interactions energy: -1556.950 where: short stacking energy: -669.261 Base-Backbone interact. energy: -1.445 local terms energy: -756.357678 where: bonds (distance) C4'-P energy: -147.400 bonds (distance) P-C4' energy: -163.005 flat angles C4'-P-C4' energy: -153.430 flat angles P-C4'-P energy: -96.172 tors. eta vs tors. theta energy: -196.351 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: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1924.867101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.867101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.867101 (E_RNA) where: Base-Base interactions energy: -1228.942 where: short stacking energy: -535.737 Base-Backbone interact. energy: -0.989 local terms energy: -694.935884 where: bonds (distance) C4'-P energy: -133.392 bonds (distance) P-C4' energy: -170.058 flat angles C4'-P-C4' energy: -152.160 flat angles P-C4'-P energy: -100.036 tors. eta vs tors. theta energy: -139.290 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: 2 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1819.105232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.105232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.105232 (E_RNA) where: Base-Base interactions energy: -1150.036 where: short stacking energy: -491.862 Base-Backbone interact. energy: 2.965 local terms energy: -672.035161 where: bonds (distance) C4'-P energy: -136.496 bonds (distance) P-C4' energy: -158.123 flat angles C4'-P-C4' energy: -168.876 flat angles P-C4'-P energy: -101.039 tors. eta vs tors. theta energy: -107.500 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: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1418.996911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.996911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.996911 (E_RNA) where: Base-Base interactions energy: -860.663 where: short stacking energy: -386.174 Base-Backbone interact. energy: -0.822 local terms energy: -557.511730 where: bonds (distance) C4'-P energy: -117.427 bonds (distance) P-C4' energy: -152.829 flat angles C4'-P-C4' energy: -148.840 flat angles P-C4'-P energy: -71.708 tors. eta vs tors. theta energy: -66.707 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: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -997.206979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.206979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.206979 (E_RNA) where: Base-Base interactions energy: -522.162 where: short stacking energy: -308.206 Base-Backbone interact. energy: 2.801 local terms energy: -477.845621 where: bonds (distance) C4'-P energy: -122.662 bonds (distance) P-C4' energy: -134.903 flat angles C4'-P-C4' energy: -133.571 flat angles P-C4'-P energy: -52.643 tors. eta vs tors. theta energy: -34.067 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: 6 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -733.113326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.113326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.113326 (E_RNA) where: Base-Base interactions energy: -327.587 where: short stacking energy: -180.890 Base-Backbone interact. energy: -0.085 local terms energy: -405.441130 where: bonds (distance) C4'-P energy: -122.207 bonds (distance) P-C4' energy: -130.610 flat angles C4'-P-C4' energy: -115.162 flat angles P-C4'-P energy: -77.133 tors. eta vs tors. theta energy: 39.670 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: 1, replica: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2771.893384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.893384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.893384 (E_RNA) where: Base-Base interactions energy: -1897.373 where: short stacking energy: -816.617 Base-Backbone interact. energy: -4.202 local terms energy: -870.318477 where: bonds (distance) C4'-P energy: -159.456 bonds (distance) P-C4' energy: -161.601 flat angles C4'-P-C4' energy: -183.821 flat angles P-C4'-P energy: -128.691 tors. eta vs tors. theta energy: -236.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2609.226551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.226551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.226551 (E_RNA) where: Base-Base interactions energy: -1794.503 where: short stacking energy: -766.826 Base-Backbone interact. energy: 2.180 local terms energy: -816.903817 where: bonds (distance) C4'-P energy: -145.145 bonds (distance) P-C4' energy: -165.608 flat angles C4'-P-C4' energy: -161.829 flat angles P-C4'-P energy: -115.622 tors. eta vs tors. theta energy: -228.701 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: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2446.642280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.642280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.642280 (E_RNA) where: Base-Base interactions energy: -1624.731 where: short stacking energy: -706.481 Base-Backbone interact. energy: -2.629 local terms energy: -819.282466 where: bonds (distance) C4'-P energy: -161.866 bonds (distance) P-C4' energy: -179.756 flat angles C4'-P-C4' energy: -176.362 flat angles P-C4'-P energy: -104.131 tors. eta vs tors. theta energy: -197.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2358.493824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.493824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.493824 (E_RNA) where: Base-Base interactions energy: -1589.583 where: short stacking energy: -685.306 Base-Backbone interact. energy: -3.316 local terms energy: -765.594867 where: bonds (distance) C4'-P energy: -141.753 bonds (distance) P-C4' energy: -156.809 flat angles C4'-P-C4' energy: -170.670 flat angles P-C4'-P energy: -110.834 tors. eta vs tors. theta energy: -185.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2311.033393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.033393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.033393 (E_RNA) where: Base-Base interactions energy: -1563.990 where: short stacking energy: -669.877 Base-Backbone interact. energy: -0.066 local terms energy: -746.977133 where: bonds (distance) C4'-P energy: -148.134 bonds (distance) P-C4' energy: -155.516 flat angles C4'-P-C4' energy: -167.156 flat angles P-C4'-P energy: -97.983 tors. eta vs tors. theta energy: -178.189 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: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2021.846426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.846426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.846426 (E_RNA) where: Base-Base interactions energy: -1318.777 where: short stacking energy: -592.763 Base-Backbone interact. energy: -1.244 local terms energy: -701.825778 where: bonds (distance) C4'-P energy: -126.714 bonds (distance) P-C4' energy: -140.784 flat angles C4'-P-C4' energy: -173.613 flat angles P-C4'-P energy: -96.861 tors. eta vs tors. theta energy: -163.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1778.743019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.743019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.743019 (E_RNA) where: Base-Base interactions energy: -1164.282 where: short stacking energy: -505.110 Base-Backbone interact. energy: -1.262 local terms energy: -613.198313 where: bonds (distance) C4'-P energy: -138.917 bonds (distance) P-C4' energy: -142.247 flat angles C4'-P-C4' energy: -144.209 flat angles P-C4'-P energy: -75.098 tors. eta vs tors. theta energy: -112.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1407.121213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.121213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.121213 (E_RNA) where: Base-Base interactions energy: -852.076 where: short stacking energy: -409.520 Base-Backbone interact. energy: 0.570 local terms energy: -555.615418 where: bonds (distance) C4'-P energy: -143.156 bonds (distance) P-C4' energy: -132.021 flat angles C4'-P-C4' energy: -139.155 flat angles P-C4'-P energy: -64.440 tors. eta vs tors. theta energy: -76.843 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: 134 Temperature: 1.300000 Total energy: -1040.691632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.691632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.691632 (E_RNA) where: Base-Base interactions energy: -551.532 where: short stacking energy: -302.648 Base-Backbone interact. energy: 6.456 local terms energy: -495.615874 where: bonds (distance) C4'-P energy: -130.750 bonds (distance) P-C4' energy: -137.972 flat angles C4'-P-C4' energy: -131.342 flat angles P-C4'-P energy: -63.213 tors. eta vs tors. theta energy: -32.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -800.749292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.749292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.749292 (E_RNA) where: Base-Base interactions energy: -385.163 where: short stacking energy: -246.826 Base-Backbone interact. energy: 2.460 local terms energy: -418.047076 where: bonds (distance) C4'-P energy: -116.993 bonds (distance) P-C4' energy: -146.381 flat angles C4'-P-C4' energy: -102.592 flat angles P-C4'-P energy: -65.340 tors. eta vs tors. theta energy: 13.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2785.115978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.115978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.115978 (E_RNA) where: Base-Base interactions energy: -1912.419 where: short stacking energy: -837.829 Base-Backbone interact. energy: -0.235 local terms energy: -872.462441 where: bonds (distance) C4'-P energy: -180.620 bonds (distance) P-C4' energy: -154.360 flat angles C4'-P-C4' energy: -188.372 flat angles P-C4'-P energy: -112.689 tors. eta vs tors. theta energy: -236.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2651.650962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.650962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.650962 (E_RNA) where: Base-Base interactions energy: -1804.603 where: short stacking energy: -799.906 Base-Backbone interact. energy: -2.617 local terms energy: -844.431273 where: bonds (distance) C4'-P energy: -132.438 bonds (distance) P-C4' energy: -162.745 flat angles C4'-P-C4' energy: -194.391 flat angles P-C4'-P energy: -123.802 tors. eta vs tors. theta energy: -231.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2469.521800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.521800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.521800 (E_RNA) where: Base-Base interactions energy: -1669.580 where: short stacking energy: -733.736 Base-Backbone interact. energy: 2.029 local terms energy: -801.970558 where: bonds (distance) C4'-P energy: -158.846 bonds (distance) P-C4' energy: -156.368 flat angles C4'-P-C4' energy: -171.903 flat angles P-C4'-P energy: -114.922 tors. eta vs tors. theta energy: -199.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2355.929386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.929386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.929386 (E_RNA) where: Base-Base interactions energy: -1603.538 where: short stacking energy: -692.668 Base-Backbone interact. energy: -1.466 local terms energy: -750.926237 where: bonds (distance) C4'-P energy: -150.850 bonds (distance) P-C4' energy: -152.372 flat angles C4'-P-C4' energy: -157.988 flat angles P-C4'-P energy: -113.945 tors. eta vs tors. theta energy: -175.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2299.241487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.241487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.241487 (E_RNA) where: Base-Base interactions energy: -1560.756 where: short stacking energy: -665.358 Base-Backbone interact. energy: -1.486 local terms energy: -736.999151 where: bonds (distance) C4'-P energy: -142.196 bonds (distance) P-C4' energy: -147.149 flat angles C4'-P-C4' energy: -159.102 flat angles P-C4'-P energy: -90.233 tors. eta vs tors. theta energy: -198.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1990.542631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.542631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.542631 (E_RNA) where: Base-Base interactions energy: -1281.486 where: short stacking energy: -573.646 Base-Backbone interact. energy: -2.571 local terms energy: -706.485084 where: bonds (distance) C4'-P energy: -153.923 bonds (distance) P-C4' energy: -153.210 flat angles C4'-P-C4' energy: -142.270 flat angles P-C4'-P energy: -102.588 tors. eta vs tors. theta energy: -154.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1755.650777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.650777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.650777 (E_RNA) where: Base-Base interactions energy: -1138.893 where: short stacking energy: -468.072 Base-Backbone interact. energy: 1.747 local terms energy: -618.504382 where: bonds (distance) C4'-P energy: -136.305 bonds (distance) P-C4' energy: -139.326 flat angles C4'-P-C4' energy: -156.226 flat angles P-C4'-P energy: -98.299 tors. eta vs tors. theta energy: -88.348 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: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1435.248413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.248413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.248413 (E_RNA) where: Base-Base interactions energy: -892.790 where: short stacking energy: -414.030 Base-Backbone interact. energy: 6.365 local terms energy: -548.823685 where: bonds (distance) C4'-P energy: -131.847 bonds (distance) P-C4' energy: -132.619 flat angles C4'-P-C4' energy: -125.063 flat angles P-C4'-P energy: -79.201 tors. eta vs tors. theta energy: -80.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -963.334388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.334388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.334388 (E_RNA) where: Base-Base interactions energy: -500.380 where: short stacking energy: -280.727 Base-Backbone interact. energy: -3.652 local terms energy: -459.302025 where: bonds (distance) C4'-P energy: -132.832 bonds (distance) P-C4' energy: -134.532 flat angles C4'-P-C4' energy: -113.766 flat angles P-C4'-P energy: -59.497 tors. eta vs tors. theta energy: -18.675 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: 6 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -799.373567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.373567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.373567 (E_RNA) where: Base-Base interactions energy: -377.323 where: short stacking energy: -213.655 Base-Backbone interact. energy: 1.851 local terms energy: -423.901875 where: bonds (distance) C4'-P energy: -133.270 bonds (distance) P-C4' energy: -123.539 flat angles C4'-P-C4' energy: -117.261 flat angles P-C4'-P energy: -63.720 tors. eta vs tors. theta energy: 13.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2759.074825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.074825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.074825 (E_RNA) where: Base-Base interactions energy: -1898.183 where: short stacking energy: -844.651 Base-Backbone interact. energy: -5.872 local terms energy: -855.019731 where: bonds (distance) C4'-P energy: -157.717 bonds (distance) P-C4' energy: -163.499 flat angles C4'-P-C4' energy: -182.485 flat angles P-C4'-P energy: -109.256 tors. eta vs tors. theta energy: -242.062 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: 2, replica: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2652.821804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.821804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.821804 (E_RNA) where: Base-Base interactions energy: -1782.360 where: short stacking energy: -778.168 Base-Backbone interact. energy: -1.208 local terms energy: -869.253950 where: bonds (distance) C4'-P energy: -170.549 bonds (distance) P-C4' energy: -173.803 flat angles C4'-P-C4' energy: -184.188 flat angles P-C4'-P energy: -112.655 tors. eta vs tors. theta energy: -228.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2476.077623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.077623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.077623 (E_RNA) where: Base-Base interactions energy: -1697.255 where: short stacking energy: -724.036 Base-Backbone interact. energy: 0.705 local terms energy: -779.527293 where: bonds (distance) C4'-P energy: -146.609 bonds (distance) P-C4' energy: -144.613 flat angles C4'-P-C4' energy: -168.330 flat angles P-C4'-P energy: -117.768 tors. eta vs tors. theta energy: -202.206 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: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2365.017398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.017398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.017398 (E_RNA) where: Base-Base interactions energy: -1586.736 where: short stacking energy: -631.999 Base-Backbone interact. energy: -6.121 local terms energy: -772.159881 where: bonds (distance) C4'-P energy: -155.451 bonds (distance) P-C4' energy: -150.223 flat angles C4'-P-C4' energy: -174.160 flat angles P-C4'-P energy: -113.230 tors. eta vs tors. theta energy: -179.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2259.616017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.616017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.616017 (E_RNA) where: Base-Base interactions energy: -1502.629 where: short stacking energy: -668.435 Base-Backbone interact. energy: -6.045 local terms energy: -750.941733 where: bonds (distance) C4'-P energy: -140.180 bonds (distance) P-C4' energy: -160.987 flat angles C4'-P-C4' energy: -161.345 flat angles P-C4'-P energy: -101.486 tors. eta vs tors. theta energy: -186.943 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: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1958.803777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.803777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.803777 (E_RNA) where: Base-Base interactions energy: -1265.220 where: short stacking energy: -558.700 Base-Backbone interact. energy: -3.215 local terms energy: -690.369044 where: bonds (distance) C4'-P energy: -141.661 bonds (distance) P-C4' energy: -161.789 flat angles C4'-P-C4' energy: -159.793 flat angles P-C4'-P energy: -83.575 tors. eta vs tors. theta energy: -143.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1777.324596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.324596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.324596 (E_RNA) where: Base-Base interactions energy: -1148.835 where: short stacking energy: -492.159 Base-Backbone interact. energy: 5.827 local terms energy: -634.316692 where: bonds (distance) C4'-P energy: -122.953 bonds (distance) P-C4' energy: -157.652 flat angles C4'-P-C4' energy: -146.275 flat angles P-C4'-P energy: -103.259 tors. eta vs tors. theta energy: -104.178 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: 8, replica: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1436.016163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.016163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.016163 (E_RNA) where: Base-Base interactions energy: -893.423 where: short stacking energy: -428.417 Base-Backbone interact. energy: 0.839 local terms energy: -543.432064 where: bonds (distance) C4'-P energy: -130.424 bonds (distance) P-C4' energy: -124.195 flat angles C4'-P-C4' energy: -134.765 flat angles P-C4'-P energy: -87.775 tors. eta vs tors. theta energy: -66.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -967.939014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.939014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.939014 (E_RNA) where: Base-Base interactions energy: -491.325 where: short stacking energy: -254.753 Base-Backbone interact. energy: 1.630 local terms energy: -478.244229 where: bonds (distance) C4'-P energy: -123.405 bonds (distance) P-C4' energy: -150.324 flat angles C4'-P-C4' energy: -136.572 flat angles P-C4'-P energy: -77.753 tors. eta vs tors. theta energy: 9.810 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: 6 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -776.561257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.561257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.561257 (E_RNA) where: Base-Base interactions energy: -343.342 where: short stacking energy: -206.900 Base-Backbone interact. energy: 10.655 local terms energy: -443.874736 where: bonds (distance) C4'-P energy: -120.470 bonds (distance) P-C4' energy: -141.399 flat angles C4'-P-C4' energy: -110.086 flat angles P-C4'-P energy: -78.569 tors. eta vs tors. theta energy: 6.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2751.844230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.844230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.844230 (E_RNA) where: Base-Base interactions energy: -1880.753 where: short stacking energy: -806.720 Base-Backbone interact. energy: -2.662 local terms energy: -868.429909 where: bonds (distance) C4'-P energy: -160.475 bonds (distance) P-C4' energy: -171.092 flat angles C4'-P-C4' energy: -189.277 flat angles P-C4'-P energy: -115.455 tors. eta vs tors. theta energy: -232.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2677.160377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.160377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.160377 (E_RNA) where: Base-Base interactions energy: -1797.380 where: short stacking energy: -795.360 Base-Backbone interact. energy: -5.058 local terms energy: -874.722319 where: bonds (distance) C4'-P energy: -175.254 bonds (distance) P-C4' energy: -163.525 flat angles C4'-P-C4' energy: -181.292 flat angles P-C4'-P energy: -125.703 tors. eta vs tors. theta energy: -228.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2526.187831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.187831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.187831 (E_RNA) where: Base-Base interactions energy: -1709.985 where: short stacking energy: -705.779 Base-Backbone interact. energy: 1.706 local terms energy: -817.908212 where: bonds (distance) C4'-P energy: -154.466 bonds (distance) P-C4' energy: -155.144 flat angles C4'-P-C4' energy: -177.290 flat angles P-C4'-P energy: -118.089 tors. eta vs tors. theta energy: -212.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2354.030606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.030606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.030606 (E_RNA) where: Base-Base interactions energy: -1588.887 where: short stacking energy: -666.938 Base-Backbone interact. energy: -3.299 local terms energy: -761.845209 where: bonds (distance) C4'-P energy: -156.657 bonds (distance) P-C4' energy: -153.435 flat angles C4'-P-C4' energy: -172.148 flat angles P-C4'-P energy: -102.048 tors. eta vs tors. theta energy: -177.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2210.710288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.710288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.710288 (E_RNA) where: Base-Base interactions energy: -1462.482 where: short stacking energy: -613.266 Base-Backbone interact. energy: -3.761 local terms energy: -744.467018 where: bonds (distance) C4'-P energy: -141.311 bonds (distance) P-C4' energy: -163.235 flat angles C4'-P-C4' energy: -161.070 flat angles P-C4'-P energy: -106.829 tors. eta vs tors. theta energy: -172.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1991.512897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.512897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.512897 (E_RNA) where: Base-Base interactions energy: -1326.211 where: short stacking energy: -572.687 Base-Backbone interact. energy: -3.179 local terms energy: -662.123133 where: bonds (distance) C4'-P energy: -135.244 bonds (distance) P-C4' energy: -130.949 flat angles C4'-P-C4' energy: -156.222 flat angles P-C4'-P energy: -114.493 tors. eta vs tors. theta energy: -125.215 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: 2 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1906.887463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.887463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.887463 (E_RNA) where: Base-Base interactions energy: -1282.879 where: short stacking energy: -523.167 Base-Backbone interact. energy: 0.214 local terms energy: -624.222173 where: bonds (distance) C4'-P energy: -123.524 bonds (distance) P-C4' energy: -151.300 flat angles C4'-P-C4' energy: -150.394 flat angles P-C4'-P energy: -95.201 tors. eta vs tors. theta energy: -103.803 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: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1403.288904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.288904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.288904 (E_RNA) where: Base-Base interactions energy: -862.642 where: short stacking energy: -370.151 Base-Backbone interact. energy: -1.640 local terms energy: -539.007225 where: bonds (distance) C4'-P energy: -126.447 bonds (distance) P-C4' energy: -156.847 flat angles C4'-P-C4' energy: -137.136 flat angles P-C4'-P energy: -68.859 tors. eta vs tors. theta energy: -49.719 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: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -999.595144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.595144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.595144 (E_RNA) where: Base-Base interactions energy: -499.472 where: short stacking energy: -282.019 Base-Backbone interact. energy: 1.565 local terms energy: -501.688585 where: bonds (distance) C4'-P energy: -156.646 bonds (distance) P-C4' energy: -149.483 flat angles C4'-P-C4' energy: -119.958 flat angles P-C4'-P energy: -54.784 tors. eta vs tors. theta energy: -20.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -755.561153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.561153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.561153 (E_RNA) where: Base-Base interactions energy: -349.825 where: short stacking energy: -223.376 Base-Backbone interact. energy: 5.051 local terms energy: -410.787922 where: bonds (distance) C4'-P energy: -118.605 bonds (distance) P-C4' energy: -169.526 flat angles C4'-P-C4' energy: -87.337 flat angles P-C4'-P energy: -52.332 tors. eta vs tors. theta energy: 17.012 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: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2757.907321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.907321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.907321 (E_RNA) where: Base-Base interactions energy: -1897.748 where: short stacking energy: -812.971 Base-Backbone interact. energy: -2.173 local terms energy: -857.986247 where: bonds (distance) C4'-P energy: -157.574 bonds (distance) P-C4' energy: -172.105 flat angles C4'-P-C4' energy: -176.491 flat angles P-C4'-P energy: -125.389 tors. eta vs tors. theta energy: -226.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2694.387804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.387804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.387804 (E_RNA) where: Base-Base interactions energy: -1827.291 where: short stacking energy: -799.948 Base-Backbone interact. energy: -4.786 local terms energy: -862.311485 where: bonds (distance) C4'-P energy: -156.679 bonds (distance) P-C4' energy: -163.801 flat angles C4'-P-C4' energy: -178.505 flat angles P-C4'-P energy: -119.597 tors. eta vs tors. theta energy: -243.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2501.788180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.788180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.788180 (E_RNA) where: Base-Base interactions energy: -1718.488 where: short stacking energy: -726.351 Base-Backbone interact. energy: 4.175 local terms energy: -787.475217 where: bonds (distance) C4'-P energy: -159.798 bonds (distance) P-C4' energy: -159.298 flat angles C4'-P-C4' energy: -159.792 flat angles P-C4'-P energy: -106.326 tors. eta vs tors. theta energy: -202.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2340.910091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.910091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.910091 (E_RNA) where: Base-Base interactions energy: -1562.266 where: short stacking energy: -674.036 Base-Backbone interact. energy: 2.256 local terms energy: -780.900011 where: bonds (distance) C4'-P energy: -154.085 bonds (distance) P-C4' energy: -140.566 flat angles C4'-P-C4' energy: -173.465 flat angles P-C4'-P energy: -122.750 tors. eta vs tors. theta energy: -190.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2275.667581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.667581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.667581 (E_RNA) where: Base-Base interactions energy: -1545.213 where: short stacking energy: -687.196 Base-Backbone interact. energy: 0.063 local terms energy: -730.518064 where: bonds (distance) C4'-P energy: -141.315 bonds (distance) P-C4' energy: -145.819 flat angles C4'-P-C4' energy: -163.875 flat angles P-C4'-P energy: -100.078 tors. eta vs tors. theta energy: -179.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1990.784983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.784983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.784983 (E_RNA) where: Base-Base interactions energy: -1301.164 where: short stacking energy: -589.945 Base-Backbone interact. energy: -2.725 local terms energy: -686.896058 where: bonds (distance) C4'-P energy: -142.046 bonds (distance) P-C4' energy: -161.228 flat angles C4'-P-C4' energy: -163.175 flat angles P-C4'-P energy: -86.683 tors. eta vs tors. theta energy: -133.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1894.289564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.289564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.289564 (E_RNA) where: Base-Base interactions energy: -1227.946 where: short stacking energy: -522.280 Base-Backbone interact. energy: -4.064 local terms energy: -662.279439 where: bonds (distance) C4'-P energy: -156.094 bonds (distance) P-C4' energy: -149.140 flat angles C4'-P-C4' energy: -143.105 flat angles P-C4'-P energy: -90.709 tors. eta vs tors. theta energy: -123.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1415.614961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.614961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.614961 (E_RNA) where: Base-Base interactions energy: -848.551 where: short stacking energy: -406.948 Base-Backbone interact. energy: 3.787 local terms energy: -570.851506 where: bonds (distance) C4'-P energy: -146.581 bonds (distance) P-C4' energy: -146.256 flat angles C4'-P-C4' energy: -135.261 flat angles P-C4'-P energy: -72.014 tors. eta vs tors. theta energy: -70.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1044.590941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.590941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.590941 (E_RNA) where: Base-Base interactions energy: -572.718 where: short stacking energy: -307.090 Base-Backbone interact. energy: -4.081 local terms energy: -467.791955 where: bonds (distance) C4'-P energy: -129.728 bonds (distance) P-C4' energy: -135.388 flat angles C4'-P-C4' energy: -109.608 flat angles P-C4'-P energy: -77.844 tors. eta vs tors. theta energy: -15.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -722.079580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.079580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.079580 (E_RNA) where: Base-Base interactions energy: -324.943 where: short stacking energy: -207.316 Base-Backbone interact. energy: -1.986 local terms energy: -395.149990 where: bonds (distance) C4'-P energy: -122.890 bonds (distance) P-C4' energy: -137.529 flat angles C4'-P-C4' energy: -103.177 flat angles P-C4'-P energy: -36.919 tors. eta vs tors. theta energy: 5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2749.508198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.508198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.508198 (E_RNA) where: Base-Base interactions energy: -1881.511 where: short stacking energy: -783.582 Base-Backbone interact. energy: -2.878 local terms energy: -865.118823 where: bonds (distance) C4'-P energy: -140.000 bonds (distance) P-C4' energy: -165.243 flat angles C4'-P-C4' energy: -193.040 flat angles P-C4'-P energy: -129.390 tors. eta vs tors. theta energy: -237.447 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: 1 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2663.086704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.086704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.086704 (E_RNA) where: Base-Base interactions energy: -1811.771 where: short stacking energy: -787.355 Base-Backbone interact. energy: -2.745 local terms energy: -848.570720 where: bonds (distance) C4'-P energy: -156.864 bonds (distance) P-C4' energy: -165.512 flat angles C4'-P-C4' energy: -179.416 flat angles P-C4'-P energy: -126.752 tors. eta vs tors. theta energy: -220.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2510.181357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.181357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.181357 (E_RNA) where: Base-Base interactions energy: -1718.343 where: short stacking energy: -701.088 Base-Backbone interact. energy: -5.100 local terms energy: -786.738190 where: bonds (distance) C4'-P energy: -160.029 bonds (distance) P-C4' energy: -160.452 flat angles C4'-P-C4' energy: -176.332 flat angles P-C4'-P energy: -107.378 tors. eta vs tors. theta energy: -182.547 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: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2373.221756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.221756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.221756 (E_RNA) where: Base-Base interactions energy: -1609.149 where: short stacking energy: -728.474 Base-Backbone interact. energy: -2.629 local terms energy: -761.443556 where: bonds (distance) C4'-P energy: -140.489 bonds (distance) P-C4' energy: -156.462 flat angles C4'-P-C4' energy: -155.689 flat angles P-C4'-P energy: -93.838 tors. eta vs tors. theta energy: -214.965 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: 139 Temperature: 1.100000 Total energy: -2262.670858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.670858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.670858 (E_RNA) where: Base-Base interactions energy: -1528.396 where: short stacking energy: -671.031 Base-Backbone interact. energy: -1.584 local terms energy: -732.691177 where: bonds (distance) C4'-P energy: -144.632 bonds (distance) P-C4' energy: -143.004 flat angles C4'-P-C4' energy: -153.937 flat angles P-C4'-P energy: -99.949 tors. eta vs tors. theta energy: -191.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1977.801936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.801936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.801936 (E_RNA) where: Base-Base interactions energy: -1301.499 where: short stacking energy: -573.970 Base-Backbone interact. energy: 2.072 local terms energy: -678.374970 where: bonds (distance) C4'-P energy: -145.445 bonds (distance) P-C4' energy: -148.675 flat angles C4'-P-C4' energy: -153.459 flat angles P-C4'-P energy: -94.337 tors. eta vs tors. theta energy: -136.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1826.527307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.527307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.527307 (E_RNA) where: Base-Base interactions energy: -1223.007 where: short stacking energy: -505.358 Base-Backbone interact. energy: -2.362 local terms energy: -601.158198 where: bonds (distance) C4'-P energy: -144.311 bonds (distance) P-C4' energy: -134.715 flat angles C4'-P-C4' energy: -128.823 flat angles P-C4'-P energy: -86.316 tors. eta vs tors. theta energy: -106.994 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: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1400.106400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.106400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.106400 (E_RNA) where: Base-Base interactions energy: -851.368 where: short stacking energy: -369.212 Base-Backbone interact. energy: -2.494 local terms energy: -546.244371 where: bonds (distance) C4'-P energy: -128.272 bonds (distance) P-C4' energy: -139.629 flat angles C4'-P-C4' energy: -133.352 flat angles P-C4'-P energy: -86.587 tors. eta vs tors. theta energy: -58.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1110.220795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.220795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.220795 (E_RNA) where: Base-Base interactions energy: -620.545 where: short stacking energy: -318.139 Base-Backbone interact. energy: -0.047 local terms energy: -489.628232 where: bonds (distance) C4'-P energy: -114.067 bonds (distance) P-C4' energy: -147.732 flat angles C4'-P-C4' energy: -131.072 flat angles P-C4'-P energy: -82.129 tors. eta vs tors. theta energy: -14.628 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: 10, replica: 6 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -747.433805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.433805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.433805 (E_RNA) where: Base-Base interactions energy: -314.325 where: short stacking energy: -211.414 Base-Backbone interact. energy: -1.424 local terms energy: -431.685039 where: bonds (distance) C4'-P energy: -129.866 bonds (distance) P-C4' energy: -139.944 flat angles C4'-P-C4' energy: -111.177 flat angles P-C4'-P energy: -63.140 tors. eta vs tors. theta energy: 12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2784.504326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.504326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.504326 (E_RNA) where: Base-Base interactions energy: -1939.281 where: short stacking energy: -825.679 Base-Backbone interact. energy: -4.253 local terms energy: -840.970030 where: bonds (distance) C4'-P energy: -165.021 bonds (distance) P-C4' energy: -171.544 flat angles C4'-P-C4' energy: -173.240 flat angles P-C4'-P energy: -110.675 tors. eta vs tors. theta energy: -220.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2668.660338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.660338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.660338 (E_RNA) where: Base-Base interactions energy: -1794.593 where: short stacking energy: -788.055 Base-Backbone interact. energy: -2.838 local terms energy: -871.229712 where: bonds (distance) C4'-P energy: -167.045 bonds (distance) P-C4' energy: -166.141 flat angles C4'-P-C4' energy: -184.302 flat angles P-C4'-P energy: -124.389 tors. eta vs tors. theta energy: -229.353 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: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2496.888026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.888026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.888026 (E_RNA) where: Base-Base interactions energy: -1699.559 where: short stacking energy: -721.008 Base-Backbone interact. energy: -1.575 local terms energy: -795.754316 where: bonds (distance) C4'-P energy: -154.848 bonds (distance) P-C4' energy: -150.042 flat angles C4'-P-C4' energy: -180.519 flat angles P-C4'-P energy: -103.466 tors. eta vs tors. theta energy: -206.879 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: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2372.830677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.830677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.830677 (E_RNA) where: Base-Base interactions energy: -1566.079 where: short stacking energy: -696.062 Base-Backbone interact. energy: 0.157 local terms energy: -806.909096 where: bonds (distance) C4'-P energy: -151.356 bonds (distance) P-C4' energy: -158.916 flat angles C4'-P-C4' energy: -181.482 flat angles P-C4'-P energy: -110.211 tors. eta vs tors. theta energy: -204.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2238.912093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.912093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.912093 (E_RNA) where: Base-Base interactions energy: -1512.237 where: short stacking energy: -661.442 Base-Backbone interact. energy: -2.821 local terms energy: -723.853766 where: bonds (distance) C4'-P energy: -140.098 bonds (distance) P-C4' energy: -154.192 flat angles C4'-P-C4' energy: -154.957 flat angles P-C4'-P energy: -89.735 tors. eta vs tors. theta energy: -184.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2001.280943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.280943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.280943 (E_RNA) where: Base-Base interactions energy: -1288.738 where: short stacking energy: -564.144 Base-Backbone interact. energy: -3.686 local terms energy: -708.856748 where: bonds (distance) C4'-P energy: -151.595 bonds (distance) P-C4' energy: -141.779 flat angles C4'-P-C4' energy: -159.285 flat angles P-C4'-P energy: -110.477 tors. eta vs tors. theta energy: -145.722 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: 7, replica: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1881.801040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.801040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.801040 (E_RNA) where: Base-Base interactions energy: -1233.150 where: short stacking energy: -517.287 Base-Backbone interact. energy: -2.658 local terms energy: -645.993005 where: bonds (distance) C4'-P energy: -126.995 bonds (distance) P-C4' energy: -163.021 flat angles C4'-P-C4' energy: -138.475 flat angles P-C4'-P energy: -105.748 tors. eta vs tors. theta energy: -111.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1384.294910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.294910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.294910 (E_RNA) where: Base-Base interactions energy: -838.608 where: short stacking energy: -390.938 Base-Backbone interact. energy: 2.028 local terms energy: -547.714943 where: bonds (distance) C4'-P energy: -142.910 bonds (distance) P-C4' energy: -146.585 flat angles C4'-P-C4' energy: -125.977 flat angles P-C4'-P energy: -79.404 tors. eta vs tors. theta energy: -52.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1021.996188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.996188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.996188 (E_RNA) where: Base-Base interactions energy: -538.877 where: short stacking energy: -270.174 Base-Backbone interact. energy: 2.818 local terms energy: -485.937364 where: bonds (distance) C4'-P energy: -136.868 bonds (distance) P-C4' energy: -134.840 flat angles C4'-P-C4' energy: -130.617 flat angles P-C4'-P energy: -65.089 tors. eta vs tors. theta energy: -18.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -753.691429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.691429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.691429 (E_RNA) where: Base-Base interactions energy: -358.992 where: short stacking energy: -245.708 Base-Backbone interact. energy: 2.148 local terms energy: -396.847360 where: bonds (distance) C4'-P energy: -98.103 bonds (distance) P-C4' energy: -142.978 flat angles C4'-P-C4' energy: -116.955 flat angles P-C4'-P energy: -42.509 tors. eta vs tors. theta energy: 3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2789.981251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.981251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.981251 (E_RNA) where: Base-Base interactions energy: -1915.392 where: short stacking energy: -819.862 Base-Backbone interact. energy: -3.992 local terms energy: -870.596544 where: bonds (distance) C4'-P energy: -155.638 bonds (distance) P-C4' energy: -173.827 flat angles C4'-P-C4' energy: -174.856 flat angles P-C4'-P energy: -129.450 tors. eta vs tors. theta energy: -236.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2673.319151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.319151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.319151 (E_RNA) where: Base-Base interactions energy: -1820.438 where: short stacking energy: -798.933 Base-Backbone interact. energy: -3.454 local terms energy: -849.427691 where: bonds (distance) C4'-P energy: -157.785 bonds (distance) P-C4' energy: -168.062 flat angles C4'-P-C4' energy: -179.986 flat angles P-C4'-P energy: -113.434 tors. eta vs tors. theta energy: -230.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2467.339349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.339349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.339349 (E_RNA) where: Base-Base interactions energy: -1666.245 where: short stacking energy: -729.433 Base-Backbone interact. energy: -5.568 local terms energy: -795.525498 where: bonds (distance) C4'-P energy: -141.532 bonds (distance) P-C4' energy: -172.231 flat angles C4'-P-C4' energy: -163.340 flat angles P-C4'-P energy: -118.210 tors. eta vs tors. theta energy: -200.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2380.655186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.655186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.655186 (E_RNA) where: Base-Base interactions energy: -1608.665 where: short stacking energy: -705.983 Base-Backbone interact. energy: -2.727 local terms energy: -769.262739 where: bonds (distance) C4'-P energy: -143.054 bonds (distance) P-C4' energy: -155.391 flat angles C4'-P-C4' energy: -163.596 flat angles P-C4'-P energy: -105.765 tors. eta vs tors. theta energy: -201.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2250.433080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.433080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.433080 (E_RNA) where: Base-Base interactions energy: -1522.361 where: short stacking energy: -651.596 Base-Backbone interact. energy: 0.503 local terms energy: -728.575121 where: bonds (distance) C4'-P energy: -127.521 bonds (distance) P-C4' energy: -160.818 flat angles C4'-P-C4' energy: -154.092 flat angles P-C4'-P energy: -113.982 tors. eta vs tors. theta energy: -172.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2064.984055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.984055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.984055 (E_RNA) where: Base-Base interactions energy: -1399.995 where: short stacking energy: -584.649 Base-Backbone interact. energy: 3.537 local terms energy: -668.526020 where: bonds (distance) C4'-P energy: -105.206 bonds (distance) P-C4' energy: -138.441 flat angles C4'-P-C4' energy: -153.023 flat angles P-C4'-P energy: -118.359 tors. eta vs tors. theta energy: -153.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1779.730476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.730476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.730476 (E_RNA) where: Base-Base interactions energy: -1179.656 where: short stacking energy: -505.106 Base-Backbone interact. energy: -3.991 local terms energy: -596.083974 where: bonds (distance) C4'-P energy: -135.518 bonds (distance) P-C4' energy: -147.343 flat angles C4'-P-C4' energy: -145.232 flat angles P-C4'-P energy: -64.293 tors. eta vs tors. theta energy: -103.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1370.768136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.768136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.768136 (E_RNA) where: Base-Base interactions energy: -829.261 where: short stacking energy: -402.721 Base-Backbone interact. energy: 2.624 local terms energy: -544.131571 where: bonds (distance) C4'-P energy: -130.886 bonds (distance) P-C4' energy: -147.391 flat angles C4'-P-C4' energy: -125.790 flat angles P-C4'-P energy: -79.992 tors. eta vs tors. theta energy: -60.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1055.535229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.535229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.535229 (E_RNA) where: Base-Base interactions energy: -570.537 where: short stacking energy: -289.973 Base-Backbone interact. energy: 4.943 local terms energy: -489.941133 where: bonds (distance) C4'-P energy: -122.073 bonds (distance) P-C4' energy: -148.545 flat angles C4'-P-C4' energy: -118.697 flat angles P-C4'-P energy: -79.366 tors. eta vs tors. theta energy: -21.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -691.969595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.969595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.969595 (E_RNA) where: Base-Base interactions energy: -271.485 where: short stacking energy: -207.848 Base-Backbone interact. energy: -0.326 local terms energy: -420.159216 where: bonds (distance) C4'-P energy: -111.917 bonds (distance) P-C4' energy: -156.024 flat angles C4'-P-C4' energy: -114.850 flat angles P-C4'-P energy: -59.432 tors. eta vs tors. theta energy: 22.063 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: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2731.126460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.126460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.126460 (E_RNA) where: Base-Base interactions energy: -1896.939 where: short stacking energy: -813.080 Base-Backbone interact. energy: -4.650 local terms energy: -829.536662 where: bonds (distance) C4'-P energy: -145.714 bonds (distance) P-C4' energy: -156.015 flat angles C4'-P-C4' energy: -189.434 flat angles P-C4'-P energy: -118.802 tors. eta vs tors. theta energy: -219.572 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: 1 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2652.318976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.318976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.318976 (E_RNA) where: Base-Base interactions energy: -1778.042 where: short stacking energy: -776.280 Base-Backbone interact. energy: 3.267 local terms energy: -877.543189 where: bonds (distance) C4'-P energy: -153.412 bonds (distance) P-C4' energy: -186.585 flat angles C4'-P-C4' energy: -181.577 flat angles P-C4'-P energy: -122.372 tors. eta vs tors. theta energy: -233.598 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: 3, replica: 8 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2486.821479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.821479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.821479 (E_RNA) where: Base-Base interactions energy: -1680.060 where: short stacking energy: -735.897 Base-Backbone interact. energy: 1.016 local terms energy: -807.776842 where: bonds (distance) C4'-P energy: -154.857 bonds (distance) P-C4' energy: -158.196 flat angles C4'-P-C4' energy: -176.091 flat angles P-C4'-P energy: -105.553 tors. eta vs tors. theta energy: -213.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2345.448710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.448710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.448710 (E_RNA) where: Base-Base interactions energy: -1573.269 where: short stacking energy: -702.868 Base-Backbone interact. energy: -3.605 local terms energy: -768.574491 where: bonds (distance) C4'-P energy: -152.148 bonds (distance) P-C4' energy: -145.492 flat angles C4'-P-C4' energy: -156.667 flat angles P-C4'-P energy: -116.694 tors. eta vs tors. theta energy: -197.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2214.462329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.462329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.462329 (E_RNA) where: Base-Base interactions energy: -1509.212 where: short stacking energy: -656.922 Base-Backbone interact. energy: 0.235 local terms energy: -705.485729 where: bonds (distance) C4'-P energy: -137.256 bonds (distance) P-C4' energy: -145.757 flat angles C4'-P-C4' energy: -144.741 flat angles P-C4'-P energy: -95.957 tors. eta vs tors. theta energy: -181.775 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: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2092.704480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.704480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.704480 (E_RNA) where: Base-Base interactions energy: -1400.845 where: short stacking energy: -575.112 Base-Backbone interact. energy: -0.078 local terms energy: -691.781447 where: bonds (distance) C4'-P energy: -134.049 bonds (distance) P-C4' energy: -151.741 flat angles C4'-P-C4' energy: -159.056 flat angles P-C4'-P energy: -86.152 tors. eta vs tors. theta energy: -160.782 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: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1723.464537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.464537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.464537 (E_RNA) where: Base-Base interactions energy: -1076.023 where: short stacking energy: -461.897 Base-Backbone interact. energy: -0.484 local terms energy: -646.958506 where: bonds (distance) C4'-P energy: -152.204 bonds (distance) P-C4' energy: -161.878 flat angles C4'-P-C4' energy: -143.253 flat angles P-C4'-P energy: -91.347 tors. eta vs tors. theta energy: -98.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1400.547579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.547579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.547579 (E_RNA) where: Base-Base interactions energy: -870.948 where: short stacking energy: -412.686 Base-Backbone interact. energy: 8.778 local terms energy: -538.377979 where: bonds (distance) C4'-P energy: -130.225 bonds (distance) P-C4' energy: -122.370 flat angles C4'-P-C4' energy: -140.375 flat angles P-C4'-P energy: -61.381 tors. eta vs tors. theta energy: -84.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1014.502642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.502642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.502642 (E_RNA) where: Base-Base interactions energy: -572.813 where: short stacking energy: -276.585 Base-Backbone interact. energy: -2.093 local terms energy: -439.596270 where: bonds (distance) C4'-P energy: -143.440 bonds (distance) P-C4' energy: -127.033 flat angles C4'-P-C4' energy: -106.554 flat angles P-C4'-P energy: -55.299 tors. eta vs tors. theta energy: -7.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -748.212233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.212233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.212233 (E_RNA) where: Base-Base interactions energy: -348.878 where: short stacking energy: -201.434 Base-Backbone interact. energy: 0.872 local terms energy: -400.206332 where: bonds (distance) C4'-P energy: -108.808 bonds (distance) P-C4' energy: -152.462 flat angles C4'-P-C4' energy: -107.826 flat angles P-C4'-P energy: -50.949 tors. eta vs tors. theta energy: 19.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2763.777468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.777468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.777468 (E_RNA) where: Base-Base interactions energy: -1952.940 where: short stacking energy: -793.137 Base-Backbone interact. energy: -3.550 local terms energy: -807.287881 where: bonds (distance) C4'-P energy: -156.979 bonds (distance) P-C4' energy: -163.821 flat angles C4'-P-C4' energy: -176.391 flat angles P-C4'-P energy: -97.944 tors. eta vs tors. theta energy: -212.153 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: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2661.489030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.489030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.489030 (E_RNA) where: Base-Base interactions energy: -1825.405 where: short stacking energy: -796.184 Base-Backbone interact. energy: -0.961 local terms energy: -835.123117 where: bonds (distance) C4'-P energy: -157.262 bonds (distance) P-C4' energy: -160.440 flat angles C4'-P-C4' energy: -176.326 flat angles P-C4'-P energy: -120.239 tors. eta vs tors. theta energy: -220.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2447.674700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.674700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.674700 (E_RNA) where: Base-Base interactions energy: -1663.545 where: short stacking energy: -692.455 Base-Backbone interact. energy: -2.469 local terms energy: -781.661065 where: bonds (distance) C4'-P energy: -155.548 bonds (distance) P-C4' energy: -157.620 flat angles C4'-P-C4' energy: -163.837 flat angles P-C4'-P energy: -108.275 tors. eta vs tors. theta energy: -196.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2347.180409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.180409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.180409 (E_RNA) where: Base-Base interactions energy: -1592.544 where: short stacking energy: -715.951 Base-Backbone interact. energy: -2.892 local terms energy: -751.744032 where: bonds (distance) C4'-P energy: -165.893 bonds (distance) P-C4' energy: -150.436 flat angles C4'-P-C4' energy: -148.415 flat angles P-C4'-P energy: -92.954 tors. eta vs tors. theta energy: -194.046 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: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2204.035486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.035486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.035486 (E_RNA) where: Base-Base interactions energy: -1470.571 where: short stacking energy: -667.192 Base-Backbone interact. energy: -2.529 local terms energy: -730.935436 where: bonds (distance) C4'-P energy: -153.910 bonds (distance) P-C4' energy: -143.051 flat angles C4'-P-C4' energy: -159.123 flat angles P-C4'-P energy: -96.446 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: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2072.326873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.326873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.326873 (E_RNA) where: Base-Base interactions energy: -1400.578 where: short stacking energy: -631.646 Base-Backbone interact. energy: 2.188 local terms energy: -673.937026 where: bonds (distance) C4'-P energy: -127.601 bonds (distance) P-C4' energy: -129.108 flat angles C4'-P-C4' energy: -160.013 flat angles P-C4'-P energy: -104.457 tors. eta vs tors. theta energy: -152.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1735.969129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.969129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.969129 (E_RNA) where: Base-Base interactions energy: -1140.069 where: short stacking energy: -476.819 Base-Backbone interact. energy: -1.775 local terms energy: -594.125190 where: bonds (distance) C4'-P energy: -128.397 bonds (distance) P-C4' energy: -140.808 flat angles C4'-P-C4' energy: -138.268 flat angles P-C4'-P energy: -83.938 tors. eta vs tors. theta energy: -102.714 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: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1435.717924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.717924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.717924 (E_RNA) where: Base-Base interactions energy: -881.169 where: short stacking energy: -438.877 Base-Backbone interact. energy: -3.783 local terms energy: -550.765518 where: bonds (distance) C4'-P energy: -132.933 bonds (distance) P-C4' energy: -132.039 flat angles C4'-P-C4' energy: -132.069 flat angles P-C4'-P energy: -77.119 tors. eta vs tors. theta energy: -76.606 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: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -984.049689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.049689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.049689 (E_RNA) where: Base-Base interactions energy: -519.995 where: short stacking energy: -275.111 Base-Backbone interact. energy: 0.765 local terms energy: -464.820049 where: bonds (distance) C4'-P energy: -125.030 bonds (distance) P-C4' energy: -132.482 flat angles C4'-P-C4' energy: -120.943 flat angles P-C4'-P energy: -72.068 tors. eta vs tors. theta energy: -14.297 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: 6 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -721.222341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.222341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.222341 (E_RNA) where: Base-Base interactions energy: -311.142 where: short stacking energy: -186.342 Base-Backbone interact. energy: -1.257 local terms energy: -408.823729 where: bonds (distance) C4'-P energy: -127.609 bonds (distance) P-C4' energy: -137.606 flat angles C4'-P-C4' energy: -125.355 flat angles P-C4'-P energy: -59.888 tors. eta vs tors. theta energy: 41.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2750.395793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.395793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.395793 (E_RNA) where: Base-Base interactions energy: -1886.143 where: short stacking energy: -769.847 Base-Backbone interact. energy: -5.456 local terms energy: -858.796864 where: bonds (distance) C4'-P energy: -167.685 bonds (distance) P-C4' energy: -166.361 flat angles C4'-P-C4' energy: -188.289 flat angles P-C4'-P energy: -114.296 tors. eta vs tors. theta energy: -222.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2672.304861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.304861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.304861 (E_RNA) where: Base-Base interactions energy: -1829.126 where: short stacking energy: -805.386 Base-Backbone interact. energy: -1.792 local terms energy: -841.386271 where: bonds (distance) C4'-P energy: -153.436 bonds (distance) P-C4' energy: -148.150 flat angles C4'-P-C4' energy: -177.003 flat angles P-C4'-P energy: -133.918 tors. eta vs tors. theta energy: -228.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2440.628146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.628146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.628146 (E_RNA) where: Base-Base interactions energy: -1647.381 where: short stacking energy: -682.476 Base-Backbone interact. energy: -3.883 local terms energy: -789.364012 where: bonds (distance) C4'-P energy: -137.010 bonds (distance) P-C4' energy: -163.292 flat angles C4'-P-C4' energy: -180.161 flat angles P-C4'-P energy: -119.914 tors. eta vs tors. theta energy: -188.987 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: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2413.116477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.116477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.116477 (E_RNA) where: Base-Base interactions energy: -1636.757 where: short stacking energy: -724.621 Base-Backbone interact. energy: 1.347 local terms energy: -777.706487 where: bonds (distance) C4'-P energy: -149.517 bonds (distance) P-C4' energy: -148.293 flat angles C4'-P-C4' energy: -168.976 flat angles P-C4'-P energy: -114.402 tors. eta vs tors. theta energy: -196.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2176.946201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.946201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.946201 (E_RNA) where: Base-Base interactions energy: -1441.839 where: short stacking energy: -607.130 Base-Backbone interact. energy: -2.436 local terms energy: -732.671056 where: bonds (distance) C4'-P energy: -158.932 bonds (distance) P-C4' energy: -145.652 flat angles C4'-P-C4' energy: -160.626 flat angles P-C4'-P energy: -98.514 tors. eta vs tors. theta energy: -168.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1987.628837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.628837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.628837 (E_RNA) where: Base-Base interactions energy: -1326.945 where: short stacking energy: -577.544 Base-Backbone interact. energy: -1.204 local terms energy: -659.479942 where: bonds (distance) C4'-P energy: -137.452 bonds (distance) P-C4' energy: -144.593 flat angles C4'-P-C4' energy: -151.941 flat angles P-C4'-P energy: -88.989 tors. eta vs tors. theta energy: -136.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1668.868587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.868587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.868587 (E_RNA) where: Base-Base interactions energy: -1083.586 where: short stacking energy: -488.286 Base-Backbone interact. energy: -1.278 local terms energy: -584.003941 where: bonds (distance) C4'-P energy: -128.346 bonds (distance) P-C4' energy: -140.986 flat angles C4'-P-C4' energy: -139.398 flat angles P-C4'-P energy: -86.613 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: 144 Temperature: 1.250000 Total energy: -1421.235004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.235004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.235004 (E_RNA) where: Base-Base interactions energy: -881.542 where: short stacking energy: -424.753 Base-Backbone interact. energy: 6.484 local terms energy: -546.177042 where: bonds (distance) C4'-P energy: -127.276 bonds (distance) P-C4' energy: -145.022 flat angles C4'-P-C4' energy: -121.669 flat angles P-C4'-P energy: -65.626 tors. eta vs tors. theta energy: -86.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1004.913512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.913512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.913512 (E_RNA) where: Base-Base interactions energy: -532.555 where: short stacking energy: -291.471 Base-Backbone interact. energy: 0.186 local terms energy: -472.544172 where: bonds (distance) C4'-P energy: -129.902 bonds (distance) P-C4' energy: -146.630 flat angles C4'-P-C4' energy: -117.390 flat angles P-C4'-P energy: -65.984 tors. eta vs tors. theta energy: -12.638 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: 6 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -726.806105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.806105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.806105 (E_RNA) where: Base-Base interactions energy: -332.357 where: short stacking energy: -214.391 Base-Backbone interact. energy: -3.161 local terms energy: -391.288483 where: bonds (distance) C4'-P energy: -116.115 bonds (distance) P-C4' energy: -127.284 flat angles C4'-P-C4' energy: -107.952 flat angles P-C4'-P energy: -56.334 tors. eta vs tors. theta energy: 16.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2733.542440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.542440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.542440 (E_RNA) where: Base-Base interactions energy: -1875.657 where: short stacking energy: -750.189 Base-Backbone interact. energy: -3.254 local terms energy: -854.632199 where: bonds (distance) C4'-P energy: -153.130 bonds (distance) P-C4' energy: -165.296 flat angles C4'-P-C4' energy: -188.434 flat angles P-C4'-P energy: -126.668 tors. eta vs tors. theta energy: -221.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2676.690663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.690663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.690663 (E_RNA) where: Base-Base interactions energy: -1813.040 where: short stacking energy: -802.201 Base-Backbone interact. energy: 0.796 local terms energy: -864.447115 where: bonds (distance) C4'-P energy: -167.268 bonds (distance) P-C4' energy: -168.422 flat angles C4'-P-C4' energy: -180.036 flat angles P-C4'-P energy: -140.442 tors. eta vs tors. theta energy: -208.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2435.683569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.683569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.683569 (E_RNA) where: Base-Base interactions energy: -1633.975 where: short stacking energy: -656.810 Base-Backbone interact. energy: -5.058 local terms energy: -796.650366 where: bonds (distance) C4'-P energy: -154.622 bonds (distance) P-C4' energy: -167.690 flat angles C4'-P-C4' energy: -170.459 flat angles P-C4'-P energy: -107.746 tors. eta vs tors. theta energy: -196.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2378.451780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.451780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.451780 (E_RNA) where: Base-Base interactions energy: -1599.461 where: short stacking energy: -695.579 Base-Backbone interact. energy: 0.710 local terms energy: -779.700614 where: bonds (distance) C4'-P energy: -155.911 bonds (distance) P-C4' energy: -151.541 flat angles C4'-P-C4' energy: -173.018 flat angles P-C4'-P energy: -118.396 tors. eta vs tors. theta energy: -180.834 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: 5 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2240.777464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.777464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.777464 (E_RNA) where: Base-Base interactions energy: -1484.641 where: short stacking energy: -655.884 Base-Backbone interact. energy: -2.464 local terms energy: -753.672800 where: bonds (distance) C4'-P energy: -135.782 bonds (distance) P-C4' energy: -164.017 flat angles C4'-P-C4' energy: -176.981 flat angles P-C4'-P energy: -111.117 tors. eta vs tors. theta energy: -165.776 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: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2015.197959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.197959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.197959 (E_RNA) where: Base-Base interactions energy: -1329.582 where: short stacking energy: -585.958 Base-Backbone interact. energy: -0.690 local terms energy: -684.925839 where: bonds (distance) C4'-P energy: -135.829 bonds (distance) P-C4' energy: -141.962 flat angles C4'-P-C4' energy: -160.792 flat angles P-C4'-P energy: -104.765 tors. eta vs tors. theta energy: -141.578 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: 7, replica: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1581.231255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.231255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.231255 (E_RNA) where: Base-Base interactions energy: -975.712 where: short stacking energy: -451.921 Base-Backbone interact. energy: 1.042 local terms energy: -606.561828 where: bonds (distance) C4'-P energy: -146.032 bonds (distance) P-C4' energy: -147.034 flat angles C4'-P-C4' energy: -138.696 flat angles P-C4'-P energy: -100.265 tors. eta vs tors. theta energy: -74.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1403.722840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.722840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.722840 (E_RNA) where: Base-Base interactions energy: -843.673 where: short stacking energy: -398.342 Base-Backbone interact. energy: -2.068 local terms energy: -557.982036 where: bonds (distance) C4'-P energy: -141.629 bonds (distance) P-C4' energy: -155.980 flat angles C4'-P-C4' energy: -135.309 flat angles P-C4'-P energy: -62.724 tors. eta vs tors. theta energy: -62.340 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: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1013.858017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.858017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.858017 (E_RNA) where: Base-Base interactions energy: -541.449 where: short stacking energy: -285.149 Base-Backbone interact. energy: 4.088 local terms energy: -476.496791 where: bonds (distance) C4'-P energy: -115.261 bonds (distance) P-C4' energy: -152.484 flat angles C4'-P-C4' energy: -120.808 flat angles P-C4'-P energy: -70.012 tors. eta vs tors. theta energy: -17.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -714.517355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.517355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.517355 (E_RNA) where: Base-Base interactions energy: -288.672 where: short stacking energy: -176.233 Base-Backbone interact. energy: 0.181 local terms energy: -426.026337 where: bonds (distance) C4'-P energy: -110.663 bonds (distance) P-C4' energy: -157.554 flat angles C4'-P-C4' energy: -128.572 flat angles P-C4'-P energy: -53.521 tors. eta vs tors. theta energy: 24.283 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: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2786.028025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.028025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.028025 (E_RNA) where: Base-Base interactions energy: -1925.545 where: short stacking energy: -777.478 Base-Backbone interact. energy: -0.471 local terms energy: -860.012486 where: bonds (distance) C4'-P energy: -158.460 bonds (distance) P-C4' energy: -162.360 flat angles C4'-P-C4' energy: -190.475 flat angles P-C4'-P energy: -127.005 tors. eta vs tors. theta energy: -221.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2668.561327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.561327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.561327 (E_RNA) where: Base-Base interactions energy: -1786.640 where: short stacking energy: -777.013 Base-Backbone interact. energy: -1.233 local terms energy: -880.687731 where: bonds (distance) C4'-P energy: -164.641 bonds (distance) P-C4' energy: -171.786 flat angles C4'-P-C4' energy: -192.418 flat angles P-C4'-P energy: -123.587 tors. eta vs tors. theta energy: -228.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2467.159514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.159514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.159514 (E_RNA) where: Base-Base interactions energy: -1669.449 where: short stacking energy: -715.843 Base-Backbone interact. energy: -2.269 local terms energy: -795.441010 where: bonds (distance) C4'-P energy: -149.363 bonds (distance) P-C4' energy: -152.242 flat angles C4'-P-C4' energy: -168.003 flat angles P-C4'-P energy: -112.080 tors. eta vs tors. theta energy: -213.753 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: 4, replica: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2381.934664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.934664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.934664 (E_RNA) where: Base-Base interactions energy: -1605.072 where: short stacking energy: -716.036 Base-Backbone interact. energy: 2.303 local terms energy: -779.165332 where: bonds (distance) C4'-P energy: -139.592 bonds (distance) P-C4' energy: -161.422 flat angles C4'-P-C4' energy: -171.722 flat angles P-C4'-P energy: -103.197 tors. eta vs tors. theta energy: -203.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2175.979814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.979814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.979814 (E_RNA) where: Base-Base interactions energy: -1449.463 where: short stacking energy: -627.045 Base-Backbone interact. energy: -2.597 local terms energy: -723.919443 where: bonds (distance) C4'-P energy: -154.830 bonds (distance) P-C4' energy: -122.139 flat angles C4'-P-C4' energy: -172.303 flat angles P-C4'-P energy: -105.044 tors. eta vs tors. theta energy: -169.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2003.897839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.897839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.897839 (E_RNA) where: Base-Base interactions energy: -1286.773 where: short stacking energy: -581.307 Base-Backbone interact. energy: -1.179 local terms energy: -715.946119 where: bonds (distance) C4'-P energy: -150.390 bonds (distance) P-C4' energy: -165.121 flat angles C4'-P-C4' energy: -158.996 flat angles P-C4'-P energy: -98.961 tors. eta vs tors. theta energy: -142.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1652.285280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.285280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.285280 (E_RNA) where: Base-Base interactions energy: -1027.293 where: short stacking energy: -462.526 Base-Backbone interact. energy: 3.084 local terms energy: -628.076832 where: bonds (distance) C4'-P energy: -126.729 bonds (distance) P-C4' energy: -164.211 flat angles C4'-P-C4' energy: -147.535 flat angles P-C4'-P energy: -93.889 tors. eta vs tors. theta energy: -95.713 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: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1369.804026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.804026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.804026 (E_RNA) where: Base-Base interactions energy: -820.956 where: short stacking energy: -390.920 Base-Backbone interact. energy: 1.567 local terms energy: -550.415511 where: bonds (distance) C4'-P energy: -130.209 bonds (distance) P-C4' energy: -142.223 flat angles C4'-P-C4' energy: -117.465 flat angles P-C4'-P energy: -91.740 tors. eta vs tors. theta energy: -68.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1058.327772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.327772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.327772 (E_RNA) where: Base-Base interactions energy: -544.997 where: short stacking energy: -274.496 Base-Backbone interact. energy: 0.088 local terms energy: -513.418488 where: bonds (distance) C4'-P energy: -139.030 bonds (distance) P-C4' energy: -149.707 flat angles C4'-P-C4' energy: -142.442 flat angles P-C4'-P energy: -68.866 tors. eta vs tors. theta energy: -13.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -743.413881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.413881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.413881 (E_RNA) where: Base-Base interactions energy: -316.029 where: short stacking energy: -226.865 Base-Backbone interact. energy: 3.027 local terms energy: -430.411118 where: bonds (distance) C4'-P energy: -128.913 bonds (distance) P-C4' energy: -152.517 flat angles C4'-P-C4' energy: -92.820 flat angles P-C4'-P energy: -68.603 tors. eta vs tors. theta energy: 12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2792.711995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.711995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.711995 (E_RNA) where: Base-Base interactions energy: -1899.441 where: short stacking energy: -783.842 Base-Backbone interact. energy: -4.149 local terms energy: -889.121992 where: bonds (distance) C4'-P energy: -178.115 bonds (distance) P-C4' energy: -176.542 flat angles C4'-P-C4' energy: -184.822 flat angles P-C4'-P energy: -127.246 tors. eta vs tors. theta energy: -222.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2630.985767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.985767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.985767 (E_RNA) where: Base-Base interactions energy: -1793.164 where: short stacking energy: -774.663 Base-Backbone interact. energy: 1.922 local terms energy: -839.744081 where: bonds (distance) C4'-P energy: -158.092 bonds (distance) P-C4' energy: -164.573 flat angles C4'-P-C4' energy: -174.074 flat angles P-C4'-P energy: -128.427 tors. eta vs tors. theta energy: -214.578 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: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2461.062411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.062411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.062411 (E_RNA) where: Base-Base interactions energy: -1682.911 where: short stacking energy: -727.084 Base-Backbone interact. energy: -0.513 local terms energy: -777.638528 where: bonds (distance) C4'-P energy: -163.179 bonds (distance) P-C4' energy: -133.239 flat angles C4'-P-C4' energy: -170.477 flat angles P-C4'-P energy: -103.748 tors. eta vs tors. theta energy: -206.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2412.735328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.735328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.735328 (E_RNA) where: Base-Base interactions energy: -1623.022 where: short stacking energy: -690.432 Base-Backbone interact. energy: 3.811 local terms energy: -793.524824 where: bonds (distance) C4'-P energy: -140.887 bonds (distance) P-C4' energy: -167.109 flat angles C4'-P-C4' energy: -179.969 flat angles P-C4'-P energy: -103.056 tors. eta vs tors. theta energy: -202.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2214.381881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.381881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.381881 (E_RNA) where: Base-Base interactions energy: -1484.516 where: short stacking energy: -622.300 Base-Backbone interact. energy: 0.600 local terms energy: -730.465649 where: bonds (distance) C4'-P energy: -134.365 bonds (distance) P-C4' energy: -160.164 flat angles C4'-P-C4' energy: -170.439 flat angles P-C4'-P energy: -100.926 tors. eta vs tors. theta energy: -164.571 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: 6, replica: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1951.601681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.601681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.601681 (E_RNA) where: Base-Base interactions energy: -1273.806 where: short stacking energy: -590.685 Base-Backbone interact. energy: 5.421 local terms energy: -683.216683 where: bonds (distance) C4'-P energy: -136.678 bonds (distance) P-C4' energy: -141.809 flat angles C4'-P-C4' energy: -162.805 flat angles P-C4'-P energy: -92.149 tors. eta vs tors. theta energy: -149.775 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: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1627.368686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.368686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.368686 (E_RNA) where: Base-Base interactions energy: -1010.848 where: short stacking energy: -493.595 Base-Backbone interact. energy: 0.309 local terms energy: -616.829776 where: bonds (distance) C4'-P energy: -130.781 bonds (distance) P-C4' energy: -157.017 flat angles C4'-P-C4' energy: -135.688 flat angles P-C4'-P energy: -93.896 tors. eta vs tors. theta energy: -99.447 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: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1364.508740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.508740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.508740 (E_RNA) where: Base-Base interactions energy: -816.855 where: short stacking energy: -407.251 Base-Backbone interact. energy: -1.465 local terms energy: -546.188950 where: bonds (distance) C4'-P energy: -135.336 bonds (distance) P-C4' energy: -145.902 flat angles C4'-P-C4' energy: -131.620 flat angles P-C4'-P energy: -76.395 tors. eta vs tors. theta energy: -56.935 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: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1086.551425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.551425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.551425 (E_RNA) where: Base-Base interactions energy: -605.628 where: short stacking energy: -303.948 Base-Backbone interact. energy: 2.220 local terms energy: -483.143788 where: bonds (distance) C4'-P energy: -123.557 bonds (distance) P-C4' energy: -138.130 flat angles C4'-P-C4' energy: -135.443 flat angles P-C4'-P energy: -75.281 tors. eta vs tors. theta energy: -10.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -695.459934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.459934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.459934 (E_RNA) where: Base-Base interactions energy: -284.501 where: short stacking energy: -170.287 Base-Backbone interact. energy: 1.287 local terms energy: -412.245905 where: bonds (distance) C4'-P energy: -153.365 bonds (distance) P-C4' energy: -140.092 flat angles C4'-P-C4' energy: -112.147 flat angles P-C4'-P energy: -42.171 tors. eta vs tors. theta energy: 35.528 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: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2765.582028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.582028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.582028 (E_RNA) where: Base-Base interactions energy: -1922.345 where: short stacking energy: -802.957 Base-Backbone interact. energy: -3.364 local terms energy: -839.873012 where: bonds (distance) C4'-P energy: -165.681 bonds (distance) P-C4' energy: -160.196 flat angles C4'-P-C4' energy: -179.261 flat angles P-C4'-P energy: -115.606 tors. eta vs tors. theta energy: -219.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2685.214767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.214767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.214767 (E_RNA) where: Base-Base interactions energy: -1814.268 where: short stacking energy: -796.217 Base-Backbone interact. energy: -1.194 local terms energy: -869.752324 where: bonds (distance) C4'-P energy: -147.407 bonds (distance) P-C4' energy: -169.224 flat angles C4'-P-C4' energy: -192.130 flat angles P-C4'-P energy: -127.461 tors. eta vs tors. theta energy: -233.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2460.329477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.329477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.329477 (E_RNA) where: Base-Base interactions energy: -1639.846 where: short stacking energy: -704.458 Base-Backbone interact. energy: -3.037 local terms energy: -817.446362 where: bonds (distance) C4'-P energy: -159.045 bonds (distance) P-C4' energy: -147.666 flat angles C4'-P-C4' energy: -186.500 flat angles P-C4'-P energy: -112.902 tors. eta vs tors. theta energy: -211.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2353.710699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.710699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.710699 (E_RNA) where: Base-Base interactions energy: -1590.326 where: short stacking energy: -682.109 Base-Backbone interact. energy: -6.960 local terms energy: -756.424748 where: bonds (distance) C4'-P energy: -151.883 bonds (distance) P-C4' energy: -150.867 flat angles C4'-P-C4' energy: -149.233 flat angles P-C4'-P energy: -113.940 tors. eta vs tors. theta energy: -190.501 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: 5, replica: 5 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2182.284111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.284111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.284111 (E_RNA) where: Base-Base interactions energy: -1477.691 where: short stacking energy: -641.807 Base-Backbone interact. energy: -0.812 local terms energy: -703.781199 where: bonds (distance) C4'-P energy: -125.197 bonds (distance) P-C4' energy: -144.965 flat angles C4'-P-C4' energy: -177.344 flat angles P-C4'-P energy: -95.023 tors. eta vs tors. theta energy: -161.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1939.791821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.791821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.791821 (E_RNA) where: Base-Base interactions energy: -1268.114 where: short stacking energy: -587.010 Base-Backbone interact. energy: -4.481 local terms energy: -667.197414 where: bonds (distance) C4'-P energy: -133.398 bonds (distance) P-C4' energy: -143.456 flat angles C4'-P-C4' energy: -149.641 flat angles P-C4'-P energy: -95.718 tors. eta vs tors. theta energy: -144.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1681.731486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.731486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.731486 (E_RNA) where: Base-Base interactions energy: -1070.063 where: short stacking energy: -481.539 Base-Backbone interact. energy: -1.967 local terms energy: -609.701357 where: bonds (distance) C4'-P energy: -130.411 bonds (distance) P-C4' energy: -142.842 flat angles C4'-P-C4' energy: -159.679 flat angles P-C4'-P energy: -74.054 tors. eta vs tors. theta energy: -102.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1372.266402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.266402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.266402 (E_RNA) where: Base-Base interactions energy: -825.577 where: short stacking energy: -390.738 Base-Backbone interact. energy: -0.925 local terms energy: -545.763983 where: bonds (distance) C4'-P energy: -113.166 bonds (distance) P-C4' energy: -132.373 flat angles C4'-P-C4' energy: -148.335 flat angles P-C4'-P energy: -91.272 tors. eta vs tors. theta energy: -60.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1048.717329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.717329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.717329 (E_RNA) where: Base-Base interactions energy: -542.794 where: short stacking energy: -301.997 Base-Backbone interact. energy: 3.810 local terms energy: -509.732997 where: bonds (distance) C4'-P energy: -133.417 bonds (distance) P-C4' energy: -117.922 flat angles C4'-P-C4' energy: -149.256 flat angles P-C4'-P energy: -82.119 tors. eta vs tors. theta energy: -27.019 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: 6 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -712.895141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.895141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.895141 (E_RNA) where: Base-Base interactions energy: -343.830 where: short stacking energy: -196.391 Base-Backbone interact. energy: 14.262 local terms energy: -383.327205 where: bonds (distance) C4'-P energy: -111.715 bonds (distance) P-C4' energy: -133.285 flat angles C4'-P-C4' energy: -131.852 flat angles P-C4'-P energy: -54.013 tors. eta vs tors. theta energy: 47.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2768.265476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.265476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.265476 (E_RNA) where: Base-Base interactions energy: -1877.337 where: short stacking energy: -815.569 Base-Backbone interact. energy: -3.366 local terms energy: -887.562002 where: bonds (distance) C4'-P energy: -175.078 bonds (distance) P-C4' energy: -160.481 flat angles C4'-P-C4' energy: -191.423 flat angles P-C4'-P energy: -127.774 tors. eta vs tors. theta energy: -232.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2673.637781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.637781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.637781 (E_RNA) where: Base-Base interactions energy: -1823.836 where: short stacking energy: -790.039 Base-Backbone interact. energy: -2.372 local terms energy: -847.429352 where: bonds (distance) C4'-P energy: -164.822 bonds (distance) P-C4' energy: -150.466 flat angles C4'-P-C4' energy: -191.278 flat angles P-C4'-P energy: -113.457 tors. eta vs tors. theta energy: -227.406 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: 10 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2466.062336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.062336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.062336 (E_RNA) where: Base-Base interactions energy: -1646.146 where: short stacking energy: -729.252 Base-Backbone interact. energy: -1.332 local terms energy: -818.584058 where: bonds (distance) C4'-P energy: -154.637 bonds (distance) P-C4' energy: -166.549 flat angles C4'-P-C4' energy: -187.033 flat angles P-C4'-P energy: -97.880 tors. eta vs tors. theta energy: -212.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2288.106739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.106739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.106739 (E_RNA) where: Base-Base interactions energy: -1528.892 where: short stacking energy: -652.289 Base-Backbone interact. energy: -6.785 local terms energy: -752.428845 where: bonds (distance) C4'-P energy: -150.932 bonds (distance) P-C4' energy: -147.250 flat angles C4'-P-C4' energy: -168.486 flat angles P-C4'-P energy: -107.894 tors. eta vs tors. theta energy: -177.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2193.607526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.607526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.607526 (E_RNA) where: Base-Base interactions energy: -1451.710 where: short stacking energy: -602.455 Base-Backbone interact. energy: -5.927 local terms energy: -735.969870 where: bonds (distance) C4'-P energy: -141.246 bonds (distance) P-C4' energy: -159.033 flat angles C4'-P-C4' energy: -175.008 flat angles P-C4'-P energy: -96.389 tors. eta vs tors. theta energy: -164.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2009.315360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.315360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.315360 (E_RNA) where: Base-Base interactions energy: -1328.097 where: short stacking energy: -572.065 Base-Backbone interact. energy: 0.443 local terms energy: -681.661559 where: bonds (distance) C4'-P energy: -145.562 bonds (distance) P-C4' energy: -151.007 flat angles C4'-P-C4' energy: -144.657 flat angles P-C4'-P energy: -96.002 tors. eta vs tors. theta energy: -144.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1730.032283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.032283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.032283 (E_RNA) where: Base-Base interactions energy: -1127.853 where: short stacking energy: -488.410 Base-Backbone interact. energy: -4.392 local terms energy: -597.786651 where: bonds (distance) C4'-P energy: -114.891 bonds (distance) P-C4' energy: -139.915 flat angles C4'-P-C4' energy: -144.953 flat angles P-C4'-P energy: -92.381 tors. eta vs tors. theta energy: -105.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1336.250317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.250317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.250317 (E_RNA) where: Base-Base interactions energy: -782.988 where: short stacking energy: -383.018 Base-Backbone interact. energy: 9.408 local terms energy: -562.670376 where: bonds (distance) C4'-P energy: -125.540 bonds (distance) P-C4' energy: -152.476 flat angles C4'-P-C4' energy: -131.010 flat angles P-C4'-P energy: -91.621 tors. eta vs tors. theta energy: -62.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1030.657089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.657089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.657089 (E_RNA) where: Base-Base interactions energy: -537.331 where: short stacking energy: -247.343 Base-Backbone interact. energy: 8.141 local terms energy: -501.466167 where: bonds (distance) C4'-P energy: -132.379 bonds (distance) P-C4' energy: -151.949 flat angles C4'-P-C4' energy: -116.887 flat angles P-C4'-P energy: -88.138 tors. eta vs tors. theta energy: -12.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -803.444616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.444616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.444616 (E_RNA) where: Base-Base interactions energy: -330.579 where: short stacking energy: -197.711 Base-Backbone interact. energy: 2.695 local terms energy: -475.560417 where: bonds (distance) C4'-P energy: -135.938 bonds (distance) P-C4' energy: -120.871 flat angles C4'-P-C4' energy: -124.441 flat angles P-C4'-P energy: -88.492 tors. eta vs tors. theta energy: -5.819 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: 1, replica: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2758.561076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.561076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.561076 (E_RNA) where: Base-Base interactions energy: -1888.861 where: short stacking energy: -782.730 Base-Backbone interact. energy: -2.856 local terms energy: -866.844496 where: bonds (distance) C4'-P energy: -181.185 bonds (distance) P-C4' energy: -157.627 flat angles C4'-P-C4' energy: -186.386 flat angles P-C4'-P energy: -117.598 tors. eta vs tors. theta energy: -224.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2656.777955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.777955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.777955 (E_RNA) where: Base-Base interactions energy: -1791.976 where: short stacking energy: -774.604 Base-Backbone interact. energy: -2.454 local terms energy: -862.347920 where: bonds (distance) C4'-P energy: -141.779 bonds (distance) P-C4' energy: -174.652 flat angles C4'-P-C4' energy: -183.830 flat angles P-C4'-P energy: -130.270 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: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2511.621018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.621018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.621018 (E_RNA) where: Base-Base interactions energy: -1673.458 where: short stacking energy: -738.325 Base-Backbone interact. energy: -4.967 local terms energy: -833.195697 where: bonds (distance) C4'-P energy: -146.177 bonds (distance) P-C4' energy: -167.220 flat angles C4'-P-C4' energy: -178.548 flat angles P-C4'-P energy: -128.722 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: 4, replica: 8 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2267.515181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.515181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.515181 (E_RNA) where: Base-Base interactions energy: -1534.809 where: short stacking energy: -621.737 Base-Backbone interact. energy: -2.198 local terms energy: -730.507550 where: bonds (distance) C4'-P energy: -145.021 bonds (distance) P-C4' energy: -154.096 flat angles C4'-P-C4' energy: -158.713 flat angles P-C4'-P energy: -107.327 tors. eta vs tors. theta energy: -165.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2195.358352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.358352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.358352 (E_RNA) where: Base-Base interactions energy: -1473.193 where: short stacking energy: -606.975 Base-Backbone interact. energy: 0.058 local terms energy: -722.222919 where: bonds (distance) C4'-P energy: -138.300 bonds (distance) P-C4' energy: -154.386 flat angles C4'-P-C4' energy: -152.798 flat angles P-C4'-P energy: -115.532 tors. eta vs tors. theta energy: -161.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1951.319398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.319398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.319398 (E_RNA) where: Base-Base interactions energy: -1295.488 where: short stacking energy: -580.877 Base-Backbone interact. energy: -0.614 local terms energy: -655.217517 where: bonds (distance) C4'-P energy: -129.954 bonds (distance) P-C4' energy: -136.025 flat angles C4'-P-C4' energy: -144.940 flat angles P-C4'-P energy: -97.433 tors. eta vs tors. theta energy: -146.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1776.340562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.340562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.340562 (E_RNA) where: Base-Base interactions energy: -1159.597 where: short stacking energy: -494.495 Base-Backbone interact. energy: -4.726 local terms energy: -612.017673 where: bonds (distance) C4'-P energy: -119.350 bonds (distance) P-C4' energy: -145.398 flat angles C4'-P-C4' energy: -155.101 flat angles P-C4'-P energy: -90.076 tors. eta vs tors. theta energy: -102.093 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: 8, replica: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1386.276861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.276861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.276861 (E_RNA) where: Base-Base interactions energy: -807.515 where: short stacking energy: -369.451 Base-Backbone interact. energy: -0.255 local terms energy: -578.506159 where: bonds (distance) C4'-P energy: -150.160 bonds (distance) P-C4' energy: -133.461 flat angles C4'-P-C4' energy: -143.707 flat angles P-C4'-P energy: -93.754 tors. eta vs tors. theta energy: -57.424 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: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1007.021461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.021461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.021461 (E_RNA) where: Base-Base interactions energy: -527.887 where: short stacking energy: -262.811 Base-Backbone interact. energy: 4.385 local terms energy: -483.519232 where: bonds (distance) C4'-P energy: -135.168 bonds (distance) P-C4' energy: -146.053 flat angles C4'-P-C4' energy: -133.693 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: -7.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -750.473467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.473467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.473467 (E_RNA) where: Base-Base interactions energy: -324.062 where: short stacking energy: -209.209 Base-Backbone interact. energy: -1.137 local terms energy: -425.274922 where: bonds (distance) C4'-P energy: -133.312 bonds (distance) P-C4' energy: -138.120 flat angles C4'-P-C4' energy: -95.958 flat angles P-C4'-P energy: -69.306 tors. eta vs tors. theta energy: 11.421 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: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2729.310121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.310121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.310121 (E_RNA) where: Base-Base interactions energy: -1864.053 where: short stacking energy: -765.574 Base-Backbone interact. energy: -1.797 local terms energy: -863.459801 where: bonds (distance) C4'-P energy: -146.915 bonds (distance) P-C4' energy: -171.708 flat angles C4'-P-C4' energy: -184.524 flat angles P-C4'-P energy: -130.657 tors. eta vs tors. theta energy: -229.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2688.369056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.369056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.369056 (E_RNA) where: Base-Base interactions energy: -1852.167 where: short stacking energy: -801.349 Base-Backbone interact. energy: 3.996 local terms energy: -840.198112 where: bonds (distance) C4'-P energy: -147.932 bonds (distance) P-C4' energy: -154.059 flat angles C4'-P-C4' energy: -179.657 flat angles P-C4'-P energy: -129.516 tors. eta vs tors. theta energy: -229.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2475.358906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.358906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.358906 (E_RNA) where: Base-Base interactions energy: -1652.608 where: short stacking energy: -699.856 Base-Backbone interact. energy: -4.048 local terms energy: -818.702687 where: bonds (distance) C4'-P energy: -159.739 bonds (distance) P-C4' energy: -166.599 flat angles C4'-P-C4' energy: -182.458 flat angles P-C4'-P energy: -106.790 tors. eta vs tors. theta energy: -203.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2325.262410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.262410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.262410 (E_RNA) where: Base-Base interactions energy: -1589.047 where: short stacking energy: -653.148 Base-Backbone interact. energy: -2.402 local terms energy: -733.813231 where: bonds (distance) C4'-P energy: -148.281 bonds (distance) P-C4' energy: -155.846 flat angles C4'-P-C4' energy: -153.765 flat angles P-C4'-P energy: -101.493 tors. eta vs tors. theta energy: -174.428 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: 151 Temperature: 1.100000 Total energy: -2137.957453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.957453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.957453 (E_RNA) where: Base-Base interactions energy: -1415.032 where: short stacking energy: -618.018 Base-Backbone interact. energy: 2.035 local terms energy: -724.960667 where: bonds (distance) C4'-P energy: -153.630 bonds (distance) P-C4' energy: -147.705 flat angles C4'-P-C4' energy: -171.037 flat angles P-C4'-P energy: -91.188 tors. eta vs tors. theta energy: -161.400 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: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2010.684340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.684340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.684340 (E_RNA) where: Base-Base interactions energy: -1327.435 where: short stacking energy: -583.338 Base-Backbone interact. energy: 4.726 local terms energy: -687.975753 where: bonds (distance) C4'-P energy: -137.120 bonds (distance) P-C4' energy: -146.984 flat angles C4'-P-C4' energy: -167.584 flat angles P-C4'-P energy: -96.132 tors. eta vs tors. theta energy: -140.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1774.779276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.779276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.779276 (E_RNA) where: Base-Base interactions energy: -1177.482 where: short stacking energy: -518.781 Base-Backbone interact. energy: -2.758 local terms energy: -594.538585 where: bonds (distance) C4'-P energy: -138.074 bonds (distance) P-C4' energy: -134.549 flat angles C4'-P-C4' energy: -130.187 flat angles P-C4'-P energy: -78.534 tors. eta vs tors. theta energy: -113.195 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: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1471.969712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.969712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.969712 (E_RNA) where: Base-Base interactions energy: -895.187 where: short stacking energy: -429.906 Base-Backbone interact. energy: -1.989 local terms energy: -574.793916 where: bonds (distance) C4'-P energy: -141.455 bonds (distance) P-C4' energy: -141.940 flat angles C4'-P-C4' energy: -125.634 flat angles P-C4'-P energy: -76.546 tors. eta vs tors. theta energy: -89.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -995.861547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.861547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.861547 (E_RNA) where: Base-Base interactions energy: -496.835 where: short stacking energy: -302.838 Base-Backbone interact. energy: -1.877 local terms energy: -497.149295 where: bonds (distance) C4'-P energy: -127.388 bonds (distance) P-C4' energy: -126.740 flat angles C4'-P-C4' energy: -137.687 flat angles P-C4'-P energy: -82.404 tors. eta vs tors. theta energy: -22.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -779.445857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.445857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.445857 (E_RNA) where: Base-Base interactions energy: -379.424 where: short stacking energy: -254.875 Base-Backbone interact. energy: -0.131 local terms energy: -399.889964 where: bonds (distance) C4'-P energy: -115.395 bonds (distance) P-C4' energy: -117.410 flat angles C4'-P-C4' energy: -99.389 flat angles P-C4'-P energy: -86.583 tors. eta vs tors. theta energy: 18.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2770.221017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.221017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.221017 (E_RNA) where: Base-Base interactions energy: -1883.513 where: short stacking energy: -786.995 Base-Backbone interact. energy: -5.487 local terms energy: -881.221729 where: bonds (distance) C4'-P energy: -160.940 bonds (distance) P-C4' energy: -166.486 flat angles C4'-P-C4' energy: -192.601 flat angles P-C4'-P energy: -132.583 tors. eta vs tors. theta energy: -228.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2675.349872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.349872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.349872 (E_RNA) where: Base-Base interactions energy: -1823.432 where: short stacking energy: -823.128 Base-Backbone interact. energy: 0.496 local terms energy: -852.414372 where: bonds (distance) C4'-P energy: -168.700 bonds (distance) P-C4' energy: -156.798 flat angles C4'-P-C4' energy: -188.718 flat angles P-C4'-P energy: -95.065 tors. eta vs tors. theta energy: -243.134 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: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2519.797027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.797027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.797027 (E_RNA) where: Base-Base interactions energy: -1685.595 where: short stacking energy: -696.489 Base-Backbone interact. energy: -4.443 local terms energy: -829.759602 where: bonds (distance) C4'-P energy: -169.906 bonds (distance) P-C4' energy: -178.657 flat angles C4'-P-C4' energy: -176.327 flat angles P-C4'-P energy: -105.410 tors. eta vs tors. theta energy: -199.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2331.434182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.434182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.434182 (E_RNA) where: Base-Base interactions energy: -1615.163 where: short stacking energy: -668.167 Base-Backbone interact. energy: -1.790 local terms energy: -714.481058 where: bonds (distance) C4'-P energy: -133.376 bonds (distance) P-C4' energy: -146.110 flat angles C4'-P-C4' energy: -167.755 flat angles P-C4'-P energy: -91.369 tors. eta vs tors. theta energy: -175.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2234.155028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.155028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.155028 (E_RNA) where: Base-Base interactions energy: -1467.329 where: short stacking energy: -637.525 Base-Backbone interact. energy: -2.868 local terms energy: -763.959008 where: bonds (distance) C4'-P energy: -139.802 bonds (distance) P-C4' energy: -160.229 flat angles C4'-P-C4' energy: -179.540 flat angles P-C4'-P energy: -91.783 tors. eta vs tors. theta energy: -192.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1978.126160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.126160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.126160 (E_RNA) where: Base-Base interactions energy: -1316.814 where: short stacking energy: -563.366 Base-Backbone interact. energy: -2.122 local terms energy: -659.190173 where: bonds (distance) C4'-P energy: -138.668 bonds (distance) P-C4' energy: -149.113 flat angles C4'-P-C4' energy: -143.629 flat angles P-C4'-P energy: -72.559 tors. eta vs tors. theta energy: -155.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1750.828985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.828985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.828985 (E_RNA) where: Base-Base interactions energy: -1126.257 where: short stacking energy: -482.586 Base-Backbone interact. energy: 3.927 local terms energy: -628.498806 where: bonds (distance) C4'-P energy: -143.365 bonds (distance) P-C4' energy: -129.460 flat angles C4'-P-C4' energy: -154.876 flat angles P-C4'-P energy: -103.295 tors. eta vs tors. theta energy: -97.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1414.549165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.549165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.549165 (E_RNA) where: Base-Base interactions energy: -842.816 where: short stacking energy: -412.857 Base-Backbone interact. energy: -2.864 local terms energy: -568.869334 where: bonds (distance) C4'-P energy: -131.513 bonds (distance) P-C4' energy: -136.591 flat angles C4'-P-C4' energy: -136.607 flat angles P-C4'-P energy: -89.827 tors. eta vs tors. theta energy: -74.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1000.146776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.146776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.146776 (E_RNA) where: Base-Base interactions energy: -530.258 where: short stacking energy: -293.604 Base-Backbone interact. energy: -2.189 local terms energy: -467.700036 where: bonds (distance) C4'-P energy: -141.209 bonds (distance) P-C4' energy: -120.733 flat angles C4'-P-C4' energy: -106.353 flat angles P-C4'-P energy: -81.834 tors. eta vs tors. theta energy: -17.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -779.003016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.003016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.003016 (E_RNA) where: Base-Base interactions energy: -343.026 where: short stacking energy: -230.247 Base-Backbone interact. energy: -2.282 local terms energy: -433.695144 where: bonds (distance) C4'-P energy: -138.813 bonds (distance) P-C4' energy: -135.847 flat angles C4'-P-C4' energy: -111.067 flat angles P-C4'-P energy: -62.194 tors. eta vs tors. theta energy: 14.226 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: 7 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2762.476008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.476008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.476008 (E_RNA) where: Base-Base interactions energy: -1885.344 where: short stacking energy: -805.043 Base-Backbone interact. energy: -5.821 local terms energy: -871.310667 where: bonds (distance) C4'-P energy: -164.518 bonds (distance) P-C4' energy: -174.105 flat angles C4'-P-C4' energy: -190.420 flat angles P-C4'-P energy: -125.580 tors. eta vs tors. theta energy: -216.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2667.805385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.805385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.805385 (E_RNA) where: Base-Base interactions energy: -1786.996 where: short stacking energy: -785.376 Base-Backbone interact. energy: -4.066 local terms energy: -876.742976 where: bonds (distance) C4'-P energy: -168.956 bonds (distance) P-C4' energy: -172.746 flat angles C4'-P-C4' energy: -174.887 flat angles P-C4'-P energy: -134.274 tors. eta vs tors. theta energy: -225.880 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: 3, replica: 10 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2478.328585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.328585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.328585 (E_RNA) where: Base-Base interactions energy: -1673.604 where: short stacking energy: -763.176 Base-Backbone interact. energy: -5.324 local terms energy: -799.400527 where: bonds (distance) C4'-P energy: -146.626 bonds (distance) P-C4' energy: -141.835 flat angles C4'-P-C4' energy: -176.440 flat angles P-C4'-P energy: -113.563 tors. eta vs tors. theta energy: -220.936 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: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2341.956549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.956549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.956549 (E_RNA) where: Base-Base interactions energy: -1585.784 where: short stacking energy: -654.298 Base-Backbone interact. energy: -0.311 local terms energy: -755.860892 where: bonds (distance) C4'-P energy: -163.265 bonds (distance) P-C4' energy: -144.455 flat angles C4'-P-C4' energy: -159.351 flat angles P-C4'-P energy: -116.672 tors. eta vs tors. theta energy: -172.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2235.908976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.908976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.908976 (E_RNA) where: Base-Base interactions energy: -1523.122 where: short stacking energy: -661.328 Base-Backbone interact. energy: -0.017 local terms energy: -712.769514 where: bonds (distance) C4'-P energy: -133.959 bonds (distance) P-C4' energy: -142.210 flat angles C4'-P-C4' energy: -141.570 flat angles P-C4'-P energy: -109.524 tors. eta vs tors. theta energy: -185.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2076.838397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.838397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.838397 (E_RNA) where: Base-Base interactions energy: -1367.902 where: short stacking energy: -602.015 Base-Backbone interact. energy: -1.073 local terms energy: -707.863495 where: bonds (distance) C4'-P energy: -144.730 bonds (distance) P-C4' energy: -150.308 flat angles C4'-P-C4' energy: -155.361 flat angles P-C4'-P energy: -99.802 tors. eta vs tors. theta energy: -157.662 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: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1762.569679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.569679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.569679 (E_RNA) where: Base-Base interactions energy: -1155.389 where: short stacking energy: -501.751 Base-Backbone interact. energy: -1.625 local terms energy: -605.555031 where: bonds (distance) C4'-P energy: -131.687 bonds (distance) P-C4' energy: -143.638 flat angles C4'-P-C4' energy: -130.211 flat angles P-C4'-P energy: -88.851 tors. eta vs tors. theta energy: -111.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1366.194121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.194121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.194121 (E_RNA) where: Base-Base interactions energy: -808.703 where: short stacking energy: -356.983 Base-Backbone interact. energy: -3.624 local terms energy: -553.867226 where: bonds (distance) C4'-P energy: -131.508 bonds (distance) P-C4' energy: -133.929 flat angles C4'-P-C4' energy: -143.227 flat angles P-C4'-P energy: -91.445 tors. eta vs tors. theta energy: -53.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -991.065855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.065855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.065855 (E_RNA) where: Base-Base interactions energy: -506.753 where: short stacking energy: -279.794 Base-Backbone interact. energy: -2.157 local terms energy: -482.156162 where: bonds (distance) C4'-P energy: -126.563 bonds (distance) P-C4' energy: -135.447 flat angles C4'-P-C4' energy: -128.007 flat angles P-C4'-P energy: -66.850 tors. eta vs tors. theta energy: -25.289 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: 6 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -760.909553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.909553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.909553 (E_RNA) where: Base-Base interactions energy: -321.777 where: short stacking energy: -192.395 Base-Backbone interact. energy: 1.785 local terms energy: -440.917614 where: bonds (distance) C4'-P energy: -129.187 bonds (distance) P-C4' energy: -140.842 flat angles C4'-P-C4' energy: -132.003 flat angles P-C4'-P energy: -58.290 tors. eta vs tors. theta energy: 19.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2715.983091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.983091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.983091 (E_RNA) where: Base-Base interactions energy: -1853.948 where: short stacking energy: -785.434 Base-Backbone interact. energy: -3.942 local terms energy: -858.092761 where: bonds (distance) C4'-P energy: -161.388 bonds (distance) P-C4' energy: -162.573 flat angles C4'-P-C4' energy: -186.243 flat angles P-C4'-P energy: -125.801 tors. eta vs tors. theta energy: -222.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2673.836709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.836709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.836709 (E_RNA) where: Base-Base interactions energy: -1851.683 where: short stacking energy: -805.115 Base-Backbone interact. energy: -2.092 local terms energy: -820.061394 where: bonds (distance) C4'-P energy: -146.772 bonds (distance) P-C4' energy: -156.539 flat angles C4'-P-C4' energy: -173.563 flat angles P-C4'-P energy: -112.113 tors. eta vs tors. theta energy: -231.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2492.998347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.998347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.998347 (E_RNA) where: Base-Base interactions energy: -1676.563 where: short stacking energy: -744.856 Base-Backbone interact. energy: -6.943 local terms energy: -809.492862 where: bonds (distance) C4'-P energy: -151.582 bonds (distance) P-C4' energy: -145.779 flat angles C4'-P-C4' energy: -174.478 flat angles P-C4'-P energy: -122.247 tors. eta vs tors. theta energy: -215.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2366.007886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.007886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.007886 (E_RNA) where: Base-Base interactions energy: -1609.303 where: short stacking energy: -714.835 Base-Backbone interact. energy: -3.383 local terms energy: -753.321873 where: bonds (distance) C4'-P energy: -137.411 bonds (distance) P-C4' energy: -151.686 flat angles C4'-P-C4' energy: -165.410 flat angles P-C4'-P energy: -106.146 tors. eta vs tors. theta energy: -192.669 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: 5 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2207.888638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.888638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.888638 (E_RNA) where: Base-Base interactions energy: -1468.044 where: short stacking energy: -641.662 Base-Backbone interact. energy: -0.733 local terms energy: -739.111547 where: bonds (distance) C4'-P energy: -134.469 bonds (distance) P-C4' energy: -137.678 flat angles C4'-P-C4' energy: -169.901 flat angles P-C4'-P energy: -114.122 tors. eta vs tors. theta energy: -182.942 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: 6, replica: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2039.432946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.432946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.432946 (E_RNA) where: Base-Base interactions energy: -1348.576 where: short stacking energy: -611.995 Base-Backbone interact. energy: -2.985 local terms energy: -687.871074 where: bonds (distance) C4'-P energy: -116.318 bonds (distance) P-C4' energy: -150.147 flat angles C4'-P-C4' energy: -162.331 flat angles P-C4'-P energy: -107.283 tors. eta vs tors. theta energy: -151.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1801.812005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.812005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.812005 (E_RNA) where: Base-Base interactions energy: -1147.203 where: short stacking energy: -496.794 Base-Backbone interact. energy: -1.624 local terms energy: -652.984822 where: bonds (distance) C4'-P energy: -141.115 bonds (distance) P-C4' energy: -143.426 flat angles C4'-P-C4' energy: -150.151 flat angles P-C4'-P energy: -95.031 tors. eta vs tors. theta energy: -123.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1348.315557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.315557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.315557 (E_RNA) where: Base-Base interactions energy: -809.670 where: short stacking energy: -394.026 Base-Backbone interact. energy: -2.044 local terms energy: -536.601840 where: bonds (distance) C4'-P energy: -118.690 bonds (distance) P-C4' energy: -133.553 flat angles C4'-P-C4' energy: -145.961 flat angles P-C4'-P energy: -80.628 tors. eta vs tors. theta energy: -57.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1105.896613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.896613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.896613 (E_RNA) where: Base-Base interactions energy: -619.681 where: short stacking energy: -331.327 Base-Backbone interact. energy: -0.648 local terms energy: -485.567925 where: bonds (distance) C4'-P energy: -138.037 bonds (distance) P-C4' energy: -132.218 flat angles C4'-P-C4' energy: -132.727 flat angles P-C4'-P energy: -64.958 tors. eta vs tors. theta energy: -17.628 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: 10, replica: 6 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -718.226198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.226198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.226198 (E_RNA) where: Base-Base interactions energy: -306.128 where: short stacking energy: -188.931 Base-Backbone interact. energy: 7.592 local terms energy: -419.689665 where: bonds (distance) C4'-P energy: -129.688 bonds (distance) P-C4' energy: -147.122 flat angles C4'-P-C4' energy: -109.520 flat angles P-C4'-P energy: -64.513 tors. eta vs tors. theta energy: 31.153 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: 7 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2724.028559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.028559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.028559 (E_RNA) where: Base-Base interactions energy: -1878.497 where: short stacking energy: -812.700 Base-Backbone interact. energy: -1.227 local terms energy: -844.304028 where: bonds (distance) C4'-P energy: -171.298 bonds (distance) P-C4' energy: -160.724 flat angles C4'-P-C4' energy: -174.915 flat angles P-C4'-P energy: -109.216 tors. eta vs tors. theta energy: -228.152 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: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2711.357450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.357450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.357450 (E_RNA) where: Base-Base interactions energy: -1843.309 where: short stacking energy: -809.716 Base-Backbone interact. energy: -4.630 local terms energy: -863.418716 where: bonds (distance) C4'-P energy: -164.092 bonds (distance) P-C4' energy: -149.939 flat angles C4'-P-C4' energy: -179.111 flat angles P-C4'-P energy: -125.886 tors. eta vs tors. theta energy: -244.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2468.687881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.687881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.687881 (E_RNA) where: Base-Base interactions energy: -1650.327 where: short stacking energy: -746.603 Base-Backbone interact. energy: -1.996 local terms energy: -816.364651 where: bonds (distance) C4'-P energy: -150.959 bonds (distance) P-C4' energy: -163.240 flat angles C4'-P-C4' energy: -177.958 flat angles P-C4'-P energy: -121.663 tors. eta vs tors. theta energy: -202.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2343.827132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.827132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.827132 (E_RNA) where: Base-Base interactions energy: -1591.907 where: short stacking energy: -694.579 Base-Backbone interact. energy: 1.433 local terms energy: -753.352620 where: bonds (distance) C4'-P energy: -149.711 bonds (distance) P-C4' energy: -162.657 flat angles C4'-P-C4' energy: -153.942 flat angles P-C4'-P energy: -90.601 tors. eta vs tors. theta energy: -196.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2206.806568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.806568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.806568 (E_RNA) where: Base-Base interactions energy: -1486.797 where: short stacking energy: -663.004 Base-Backbone interact. energy: -5.791 local terms energy: -714.218409 where: bonds (distance) C4'-P energy: -134.431 bonds (distance) P-C4' energy: -146.307 flat angles C4'-P-C4' energy: -163.084 flat angles P-C4'-P energy: -95.887 tors. eta vs tors. theta energy: -174.508 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: 6, replica: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2096.736204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.736204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.736204 (E_RNA) where: Base-Base interactions energy: -1385.765 where: short stacking energy: -571.061 Base-Backbone interact. energy: -4.041 local terms energy: -706.930281 where: bonds (distance) C4'-P energy: -129.821 bonds (distance) P-C4' energy: -162.023 flat angles C4'-P-C4' energy: -147.909 flat angles P-C4'-P energy: -109.034 tors. eta vs tors. theta energy: -158.143 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: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1811.674231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.674231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.674231 (E_RNA) where: Base-Base interactions energy: -1191.361 where: short stacking energy: -511.886 Base-Backbone interact. energy: -3.243 local terms energy: -617.069408 where: bonds (distance) C4'-P energy: -124.686 bonds (distance) P-C4' energy: -149.171 flat angles C4'-P-C4' energy: -145.428 flat angles P-C4'-P energy: -85.545 tors. eta vs tors. theta energy: -112.239 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: 8, replica: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1352.516637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.516637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.516637 (E_RNA) where: Base-Base interactions energy: -807.759 where: short stacking energy: -374.217 Base-Backbone interact. energy: -3.172 local terms energy: -541.586120 where: bonds (distance) C4'-P energy: -139.284 bonds (distance) P-C4' energy: -155.505 flat angles C4'-P-C4' energy: -125.059 flat angles P-C4'-P energy: -67.900 tors. eta vs tors. theta energy: -53.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1033.947314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.947314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.947314 (E_RNA) where: Base-Base interactions energy: -574.304 where: short stacking energy: -300.026 Base-Backbone interact. energy: 2.511 local terms energy: -462.154464 where: bonds (distance) C4'-P energy: -121.761 bonds (distance) P-C4' energy: -123.217 flat angles C4'-P-C4' energy: -122.134 flat angles P-C4'-P energy: -71.102 tors. eta vs tors. theta energy: -23.939 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: 6 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -717.447826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.447826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.447826 (E_RNA) where: Base-Base interactions energy: -335.014 where: short stacking energy: -193.280 Base-Backbone interact. energy: -4.885 local terms energy: -377.548508 where: bonds (distance) C4'-P energy: -83.737 bonds (distance) P-C4' energy: -133.550 flat angles C4'-P-C4' energy: -105.738 flat angles P-C4'-P energy: -69.677 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: 7 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2744.147115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.147115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.147115 (E_RNA) where: Base-Base interactions energy: -1883.546 where: short stacking energy: -799.023 Base-Backbone interact. energy: 0.715 local terms energy: -861.316236 where: bonds (distance) C4'-P energy: -164.496 bonds (distance) P-C4' energy: -169.034 flat angles C4'-P-C4' energy: -181.522 flat angles P-C4'-P energy: -124.182 tors. eta vs tors. theta energy: -222.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2656.445709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.445709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.445709 (E_RNA) where: Base-Base interactions energy: -1787.329 where: short stacking energy: -760.555 Base-Backbone interact. energy: -0.983 local terms energy: -868.134048 where: bonds (distance) C4'-P energy: -154.964 bonds (distance) P-C4' energy: -157.632 flat angles C4'-P-C4' energy: -182.230 flat angles P-C4'-P energy: -135.133 tors. eta vs tors. theta energy: -238.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2425.620502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.620502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.620502 (E_RNA) where: Base-Base interactions energy: -1615.710 where: short stacking energy: -707.725 Base-Backbone interact. energy: 0.263 local terms energy: -810.174054 where: bonds (distance) C4'-P energy: -153.284 bonds (distance) P-C4' energy: -148.727 flat angles C4'-P-C4' energy: -179.064 flat angles P-C4'-P energy: -118.303 tors. eta vs tors. theta energy: -210.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2364.643526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.643526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.643526 (E_RNA) where: Base-Base interactions energy: -1602.385 where: short stacking energy: -701.631 Base-Backbone interact. energy: 4.705 local terms energy: -766.964041 where: bonds (distance) C4'-P energy: -169.286 bonds (distance) P-C4' energy: -128.513 flat angles C4'-P-C4' energy: -168.096 flat angles P-C4'-P energy: -103.441 tors. eta vs tors. theta energy: -197.627 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: 5 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2229.073966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.073966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.073966 (E_RNA) where: Base-Base interactions energy: -1502.906 where: short stacking energy: -611.594 Base-Backbone interact. energy: 2.194 local terms energy: -728.361512 where: bonds (distance) C4'-P energy: -152.367 bonds (distance) P-C4' energy: -137.290 flat angles C4'-P-C4' energy: -164.078 flat angles P-C4'-P energy: -113.356 tors. eta vs tors. theta energy: -161.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2069.110537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.110537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.110537 (E_RNA) where: Base-Base interactions energy: -1358.396 where: short stacking energy: -592.322 Base-Backbone interact. energy: 0.728 local terms energy: -711.442875 where: bonds (distance) C4'-P energy: -148.502 bonds (distance) P-C4' energy: -150.554 flat angles C4'-P-C4' energy: -162.597 flat angles P-C4'-P energy: -97.819 tors. eta vs tors. theta energy: -151.971 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: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1828.466669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.466669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.466669 (E_RNA) where: Base-Base interactions energy: -1181.795 where: short stacking energy: -524.467 Base-Backbone interact. energy: -2.996 local terms energy: -643.675613 where: bonds (distance) C4'-P energy: -151.485 bonds (distance) P-C4' energy: -157.008 flat angles C4'-P-C4' energy: -136.022 flat angles P-C4'-P energy: -74.119 tors. eta vs tors. theta energy: -125.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1479.047845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.047845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.047845 (E_RNA) where: Base-Base interactions energy: -903.156 where: short stacking energy: -400.328 Base-Backbone interact. energy: -0.009 local terms energy: -575.882623 where: bonds (distance) C4'-P energy: -148.133 bonds (distance) P-C4' energy: -137.338 flat angles C4'-P-C4' energy: -127.663 flat angles P-C4'-P energy: -87.692 tors. eta vs tors. theta energy: -75.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -972.522759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.522759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.522759 (E_RNA) where: Base-Base interactions energy: -467.596 where: short stacking energy: -249.170 Base-Backbone interact. energy: -1.367 local terms energy: -503.559105 where: bonds (distance) C4'-P energy: -138.289 bonds (distance) P-C4' energy: -154.178 flat angles C4'-P-C4' energy: -128.887 flat angles P-C4'-P energy: -81.340 tors. eta vs tors. theta energy: -0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -722.529367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.529367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.529367 (E_RNA) where: Base-Base interactions energy: -297.431 where: short stacking energy: -194.059 Base-Backbone interact. energy: 1.637 local terms energy: -426.735133 where: bonds (distance) C4'-P energy: -150.918 bonds (distance) P-C4' energy: -124.155 flat angles C4'-P-C4' energy: -117.682 flat angles P-C4'-P energy: -52.658 tors. eta vs tors. theta energy: 18.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2724.036524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.036524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.036524 (E_RNA) where: Base-Base interactions energy: -1872.414 where: short stacking energy: -771.771 Base-Backbone interact. energy: -3.348 local terms energy: -848.274958 where: bonds (distance) C4'-P energy: -156.571 bonds (distance) P-C4' energy: -164.325 flat angles C4'-P-C4' energy: -182.699 flat angles P-C4'-P energy: -122.747 tors. eta vs tors. theta energy: -221.933 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: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2665.982067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.982067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.982067 (E_RNA) where: Base-Base interactions energy: -1819.605 where: short stacking energy: -772.689 Base-Backbone interact. energy: -1.223 local terms energy: -845.153451 where: bonds (distance) C4'-P energy: -164.331 bonds (distance) P-C4' energy: -161.733 flat angles C4'-P-C4' energy: -179.401 flat angles P-C4'-P energy: -112.401 tors. eta vs tors. theta energy: -227.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2504.346026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.346026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.346026 (E_RNA) where: Base-Base interactions energy: -1663.010 where: short stacking energy: -750.551 Base-Backbone interact. energy: 5.100 local terms energy: -846.436788 where: bonds (distance) C4'-P energy: -157.589 bonds (distance) P-C4' energy: -164.564 flat angles C4'-P-C4' energy: -181.817 flat angles P-C4'-P energy: -123.282 tors. eta vs tors. theta energy: -219.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2334.925630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.925630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.925630 (E_RNA) where: Base-Base interactions energy: -1549.035 where: short stacking energy: -668.783 Base-Backbone interact. energy: -3.357 local terms energy: -782.533649 where: bonds (distance) C4'-P energy: -144.650 bonds (distance) P-C4' energy: -161.527 flat angles C4'-P-C4' energy: -171.962 flat angles P-C4'-P energy: -103.655 tors. eta vs tors. theta energy: -200.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2192.471648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.471648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.471648 (E_RNA) where: Base-Base interactions energy: -1472.561 where: short stacking energy: -631.301 Base-Backbone interact. energy: -4.227 local terms energy: -715.683609 where: bonds (distance) C4'-P energy: -150.385 bonds (distance) P-C4' energy: -152.615 flat angles C4'-P-C4' energy: -152.742 flat angles P-C4'-P energy: -104.907 tors. eta vs tors. theta energy: -155.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2054.980125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.980125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.980125 (E_RNA) where: Base-Base interactions energy: -1321.295 where: short stacking energy: -564.814 Base-Backbone interact. energy: -1.832 local terms energy: -731.853243 where: bonds (distance) C4'-P energy: -157.961 bonds (distance) P-C4' energy: -146.052 flat angles C4'-P-C4' energy: -170.464 flat angles P-C4'-P energy: -103.708 tors. eta vs tors. theta energy: -153.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1791.631335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.631335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.631335 (E_RNA) where: Base-Base interactions energy: -1180.131 where: short stacking energy: -491.350 Base-Backbone interact. energy: -2.170 local terms energy: -609.329827 where: bonds (distance) C4'-P energy: -134.116 bonds (distance) P-C4' energy: -138.742 flat angles C4'-P-C4' energy: -151.331 flat angles P-C4'-P energy: -77.887 tors. eta vs tors. theta energy: -107.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1365.968411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.968411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.968411 (E_RNA) where: Base-Base interactions energy: -843.701 where: short stacking energy: -371.470 Base-Backbone interact. energy: -0.771 local terms energy: -521.496927 where: bonds (distance) C4'-P energy: -124.870 bonds (distance) P-C4' energy: -133.263 flat angles C4'-P-C4' energy: -131.238 flat angles P-C4'-P energy: -88.263 tors. eta vs tors. theta energy: -43.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -968.724178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.724178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.724178 (E_RNA) where: Base-Base interactions energy: -493.946 where: short stacking energy: -300.581 Base-Backbone interact. energy: 1.810 local terms energy: -476.588334 where: bonds (distance) C4'-P energy: -109.280 bonds (distance) P-C4' energy: -146.682 flat angles C4'-P-C4' energy: -114.520 flat angles P-C4'-P energy: -79.204 tors. eta vs tors. theta energy: -26.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -739.904827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.904827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.904827 (E_RNA) where: Base-Base interactions energy: -323.141 where: short stacking energy: -222.826 Base-Backbone interact. energy: -1.068 local terms energy: -415.695331 where: bonds (distance) C4'-P energy: -116.092 bonds (distance) P-C4' energy: -146.014 flat angles C4'-P-C4' energy: -117.260 flat angles P-C4'-P energy: -43.909 tors. eta vs tors. theta energy: 7.579 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: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2716.050735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.050735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.050735 (E_RNA) where: Base-Base interactions energy: -1870.177 where: short stacking energy: -785.236 Base-Backbone interact. energy: -2.498 local terms energy: -843.374942 where: bonds (distance) C4'-P energy: -144.430 bonds (distance) P-C4' energy: -160.135 flat angles C4'-P-C4' energy: -198.542 flat angles P-C4'-P energy: -124.903 tors. eta vs tors. theta energy: -215.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2733.829460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.829460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.829460 (E_RNA) where: Base-Base interactions energy: -1843.952 where: short stacking energy: -830.628 Base-Backbone interact. energy: -0.085 local terms energy: -889.792169 where: bonds (distance) C4'-P energy: -164.908 bonds (distance) P-C4' energy: -166.095 flat angles C4'-P-C4' energy: -184.058 flat angles P-C4'-P energy: -129.837 tors. eta vs tors. theta energy: -244.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2474.478380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.478380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.478380 (E_RNA) where: Base-Base interactions energy: -1637.696 where: short stacking energy: -738.338 Base-Backbone interact. energy: -5.115 local terms energy: -831.666625 where: bonds (distance) C4'-P energy: -171.649 bonds (distance) P-C4' energy: -152.139 flat angles C4'-P-C4' energy: -177.459 flat angles P-C4'-P energy: -111.548 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: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2315.009295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.009295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.009295 (E_RNA) where: Base-Base interactions energy: -1541.652 where: short stacking energy: -656.709 Base-Backbone interact. energy: -1.721 local terms energy: -771.635815 where: bonds (distance) C4'-P energy: -152.731 bonds (distance) P-C4' energy: -162.488 flat angles C4'-P-C4' energy: -174.111 flat angles P-C4'-P energy: -105.121 tors. eta vs tors. theta energy: -177.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2226.507593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.507593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.507593 (E_RNA) where: Base-Base interactions energy: -1505.032 where: short stacking energy: -651.029 Base-Backbone interact. energy: -3.733 local terms energy: -717.742482 where: bonds (distance) C4'-P energy: -131.044 bonds (distance) P-C4' energy: -148.273 flat angles C4'-P-C4' energy: -159.876 flat angles P-C4'-P energy: -100.778 tors. eta vs tors. theta energy: -177.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2077.111706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.111706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.111706 (E_RNA) where: Base-Base interactions energy: -1396.865 where: short stacking energy: -588.280 Base-Backbone interact. energy: -5.275 local terms energy: -674.971446 where: bonds (distance) C4'-P energy: -142.938 bonds (distance) P-C4' energy: -139.331 flat angles C4'-P-C4' energy: -159.266 flat angles P-C4'-P energy: -85.732 tors. eta vs tors. theta energy: -147.703 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: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1794.164931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.164931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.164931 (E_RNA) where: Base-Base interactions energy: -1207.377 where: short stacking energy: -538.434 Base-Backbone interact. energy: 6.681 local terms energy: -593.469382 where: bonds (distance) C4'-P energy: -111.895 bonds (distance) P-C4' energy: -135.089 flat angles C4'-P-C4' energy: -149.182 flat angles P-C4'-P energy: -82.117 tors. eta vs tors. theta energy: -115.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1467.043135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.043135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.043135 (E_RNA) where: Base-Base interactions energy: -930.969 where: short stacking energy: -428.702 Base-Backbone interact. energy: 4.744 local terms energy: -540.817929 where: bonds (distance) C4'-P energy: -128.706 bonds (distance) P-C4' energy: -132.743 flat angles C4'-P-C4' energy: -147.004 flat angles P-C4'-P energy: -71.312 tors. eta vs tors. theta energy: -61.053 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: 158 Temperature: 1.300000 Total energy: -945.519593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.519593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.519593 (E_RNA) where: Base-Base interactions energy: -509.454 where: short stacking energy: -273.298 Base-Backbone interact. energy: 3.572 local terms energy: -439.637780 where: bonds (distance) C4'-P energy: -120.082 bonds (distance) P-C4' energy: -135.122 flat angles C4'-P-C4' energy: -125.802 flat angles P-C4'-P energy: -64.669 tors. eta vs tors. theta energy: 6.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -804.735475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.735475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.735475 (E_RNA) where: Base-Base interactions energy: -374.280 where: short stacking energy: -249.310 Base-Backbone interact. energy: 10.728 local terms energy: -441.182567 where: bonds (distance) C4'-P energy: -98.181 bonds (distance) P-C4' energy: -132.302 flat angles C4'-P-C4' energy: -124.059 flat angles P-C4'-P energy: -61.139 tors. eta vs tors. theta energy: -25.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2750.629128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.629128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.629128 (E_RNA) where: Base-Base interactions energy: -1904.212 where: short stacking energy: -790.950 Base-Backbone interact. energy: -2.596 local terms energy: -843.821252 where: bonds (distance) C4'-P energy: -162.377 bonds (distance) P-C4' energy: -154.430 flat angles C4'-P-C4' energy: -193.884 flat angles P-C4'-P energy: -107.078 tors. eta vs tors. theta energy: -226.052 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: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2754.367005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.367005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.367005 (E_RNA) where: Base-Base interactions energy: -1873.939 where: short stacking energy: -811.999 Base-Backbone interact. energy: -1.487 local terms energy: -878.941761 where: bonds (distance) C4'-P energy: -166.394 bonds (distance) P-C4' energy: -161.319 flat angles C4'-P-C4' energy: -185.138 flat angles P-C4'-P energy: -122.509 tors. eta vs tors. theta energy: -243.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2468.364620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.364620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.364620 (E_RNA) where: Base-Base interactions energy: -1654.285 where: short stacking energy: -754.806 Base-Backbone interact. energy: -3.666 local terms energy: -810.413990 where: bonds (distance) C4'-P energy: -155.338 bonds (distance) P-C4' energy: -146.880 flat angles C4'-P-C4' energy: -190.459 flat angles P-C4'-P energy: -103.827 tors. eta vs tors. theta energy: -213.910 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: 159 Temperature: 1.050000 Total energy: -2343.171657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.171657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.171657 (E_RNA) where: Base-Base interactions energy: -1578.056 where: short stacking energy: -650.117 Base-Backbone interact. energy: -1.495 local terms energy: -763.620750 where: bonds (distance) C4'-P energy: -164.078 bonds (distance) P-C4' energy: -161.940 flat angles C4'-P-C4' energy: -166.013 flat angles P-C4'-P energy: -105.097 tors. eta vs tors. theta energy: -166.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2189.896227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.896227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.896227 (E_RNA) where: Base-Base interactions energy: -1500.017 where: short stacking energy: -614.440 Base-Backbone interact. energy: 1.896 local terms energy: -691.774770 where: bonds (distance) C4'-P energy: -131.638 bonds (distance) P-C4' energy: -146.598 flat angles C4'-P-C4' energy: -162.093 flat angles P-C4'-P energy: -104.519 tors. eta vs tors. theta energy: -146.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2037.774917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.774917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.774917 (E_RNA) where: Base-Base interactions energy: -1372.006 where: short stacking energy: -590.190 Base-Backbone interact. energy: -4.471 local terms energy: -661.298092 where: bonds (distance) C4'-P energy: -114.419 bonds (distance) P-C4' energy: -141.825 flat angles C4'-P-C4' energy: -153.854 flat angles P-C4'-P energy: -95.482 tors. eta vs tors. theta energy: -155.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1737.434884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.434884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.434884 (E_RNA) where: Base-Base interactions energy: -1118.674 where: short stacking energy: -511.523 Base-Backbone interact. energy: -3.106 local terms energy: -615.654528 where: bonds (distance) C4'-P energy: -146.962 bonds (distance) P-C4' energy: -149.191 flat angles C4'-P-C4' energy: -134.272 flat angles P-C4'-P energy: -82.993 tors. eta vs tors. theta energy: -102.236 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: 8, replica: 4 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1420.658729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.658729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.658729 (E_RNA) where: Base-Base interactions energy: -845.712 where: short stacking energy: -397.962 Base-Backbone interact. energy: -5.728 local terms energy: -569.219240 where: bonds (distance) C4'-P energy: -130.469 bonds (distance) P-C4' energy: -143.773 flat angles C4'-P-C4' energy: -143.279 flat angles P-C4'-P energy: -89.271 tors. eta vs tors. theta energy: -62.428 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: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1011.819264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.819264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.819264 (E_RNA) where: Base-Base interactions energy: -501.662 where: short stacking energy: -273.848 Base-Backbone interact. energy: -2.311 local terms energy: -507.846098 where: bonds (distance) C4'-P energy: -131.903 bonds (distance) P-C4' energy: -149.574 flat angles C4'-P-C4' energy: -127.710 flat angles P-C4'-P energy: -83.263 tors. eta vs tors. theta energy: -15.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -778.441727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.441727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.441727 (E_RNA) where: Base-Base interactions energy: -366.868 where: short stacking energy: -233.936 Base-Backbone interact. energy: 4.117 local terms energy: -415.690601 where: bonds (distance) C4'-P energy: -120.552 bonds (distance) P-C4' energy: -132.433 flat angles C4'-P-C4' energy: -117.786 flat angles P-C4'-P energy: -54.399 tors. eta vs tors. theta energy: 9.480 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: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2807.134133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.134133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.134133 (E_RNA) where: Base-Base interactions energy: -1882.108 where: short stacking energy: -832.446 Base-Backbone interact. energy: -4.233 local terms energy: -920.793274 where: bonds (distance) C4'-P energy: -168.982 bonds (distance) P-C4' energy: -182.594 flat angles C4'-P-C4' energy: -194.417 flat angles P-C4'-P energy: -126.297 tors. eta vs tors. theta energy: -248.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2658.723339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.723339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.723339 (E_RNA) where: Base-Base interactions energy: -1811.673 where: short stacking energy: -773.015 Base-Backbone interact. energy: -5.443 local terms energy: -841.607459 where: bonds (distance) C4'-P energy: -154.845 bonds (distance) P-C4' energy: -174.432 flat angles C4'-P-C4' energy: -183.043 flat angles P-C4'-P energy: -110.028 tors. eta vs tors. theta energy: -219.260 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: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2485.833655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.833655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.833655 (E_RNA) where: Base-Base interactions energy: -1640.545 where: short stacking energy: -738.112 Base-Backbone interact. energy: -2.485 local terms energy: -842.803464 where: bonds (distance) C4'-P energy: -166.940 bonds (distance) P-C4' energy: -156.084 flat angles C4'-P-C4' energy: -181.880 flat angles P-C4'-P energy: -126.827 tors. eta vs tors. theta energy: -211.072 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: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2340.054090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.054090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.054090 (E_RNA) where: Base-Base interactions energy: -1575.482 where: short stacking energy: -694.160 Base-Backbone interact. energy: -0.455 local terms energy: -764.116862 where: bonds (distance) C4'-P energy: -151.068 bonds (distance) P-C4' energy: -141.602 flat angles C4'-P-C4' energy: -170.187 flat angles P-C4'-P energy: -102.003 tors. eta vs tors. theta energy: -199.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2214.169082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.169082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.169082 (E_RNA) where: Base-Base interactions energy: -1473.681 where: short stacking energy: -621.227 Base-Backbone interact. energy: 3.522 local terms energy: -744.010463 where: bonds (distance) C4'-P energy: -134.905 bonds (distance) P-C4' energy: -166.332 flat angles C4'-P-C4' energy: -167.684 flat angles P-C4'-P energy: -91.067 tors. eta vs tors. theta energy: -184.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2172.345808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.345808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.345808 (E_RNA) where: Base-Base interactions energy: -1476.875 where: short stacking energy: -633.024 Base-Backbone interact. energy: -3.393 local terms energy: -692.077628 where: bonds (distance) C4'-P energy: -107.089 bonds (distance) P-C4' energy: -162.032 flat angles C4'-P-C4' energy: -162.201 flat angles P-C4'-P energy: -102.374 tors. eta vs tors. theta energy: -158.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1701.051375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.051375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.051375 (E_RNA) where: Base-Base interactions energy: -1126.201 where: short stacking energy: -482.416 Base-Backbone interact. energy: -0.483 local terms energy: -574.367663 where: bonds (distance) C4'-P energy: -122.293 bonds (distance) P-C4' energy: -143.402 flat angles C4'-P-C4' energy: -142.750 flat angles P-C4'-P energy: -80.169 tors. eta vs tors. theta energy: -85.754 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: 8, replica: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1293.980993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.980993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.980993 (E_RNA) where: Base-Base interactions energy: -766.570 where: short stacking energy: -335.264 Base-Backbone interact. energy: 1.527 local terms energy: -528.937282 where: bonds (distance) C4'-P energy: -130.754 bonds (distance) P-C4' energy: -154.309 flat angles C4'-P-C4' energy: -132.345 flat angles P-C4'-P energy: -81.686 tors. eta vs tors. theta energy: -29.843 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: 160 Temperature: 1.300000 Total energy: -942.624531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.624531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.624531 (E_RNA) where: Base-Base interactions energy: -458.572 where: short stacking energy: -266.954 Base-Backbone interact. energy: 7.090 local terms energy: -491.142545 where: bonds (distance) C4'-P energy: -122.065 bonds (distance) P-C4' energy: -142.566 flat angles C4'-P-C4' energy: -122.524 flat angles P-C4'-P energy: -83.960 tors. eta vs tors. theta energy: -20.027 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: 6 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -769.010972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.010972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.010972 (E_RNA) where: Base-Base interactions energy: -340.702 where: short stacking energy: -206.198 Base-Backbone interact. energy: 3.819 local terms energy: -432.128168 where: bonds (distance) C4'-P energy: -133.469 bonds (distance) P-C4' energy: -151.066 flat angles C4'-P-C4' energy: -90.959 flat angles P-C4'-P energy: -62.654 tors. eta vs tors. theta energy: 6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2849.367883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.367883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.367883 (E_RNA) where: Base-Base interactions energy: -1964.421 where: short stacking energy: -864.038 Base-Backbone interact. energy: -3.029 local terms energy: -881.917372 where: bonds (distance) C4'-P energy: -167.639 bonds (distance) P-C4' energy: -144.527 flat angles C4'-P-C4' energy: -196.330 flat angles P-C4'-P energy: -123.878 tors. eta vs tors. theta energy: -249.544 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: 161 Temperature: 0.950000 Total energy: -2672.418522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.418522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.418522 (E_RNA) where: Base-Base interactions energy: -1835.960 where: short stacking energy: -759.950 Base-Backbone interact. energy: 0.946 local terms energy: -837.405273 where: bonds (distance) C4'-P energy: -168.236 bonds (distance) P-C4' energy: -157.280 flat angles C4'-P-C4' energy: -184.242 flat angles P-C4'-P energy: -106.453 tors. eta vs tors. theta energy: -221.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2474.400554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.400554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.400554 (E_RNA) where: Base-Base interactions energy: -1634.028 where: short stacking energy: -738.736 Base-Backbone interact. energy: -6.342 local terms energy: -834.030115 where: bonds (distance) C4'-P energy: -159.067 bonds (distance) P-C4' energy: -163.943 flat angles C4'-P-C4' energy: -179.933 flat angles P-C4'-P energy: -112.251 tors. eta vs tors. theta energy: -218.836 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: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2303.652844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.652844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.652844 (E_RNA) where: Base-Base interactions energy: -1539.295 where: short stacking energy: -629.895 Base-Backbone interact. energy: -5.815 local terms energy: -758.543397 where: bonds (distance) C4'-P energy: -147.045 bonds (distance) P-C4' energy: -169.890 flat angles C4'-P-C4' energy: -151.980 flat angles P-C4'-P energy: -110.974 tors. eta vs tors. theta energy: -178.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2201.457205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.457205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.457205 (E_RNA) where: Base-Base interactions energy: -1486.796 where: short stacking energy: -640.555 Base-Backbone interact. energy: -0.882 local terms energy: -713.778788 where: bonds (distance) C4'-P energy: -156.189 bonds (distance) P-C4' energy: -146.090 flat angles C4'-P-C4' energy: -158.023 flat angles P-C4'-P energy: -86.766 tors. eta vs tors. theta energy: -166.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2056.889387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.889387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.889387 (E_RNA) where: Base-Base interactions energy: -1374.356 where: short stacking energy: -574.657 Base-Backbone interact. energy: 2.603 local terms energy: -685.135977 where: bonds (distance) C4'-P energy: -121.627 bonds (distance) P-C4' energy: -145.900 flat angles C4'-P-C4' energy: -169.472 flat angles P-C4'-P energy: -95.167 tors. eta vs tors. theta energy: -152.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1700.847373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.847373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.847373 (E_RNA) where: Base-Base interactions energy: -1095.442 where: short stacking energy: -482.746 Base-Backbone interact. energy: 1.428 local terms energy: -606.832984 where: bonds (distance) C4'-P energy: -117.485 bonds (distance) P-C4' energy: -137.497 flat angles C4'-P-C4' energy: -150.098 flat angles P-C4'-P energy: -100.670 tors. eta vs tors. theta energy: -101.083 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: 4 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1378.830712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.830712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.830712 (E_RNA) where: Base-Base interactions energy: -838.161 where: short stacking energy: -395.643 Base-Backbone interact. energy: 0.368 local terms energy: -541.037790 where: bonds (distance) C4'-P energy: -125.984 bonds (distance) P-C4' energy: -121.559 flat angles C4'-P-C4' energy: -126.100 flat angles P-C4'-P energy: -87.668 tors. eta vs tors. theta energy: -79.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1025.058533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.058533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.058533 (E_RNA) where: Base-Base interactions energy: -526.482 where: short stacking energy: -305.474 Base-Backbone interact. energy: 1.493 local terms energy: -500.069451 where: bonds (distance) C4'-P energy: -140.276 bonds (distance) P-C4' energy: -135.201 flat angles C4'-P-C4' energy: -126.565 flat angles P-C4'-P energy: -72.030 tors. eta vs tors. theta energy: -25.996 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: 6 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -805.160679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.160679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.160679 (E_RNA) where: Base-Base interactions energy: -378.339 where: short stacking energy: -214.558 Base-Backbone interact. energy: 5.251 local terms energy: -432.073002 where: bonds (distance) C4'-P energy: -127.578 bonds (distance) P-C4' energy: -119.902 flat angles C4'-P-C4' energy: -123.781 flat angles P-C4'-P energy: -73.657 tors. eta vs tors. theta energy: 12.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2823.055272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.055272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.055272 (E_RNA) where: Base-Base interactions energy: -1934.688 where: short stacking energy: -826.969 Base-Backbone interact. energy: -2.665 local terms energy: -885.702103 where: bonds (distance) C4'-P energy: -159.293 bonds (distance) P-C4' energy: -165.500 flat angles C4'-P-C4' energy: -190.847 flat angles P-C4'-P energy: -124.672 tors. eta vs tors. theta energy: -245.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2701.752471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.752471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.752471 (E_RNA) where: Base-Base interactions energy: -1864.164 where: short stacking energy: -815.478 Base-Backbone interact. energy: -1.588 local terms energy: -836.000501 where: bonds (distance) C4'-P energy: -158.780 bonds (distance) P-C4' energy: -150.972 flat angles C4'-P-C4' energy: -184.587 flat angles P-C4'-P energy: -106.014 tors. eta vs tors. theta energy: -235.646 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: 10 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2455.590633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.590633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.590633 (E_RNA) where: Base-Base interactions energy: -1637.424 where: short stacking energy: -718.927 Base-Backbone interact. energy: -2.767 local terms energy: -815.399429 where: bonds (distance) C4'-P energy: -155.884 bonds (distance) P-C4' energy: -158.162 flat angles C4'-P-C4' energy: -174.153 flat angles P-C4'-P energy: -123.134 tors. eta vs tors. theta energy: -204.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2251.031723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.031723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.031723 (E_RNA) where: Base-Base interactions energy: -1510.524 where: short stacking energy: -656.035 Base-Backbone interact. energy: -2.353 local terms energy: -738.154082 where: bonds (distance) C4'-P energy: -147.265 bonds (distance) P-C4' energy: -139.168 flat angles C4'-P-C4' energy: -179.965 flat angles P-C4'-P energy: -96.813 tors. eta vs tors. theta energy: -174.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2236.637259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.637259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.637259 (E_RNA) where: Base-Base interactions energy: -1504.824 where: short stacking energy: -662.222 Base-Backbone interact. energy: -3.121 local terms energy: -728.692199 where: bonds (distance) C4'-P energy: -150.090 bonds (distance) P-C4' energy: -154.051 flat angles C4'-P-C4' energy: -151.491 flat angles P-C4'-P energy: -100.224 tors. eta vs tors. theta energy: -172.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2050.176259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.176259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.176259 (E_RNA) where: Base-Base interactions energy: -1335.165 where: short stacking energy: -569.354 Base-Backbone interact. energy: 1.990 local terms energy: -717.000615 where: bonds (distance) C4'-P energy: -148.744 bonds (distance) P-C4' energy: -161.673 flat angles C4'-P-C4' energy: -171.877 flat angles P-C4'-P energy: -101.525 tors. eta vs tors. theta energy: -133.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1737.623898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.623898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.623898 (E_RNA) where: Base-Base interactions energy: -1115.296 where: short stacking energy: -472.320 Base-Backbone interact. energy: -3.154 local terms energy: -619.173027 where: bonds (distance) C4'-P energy: -127.060 bonds (distance) P-C4' energy: -151.116 flat angles C4'-P-C4' energy: -153.877 flat angles P-C4'-P energy: -93.533 tors. eta vs tors. theta energy: -93.587 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: 4 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1373.525810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.525810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.525810 (E_RNA) where: Base-Base interactions energy: -829.975 where: short stacking energy: -384.039 Base-Backbone interact. energy: 2.073 local terms energy: -545.624386 where: bonds (distance) C4'-P energy: -138.205 bonds (distance) P-C4' energy: -149.328 flat angles C4'-P-C4' energy: -130.569 flat angles P-C4'-P energy: -71.260 tors. eta vs tors. theta energy: -56.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1048.574638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.574638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.574638 (E_RNA) where: Base-Base interactions energy: -573.027 where: short stacking energy: -317.983 Base-Backbone interact. energy: -2.580 local terms energy: -472.967256 where: bonds (distance) C4'-P energy: -110.188 bonds (distance) P-C4' energy: -101.738 flat angles C4'-P-C4' energy: -136.286 flat angles P-C4'-P energy: -96.434 tors. eta vs tors. theta energy: -28.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -771.218310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.218310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.218310 (E_RNA) where: Base-Base interactions energy: -327.219 where: short stacking energy: -218.597 Base-Backbone interact. energy: 0.837 local terms energy: -444.836657 where: bonds (distance) C4'-P energy: -123.207 bonds (distance) P-C4' energy: -136.183 flat angles C4'-P-C4' energy: -132.090 flat angles P-C4'-P energy: -65.725 tors. eta vs tors. theta energy: 12.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2833.365844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.365844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.365844 (E_RNA) where: Base-Base interactions energy: -1942.001 where: short stacking energy: -845.814 Base-Backbone interact. energy: 1.177 local terms energy: -892.542381 where: bonds (distance) C4'-P energy: -154.572 bonds (distance) P-C4' energy: -175.135 flat angles C4'-P-C4' energy: -197.544 flat angles P-C4'-P energy: -116.877 tors. eta vs tors. theta energy: -248.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2699.616052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.616052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.616052 (E_RNA) where: Base-Base interactions energy: -1860.986 where: short stacking energy: -782.577 Base-Backbone interact. energy: -1.723 local terms energy: -836.906539 where: bonds (distance) C4'-P energy: -148.294 bonds (distance) P-C4' energy: -158.587 flat angles C4'-P-C4' energy: -192.088 flat angles P-C4'-P energy: -111.769 tors. eta vs tors. theta energy: -226.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2487.492702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.492702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.492702 (E_RNA) where: Base-Base interactions energy: -1638.463 where: short stacking energy: -750.006 Base-Backbone interact. energy: -0.267 local terms energy: -848.762610 where: bonds (distance) C4'-P energy: -166.238 bonds (distance) P-C4' energy: -159.640 flat angles C4'-P-C4' energy: -178.716 flat angles P-C4'-P energy: -134.480 tors. eta vs tors. theta energy: -209.687 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: 163 Temperature: 1.050000 Total energy: -2256.409867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.409867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.409867 (E_RNA) where: Base-Base interactions energy: -1471.059 where: short stacking energy: -660.881 Base-Backbone interact. energy: 1.903 local terms energy: -787.253709 where: bonds (distance) C4'-P energy: -152.713 bonds (distance) P-C4' energy: -181.064 flat angles C4'-P-C4' energy: -179.004 flat angles P-C4'-P energy: -104.785 tors. eta vs tors. theta energy: -169.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2172.778136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.778136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.778136 (E_RNA) where: Base-Base interactions energy: -1471.072 where: short stacking energy: -621.135 Base-Backbone interact. energy: -2.067 local terms energy: -699.638527 where: bonds (distance) C4'-P energy: -128.698 bonds (distance) P-C4' energy: -137.959 flat angles C4'-P-C4' energy: -166.047 flat angles P-C4'-P energy: -98.853 tors. eta vs tors. theta energy: -168.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2029.918326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.918326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.918326 (E_RNA) where: Base-Base interactions energy: -1372.037 where: short stacking energy: -583.279 Base-Backbone interact. energy: -4.382 local terms energy: -653.500049 where: bonds (distance) C4'-P energy: -132.892 bonds (distance) P-C4' energy: -124.771 flat angles C4'-P-C4' energy: -152.698 flat angles P-C4'-P energy: -96.876 tors. eta vs tors. theta energy: -146.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1643.486051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.486051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.486051 (E_RNA) where: Base-Base interactions energy: -1038.824 where: short stacking energy: -450.497 Base-Backbone interact. energy: 0.318 local terms energy: -604.979563 where: bonds (distance) C4'-P energy: -127.715 bonds (distance) P-C4' energy: -156.286 flat angles C4'-P-C4' energy: -149.040 flat angles P-C4'-P energy: -91.409 tors. eta vs tors. theta energy: -80.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1391.724345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.724345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.724345 (E_RNA) where: Base-Base interactions energy: -848.263 where: short stacking energy: -397.187 Base-Backbone interact. energy: 1.399 local terms energy: -544.860476 where: bonds (distance) C4'-P energy: -123.379 bonds (distance) P-C4' energy: -110.507 flat angles C4'-P-C4' energy: -140.828 flat angles P-C4'-P energy: -100.882 tors. eta vs tors. theta energy: -69.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1023.294404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.294404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.294404 (E_RNA) where: Base-Base interactions energy: -557.205 where: short stacking energy: -280.932 Base-Backbone interact. energy: 8.077 local terms energy: -474.166232 where: bonds (distance) C4'-P energy: -144.814 bonds (distance) P-C4' energy: -133.139 flat angles C4'-P-C4' energy: -122.777 flat angles P-C4'-P energy: -60.706 tors. eta vs tors. theta energy: -12.731 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: 6 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -817.087717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.087717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.087717 (E_RNA) where: Base-Base interactions energy: -364.284 where: short stacking energy: -223.762 Base-Backbone interact. energy: 0.949 local terms energy: -453.752510 where: bonds (distance) C4'-P energy: -125.788 bonds (distance) P-C4' energy: -133.227 flat angles C4'-P-C4' energy: -116.610 flat angles P-C4'-P energy: -73.958 tors. eta vs tors. theta energy: -4.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2815.536353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.536353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.536353 (E_RNA) where: Base-Base interactions energy: -1943.719 where: short stacking energy: -824.492 Base-Backbone interact. energy: -4.198 local terms energy: -867.619625 where: bonds (distance) C4'-P energy: -163.473 bonds (distance) P-C4' energy: -166.074 flat angles C4'-P-C4' energy: -180.051 flat angles P-C4'-P energy: -112.969 tors. eta vs tors. theta energy: -245.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2630.346301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.346301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.346301 (E_RNA) where: Base-Base interactions energy: -1805.146 where: short stacking energy: -762.414 Base-Backbone interact. energy: 0.474 local terms energy: -825.674891 where: bonds (distance) C4'-P energy: -142.727 bonds (distance) P-C4' energy: -163.840 flat angles C4'-P-C4' energy: -191.853 flat angles P-C4'-P energy: -114.345 tors. eta vs tors. theta energy: -212.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2442.721415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.721415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.721415 (E_RNA) where: Base-Base interactions energy: -1617.646 where: short stacking energy: -705.549 Base-Backbone interact. energy: -4.887 local terms energy: -820.188918 where: bonds (distance) C4'-P energy: -151.457 bonds (distance) P-C4' energy: -160.638 flat angles C4'-P-C4' energy: -180.982 flat angles P-C4'-P energy: -117.313 tors. eta vs tors. theta energy: -209.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2295.554794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.554794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.554794 (E_RNA) where: Base-Base interactions energy: -1539.805 where: short stacking energy: -678.416 Base-Backbone interact. energy: -1.626 local terms energy: -754.124248 where: bonds (distance) C4'-P energy: -139.934 bonds (distance) P-C4' energy: -151.493 flat angles C4'-P-C4' energy: -161.645 flat angles P-C4'-P energy: -105.553 tors. eta vs tors. theta energy: -195.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2135.102157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.102157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.102157 (E_RNA) where: Base-Base interactions energy: -1448.221 where: short stacking energy: -620.483 Base-Backbone interact. energy: 4.147 local terms energy: -691.027730 where: bonds (distance) C4'-P energy: -130.267 bonds (distance) P-C4' energy: -144.635 flat angles C4'-P-C4' energy: -162.263 flat angles P-C4'-P energy: -103.403 tors. eta vs tors. theta energy: -150.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2050.994475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.994475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.994475 (E_RNA) where: Base-Base interactions energy: -1374.334 where: short stacking energy: -587.201 Base-Backbone interact. energy: -3.759 local terms energy: -672.902305 where: bonds (distance) C4'-P energy: -121.555 bonds (distance) P-C4' energy: -151.953 flat angles C4'-P-C4' energy: -138.879 flat angles P-C4'-P energy: -104.631 tors. eta vs tors. theta energy: -155.884 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: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1632.657620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.657620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.657620 (E_RNA) where: Base-Base interactions energy: -1041.769 where: short stacking energy: -450.491 Base-Backbone interact. energy: -2.034 local terms energy: -588.855188 where: bonds (distance) C4'-P energy: -142.219 bonds (distance) P-C4' energy: -142.659 flat angles C4'-P-C4' energy: -135.133 flat angles P-C4'-P energy: -98.317 tors. eta vs tors. theta energy: -70.528 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: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1312.348330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.348330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.348330 (E_RNA) where: Base-Base interactions energy: -748.195 where: short stacking energy: -354.393 Base-Backbone interact. energy: 3.596 local terms energy: -567.749156 where: bonds (distance) C4'-P energy: -138.143 bonds (distance) P-C4' energy: -142.670 flat angles C4'-P-C4' energy: -149.611 flat angles P-C4'-P energy: -82.298 tors. eta vs tors. theta energy: -55.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1147.781634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.781634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.781634 (E_RNA) where: Base-Base interactions energy: -627.188 where: short stacking energy: -314.683 Base-Backbone interact. energy: -2.439 local terms energy: -518.154414 where: bonds (distance) C4'-P energy: -129.521 bonds (distance) P-C4' energy: -145.030 flat angles C4'-P-C4' energy: -121.529 flat angles P-C4'-P energy: -93.010 tors. eta vs tors. theta energy: -29.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -869.738570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.738570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.738570 (E_RNA) where: Base-Base interactions energy: -440.076 where: short stacking energy: -248.915 Base-Backbone interact. energy: -2.765 local terms energy: -426.897291 where: bonds (distance) C4'-P energy: -125.537 bonds (distance) P-C4' energy: -122.513 flat angles C4'-P-C4' energy: -122.291 flat angles P-C4'-P energy: -56.166 tors. eta vs tors. theta energy: -0.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2850.418475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.418475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.418475 (E_RNA) where: Base-Base interactions energy: -1948.137 where: short stacking energy: -834.924 Base-Backbone interact. energy: -4.746 local terms energy: -897.535128 where: bonds (distance) C4'-P energy: -160.864 bonds (distance) P-C4' energy: -171.407 flat angles C4'-P-C4' energy: -193.254 flat angles P-C4'-P energy: -128.072 tors. eta vs tors. theta energy: -243.938 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: 7 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2642.511873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.511873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.511873 (E_RNA) where: Base-Base interactions energy: -1805.443 where: short stacking energy: -792.331 Base-Backbone interact. energy: 0.740 local terms energy: -837.808013 where: bonds (distance) C4'-P energy: -167.675 bonds (distance) P-C4' energy: -171.561 flat angles C4'-P-C4' energy: -175.107 flat angles P-C4'-P energy: -98.766 tors. eta vs tors. theta energy: -224.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2442.920622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.920622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.920622 (E_RNA) where: Base-Base interactions energy: -1619.470 where: short stacking energy: -718.963 Base-Backbone interact. energy: -4.021 local terms energy: -819.429173 where: bonds (distance) C4'-P energy: -151.267 bonds (distance) P-C4' energy: -149.867 flat angles C4'-P-C4' energy: -185.502 flat angles P-C4'-P energy: -119.270 tors. eta vs tors. theta energy: -213.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2319.072336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.072336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.072336 (E_RNA) where: Base-Base interactions energy: -1546.974 where: short stacking energy: -654.452 Base-Backbone interact. energy: 0.137 local terms energy: -772.235158 where: bonds (distance) C4'-P energy: -151.684 bonds (distance) P-C4' energy: -163.336 flat angles C4'-P-C4' energy: -163.128 flat angles P-C4'-P energy: -105.948 tors. eta vs tors. theta energy: -188.139 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: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2139.376721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.376721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.376721 (E_RNA) where: Base-Base interactions energy: -1438.261 where: short stacking energy: -599.026 Base-Backbone interact. energy: 0.553 local terms energy: -701.668743 where: bonds (distance) C4'-P energy: -133.833 bonds (distance) P-C4' energy: -154.369 flat angles C4'-P-C4' energy: -161.181 flat angles P-C4'-P energy: -98.020 tors. eta vs tors. theta energy: -154.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2037.559759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.559759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.559759 (E_RNA) where: Base-Base interactions energy: -1371.901 where: short stacking energy: -578.585 Base-Backbone interact. energy: 2.933 local terms energy: -668.591493 where: bonds (distance) C4'-P energy: -129.945 bonds (distance) P-C4' energy: -139.731 flat angles C4'-P-C4' energy: -146.312 flat angles P-C4'-P energy: -102.881 tors. eta vs tors. theta energy: -149.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1679.280691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.280691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.280691 (E_RNA) where: Base-Base interactions energy: -1097.705 where: short stacking energy: -463.456 Base-Backbone interact. energy: 2.190 local terms energy: -583.764872 where: bonds (distance) C4'-P energy: -153.473 bonds (distance) P-C4' energy: -130.287 flat angles C4'-P-C4' energy: -149.447 flat angles P-C4'-P energy: -73.323 tors. eta vs tors. theta energy: -77.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1339.870514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.870514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.870514 (E_RNA) where: Base-Base interactions energy: -765.112 where: short stacking energy: -369.481 Base-Backbone interact. energy: -2.786 local terms energy: -571.972838 where: bonds (distance) C4'-P energy: -142.078 bonds (distance) P-C4' energy: -151.981 flat angles C4'-P-C4' energy: -144.065 flat angles P-C4'-P energy: -76.992 tors. eta vs tors. theta energy: -56.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1064.471697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.471697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.471697 (E_RNA) where: Base-Base interactions energy: -584.560 where: short stacking energy: -317.273 Base-Backbone interact. energy: 2.187 local terms energy: -482.098898 where: bonds (distance) C4'-P energy: -136.371 bonds (distance) P-C4' energy: -131.130 flat angles C4'-P-C4' energy: -128.858 flat angles P-C4'-P energy: -68.299 tors. eta vs tors. theta energy: -17.441 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: 10, replica: 6 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -876.676481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.676481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.676481 (E_RNA) where: Base-Base interactions energy: -430.279 where: short stacking energy: -235.798 Base-Backbone interact. energy: -1.893 local terms energy: -444.503870 where: bonds (distance) C4'-P energy: -138.351 bonds (distance) P-C4' energy: -148.089 flat angles C4'-P-C4' energy: -94.637 flat angles P-C4'-P energy: -74.816 tors. eta vs tors. theta energy: 11.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2872.528312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.528312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.528312 (E_RNA) where: Base-Base interactions energy: -1978.955 where: short stacking energy: -857.853 Base-Backbone interact. energy: -4.707 local terms energy: -888.865417 where: bonds (distance) C4'-P energy: -164.467 bonds (distance) P-C4' energy: -158.132 flat angles C4'-P-C4' energy: -203.962 flat angles P-C4'-P energy: -113.165 tors. eta vs tors. theta energy: -249.140 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: 7 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2626.944776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.944776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.944776 (E_RNA) where: Base-Base interactions energy: -1785.219 where: short stacking energy: -778.498 Base-Backbone interact. energy: -0.451 local terms energy: -841.274561 where: bonds (distance) C4'-P energy: -154.057 bonds (distance) P-C4' energy: -152.892 flat angles C4'-P-C4' energy: -192.047 flat angles P-C4'-P energy: -122.653 tors. eta vs tors. theta energy: -219.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2425.633916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.633916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.633916 (E_RNA) where: Base-Base interactions energy: -1616.892 where: short stacking energy: -703.427 Base-Backbone interact. energy: 0.423 local terms energy: -809.165479 where: bonds (distance) C4'-P energy: -147.038 bonds (distance) P-C4' energy: -165.258 flat angles C4'-P-C4' energy: -173.642 flat angles P-C4'-P energy: -111.371 tors. eta vs tors. theta energy: -211.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2316.040275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.040275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.040275 (E_RNA) where: Base-Base interactions energy: -1516.842 where: short stacking energy: -669.526 Base-Backbone interact. energy: -1.959 local terms energy: -797.240098 where: bonds (distance) C4'-P energy: -157.181 bonds (distance) P-C4' energy: -165.863 flat angles C4'-P-C4' energy: -167.117 flat angles P-C4'-P energy: -114.927 tors. eta vs tors. theta energy: -192.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2193.030177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.030177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.030177 (E_RNA) where: Base-Base interactions energy: -1443.318 where: short stacking energy: -616.051 Base-Backbone interact. energy: -0.038 local terms energy: -749.674027 where: bonds (distance) C4'-P energy: -161.084 bonds (distance) P-C4' energy: -154.738 flat angles C4'-P-C4' energy: -159.515 flat angles P-C4'-P energy: -105.112 tors. eta vs tors. theta energy: -169.226 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: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2042.321561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.321561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.321561 (E_RNA) where: Base-Base interactions energy: -1321.161 where: short stacking energy: -580.486 Base-Backbone interact. energy: -1.663 local terms energy: -719.497064 where: bonds (distance) C4'-P energy: -152.700 bonds (distance) P-C4' energy: -159.137 flat angles C4'-P-C4' energy: -163.690 flat angles P-C4'-P energy: -97.373 tors. eta vs tors. theta energy: -146.597 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: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1698.091399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.091399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.091399 (E_RNA) where: Base-Base interactions energy: -1129.222 where: short stacking energy: -457.239 Base-Backbone interact. energy: 1.914 local terms energy: -570.784064 where: bonds (distance) C4'-P energy: -141.082 bonds (distance) P-C4' energy: -123.595 flat angles C4'-P-C4' energy: -136.231 flat angles P-C4'-P energy: -91.005 tors. eta vs tors. theta energy: -78.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1324.255053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.255053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.255053 (E_RNA) where: Base-Base interactions energy: -787.892 where: short stacking energy: -391.342 Base-Backbone interact. energy: 1.529 local terms energy: -537.892103 where: bonds (distance) C4'-P energy: -134.807 bonds (distance) P-C4' energy: -121.749 flat angles C4'-P-C4' energy: -133.121 flat angles P-C4'-P energy: -95.572 tors. eta vs tors. theta energy: -52.644 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: 9, replica: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1050.623420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.623420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.623420 (E_RNA) where: Base-Base interactions energy: -552.370 where: short stacking energy: -272.713 Base-Backbone interact. energy: 2.581 local terms energy: -500.834267 where: bonds (distance) C4'-P energy: -126.543 bonds (distance) P-C4' energy: -148.106 flat angles C4'-P-C4' energy: -130.088 flat angles P-C4'-P energy: -90.245 tors. eta vs tors. theta energy: -5.853 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: 10, replica: 6 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -925.582256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.582256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.582256 (E_RNA) where: Base-Base interactions energy: -463.494 where: short stacking energy: -242.890 Base-Backbone interact. energy: 2.113 local terms energy: -464.201154 where: bonds (distance) C4'-P energy: -123.883 bonds (distance) P-C4' energy: -154.023 flat angles C4'-P-C4' energy: -132.591 flat angles P-C4'-P energy: -63.514 tors. eta vs tors. theta energy: 9.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2821.685757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.685757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.685757 (E_RNA) where: Base-Base interactions energy: -1923.662 where: short stacking energy: -841.889 Base-Backbone interact. energy: -2.617 local terms energy: -895.406794 where: bonds (distance) C4'-P energy: -178.801 bonds (distance) P-C4' energy: -168.783 flat angles C4'-P-C4' energy: -177.489 flat angles P-C4'-P energy: -119.360 tors. eta vs tors. theta energy: -250.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2633.397594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.397594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.397594 (E_RNA) where: Base-Base interactions energy: -1810.199 where: short stacking energy: -735.724 Base-Backbone interact. energy: 1.444 local terms energy: -824.642659 where: bonds (distance) C4'-P energy: -167.204 bonds (distance) P-C4' energy: -151.638 flat angles C4'-P-C4' energy: -183.066 flat angles P-C4'-P energy: -114.847 tors. eta vs tors. theta energy: -207.888 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: 3, replica: 10 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2485.735352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.735352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.735352 (E_RNA) where: Base-Base interactions energy: -1675.850 where: short stacking energy: -759.093 Base-Backbone interact. energy: -3.259 local terms energy: -806.626682 where: bonds (distance) C4'-P energy: -151.949 bonds (distance) P-C4' energy: -154.444 flat angles C4'-P-C4' energy: -167.230 flat angles P-C4'-P energy: -106.356 tors. eta vs tors. theta energy: -226.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2371.736031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.736031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.736031 (E_RNA) where: Base-Base interactions energy: -1604.726 where: short stacking energy: -719.899 Base-Backbone interact. energy: 6.273 local terms energy: -773.283073 where: bonds (distance) C4'-P energy: -155.758 bonds (distance) P-C4' energy: -141.830 flat angles C4'-P-C4' energy: -181.015 flat angles P-C4'-P energy: -92.989 tors. eta vs tors. theta energy: -201.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2203.396801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.396801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.396801 (E_RNA) where: Base-Base interactions energy: -1464.995 where: short stacking energy: -649.494 Base-Backbone interact. energy: -2.285 local terms energy: -736.116457 where: bonds (distance) C4'-P energy: -156.272 bonds (distance) P-C4' energy: -146.315 flat angles C4'-P-C4' energy: -165.262 flat angles P-C4'-P energy: -94.768 tors. eta vs tors. theta energy: -173.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2035.135631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.135631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.135631 (E_RNA) where: Base-Base interactions energy: -1343.216 where: short stacking energy: -615.576 Base-Backbone interact. energy: 7.301 local terms energy: -699.220247 where: bonds (distance) C4'-P energy: -138.842 bonds (distance) P-C4' energy: -140.514 flat angles C4'-P-C4' energy: -153.009 flat angles P-C4'-P energy: -93.328 tors. eta vs tors. theta energy: -173.527 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: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1701.832880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.832880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.832880 (E_RNA) where: Base-Base interactions energy: -1098.423 where: short stacking energy: -478.210 Base-Backbone interact. energy: 0.405 local terms energy: -603.814654 where: bonds (distance) C4'-P energy: -147.729 bonds (distance) P-C4' energy: -138.781 flat angles C4'-P-C4' energy: -135.370 flat angles P-C4'-P energy: -95.540 tors. eta vs tors. theta energy: -86.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1392.713842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.713842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.713842 (E_RNA) where: Base-Base interactions energy: -838.801 where: short stacking energy: -422.461 Base-Backbone interact. energy: -2.193 local terms energy: -551.719444 where: bonds (distance) C4'-P energy: -133.044 bonds (distance) P-C4' energy: -151.744 flat angles C4'-P-C4' energy: -128.313 flat angles P-C4'-P energy: -76.726 tors. eta vs tors. theta energy: -61.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1083.944694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.944694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.944694 (E_RNA) where: Base-Base interactions energy: -608.586 where: short stacking energy: -284.209 Base-Backbone interact. energy: 0.171 local terms energy: -475.530010 where: bonds (distance) C4'-P energy: -126.276 bonds (distance) P-C4' energy: -118.456 flat angles C4'-P-C4' energy: -139.144 flat angles P-C4'-P energy: -84.297 tors. eta vs tors. theta energy: -7.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -915.637036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.637036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.637036 (E_RNA) where: Base-Base interactions energy: -474.911 where: short stacking energy: -271.301 Base-Backbone interact. energy: -1.427 local terms energy: -439.298990 where: bonds (distance) C4'-P energy: -110.329 bonds (distance) P-C4' energy: -142.093 flat angles C4'-P-C4' energy: -117.707 flat angles P-C4'-P energy: -69.056 tors. eta vs tors. theta energy: -0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2855.411784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.411784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.411784 (E_RNA) where: Base-Base interactions energy: -1982.692 where: short stacking energy: -845.110 Base-Backbone interact. energy: 1.485 local terms energy: -874.204922 where: bonds (distance) C4'-P energy: -152.847 bonds (distance) P-C4' energy: -156.494 flat angles C4'-P-C4' energy: -190.967 flat angles P-C4'-P energy: -124.427 tors. eta vs tors. theta energy: -249.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2645.703232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.703232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.703232 (E_RNA) where: Base-Base interactions energy: -1804.961 where: short stacking energy: -775.643 Base-Backbone interact. energy: 4.589 local terms energy: -845.330929 where: bonds (distance) C4'-P energy: -161.104 bonds (distance) P-C4' energy: -170.288 flat angles C4'-P-C4' energy: -176.661 flat angles P-C4'-P energy: -118.233 tors. eta vs tors. theta energy: -219.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2441.872891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.872891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.872891 (E_RNA) where: Base-Base interactions energy: -1636.167 where: short stacking energy: -729.415 Base-Backbone interact. energy: -1.808 local terms energy: -803.897693 where: bonds (distance) C4'-P energy: -167.276 bonds (distance) P-C4' energy: -153.549 flat angles C4'-P-C4' energy: -171.891 flat angles P-C4'-P energy: -109.743 tors. eta vs tors. theta energy: -201.438 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: 168 Temperature: 1.050000 Total energy: -2417.880021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.880021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.880021 (E_RNA) where: Base-Base interactions energy: -1616.443 where: short stacking energy: -710.514 Base-Backbone interact. energy: -5.980 local terms energy: -795.457012 where: bonds (distance) C4'-P energy: -162.805 bonds (distance) P-C4' energy: -145.834 flat angles C4'-P-C4' energy: -186.324 flat angles P-C4'-P energy: -103.613 tors. eta vs tors. theta energy: -196.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2144.491013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.491013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.491013 (E_RNA) where: Base-Base interactions energy: -1412.815 where: short stacking energy: -607.384 Base-Backbone interact. energy: -2.635 local terms energy: -729.040996 where: bonds (distance) C4'-P energy: -155.654 bonds (distance) P-C4' energy: -154.629 flat angles C4'-P-C4' energy: -156.138 flat angles P-C4'-P energy: -98.599 tors. eta vs tors. theta energy: -164.021 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: 3 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2079.712553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.712553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.712553 (E_RNA) where: Base-Base interactions energy: -1399.935 where: short stacking energy: -599.071 Base-Backbone interact. energy: 2.205 local terms energy: -681.982170 where: bonds (distance) C4'-P energy: -143.220 bonds (distance) P-C4' energy: -136.730 flat angles C4'-P-C4' energy: -142.758 flat angles P-C4'-P energy: -115.597 tors. eta vs tors. theta energy: -143.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1742.586195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.586195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.586195 (E_RNA) where: Base-Base interactions energy: -1138.018 where: short stacking energy: -498.287 Base-Backbone interact. energy: 4.167 local terms energy: -608.735564 where: bonds (distance) C4'-P energy: -129.111 bonds (distance) P-C4' energy: -139.297 flat angles C4'-P-C4' energy: -144.832 flat angles P-C4'-P energy: -85.577 tors. eta vs tors. theta energy: -109.918 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: 4 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1374.163232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.163232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.163232 (E_RNA) where: Base-Base interactions energy: -825.696 where: short stacking energy: -390.569 Base-Backbone interact. energy: -0.144 local terms energy: -548.323284 where: bonds (distance) C4'-P energy: -129.489 bonds (distance) P-C4' energy: -134.429 flat angles C4'-P-C4' energy: -141.242 flat angles P-C4'-P energy: -72.563 tors. eta vs tors. theta energy: -70.600 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: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1060.455952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.455952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.455952 (E_RNA) where: Base-Base interactions energy: -543.906 where: short stacking energy: -290.475 Base-Backbone interact. energy: 0.926 local terms energy: -517.475518 where: bonds (distance) C4'-P energy: -129.706 bonds (distance) P-C4' energy: -143.610 flat angles C4'-P-C4' energy: -128.928 flat angles P-C4'-P energy: -89.702 tors. eta vs tors. theta energy: -25.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -865.759041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.759041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.759041 (E_RNA) where: Base-Base interactions energy: -464.294 where: short stacking energy: -227.180 Base-Backbone interact. energy: 1.292 local terms energy: -402.756775 where: bonds (distance) C4'-P energy: -131.452 bonds (distance) P-C4' energy: -123.250 flat angles C4'-P-C4' energy: -101.667 flat angles P-C4'-P energy: -65.532 tors. eta vs tors. theta energy: 19.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2871.803792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.803792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.803792 (E_RNA) where: Base-Base interactions energy: -1981.694 where: short stacking energy: -848.763 Base-Backbone interact. energy: -3.038 local terms energy: -887.071339 where: bonds (distance) C4'-P energy: -162.739 bonds (distance) P-C4' energy: -174.944 flat angles C4'-P-C4' energy: -187.751 flat angles P-C4'-P energy: -110.670 tors. eta vs tors. theta energy: -250.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2653.200747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.200747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.200747 (E_RNA) where: Base-Base interactions energy: -1818.174 where: short stacking energy: -779.168 Base-Backbone interact. energy: -2.819 local terms energy: -832.207221 where: bonds (distance) C4'-P energy: -141.631 bonds (distance) P-C4' energy: -169.922 flat angles C4'-P-C4' energy: -177.894 flat angles P-C4'-P energy: -116.351 tors. eta vs tors. theta energy: -226.409 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: 3, replica: 10 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2484.415185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.415185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.415185 (E_RNA) where: Base-Base interactions energy: -1657.907 where: short stacking energy: -721.033 Base-Backbone interact. energy: 0.453 local terms energy: -826.961046 where: bonds (distance) C4'-P energy: -141.063 bonds (distance) P-C4' energy: -182.848 flat angles C4'-P-C4' energy: -186.194 flat angles P-C4'-P energy: -117.234 tors. eta vs tors. theta energy: -199.623 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: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2368.097550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.097550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.097550 (E_RNA) where: Base-Base interactions energy: -1580.737 where: short stacking energy: -693.388 Base-Backbone interact. energy: -2.181 local terms energy: -785.179929 where: bonds (distance) C4'-P energy: -152.713 bonds (distance) P-C4' energy: -164.474 flat angles C4'-P-C4' energy: -169.147 flat angles P-C4'-P energy: -103.382 tors. eta vs tors. theta energy: -195.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2086.751262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.751262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.751262 (E_RNA) where: Base-Base interactions energy: -1384.523 where: short stacking energy: -596.100 Base-Backbone interact. energy: -3.725 local terms energy: -698.502511 where: bonds (distance) C4'-P energy: -133.588 bonds (distance) P-C4' energy: -151.010 flat angles C4'-P-C4' energy: -148.360 flat angles P-C4'-P energy: -110.106 tors. eta vs tors. theta energy: -155.438 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: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2054.093778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.093778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.093778 (E_RNA) where: Base-Base interactions energy: -1384.816 where: short stacking energy: -545.540 Base-Backbone interact. energy: -0.328 local terms energy: -668.949855 where: bonds (distance) C4'-P energy: -134.363 bonds (distance) P-C4' energy: -135.959 flat angles C4'-P-C4' energy: -161.511 flat angles P-C4'-P energy: -92.590 tors. eta vs tors. theta energy: -144.527 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: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1753.136683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.136683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.136683 (E_RNA) where: Base-Base interactions energy: -1123.670 where: short stacking energy: -493.419 Base-Backbone interact. energy: -0.905 local terms energy: -628.561878 where: bonds (distance) C4'-P energy: -146.032 bonds (distance) P-C4' energy: -138.536 flat angles C4'-P-C4' energy: -155.559 flat angles P-C4'-P energy: -85.314 tors. eta vs tors. theta energy: -103.120 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: 169 Temperature: 1.250000 Total energy: -1413.571904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.571904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.571904 (E_RNA) where: Base-Base interactions energy: -866.463 where: short stacking energy: -415.319 Base-Backbone interact. energy: 5.368 local terms energy: -552.476914 where: bonds (distance) C4'-P energy: -142.488 bonds (distance) P-C4' energy: -129.141 flat angles C4'-P-C4' energy: -142.798 flat angles P-C4'-P energy: -74.113 tors. eta vs tors. theta energy: -63.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1099.260208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.260208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.260208 (E_RNA) where: Base-Base interactions energy: -592.687 where: short stacking energy: -307.511 Base-Backbone interact. energy: 1.042 local terms energy: -507.614951 where: bonds (distance) C4'-P energy: -138.634 bonds (distance) P-C4' energy: -166.471 flat angles C4'-P-C4' energy: -137.404 flat angles P-C4'-P energy: -55.184 tors. eta vs tors. theta energy: -9.922 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: 6 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -869.097538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.097538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.097538 (E_RNA) where: Base-Base interactions energy: -395.718 where: short stacking energy: -220.572 Base-Backbone interact. energy: 3.912 local terms energy: -477.291565 where: bonds (distance) C4'-P energy: -148.765 bonds (distance) P-C4' energy: -144.010 flat angles C4'-P-C4' energy: -110.208 flat angles P-C4'-P energy: -78.567 tors. eta vs tors. theta energy: 4.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2851.795298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.795298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.795298 (E_RNA) where: Base-Base interactions energy: -1960.299 where: short stacking energy: -845.297 Base-Backbone interact. energy: -4.134 local terms energy: -887.362275 where: bonds (distance) C4'-P energy: -174.071 bonds (distance) P-C4' energy: -160.073 flat angles C4'-P-C4' energy: -185.910 flat angles P-C4'-P energy: -128.595 tors. eta vs tors. theta energy: -238.714 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: 2, replica: 7 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2680.540866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.540866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.540866 (E_RNA) where: Base-Base interactions energy: -1846.190 where: short stacking energy: -784.320 Base-Backbone interact. energy: 0.312 local terms energy: -834.662834 where: bonds (distance) C4'-P energy: -164.349 bonds (distance) P-C4' energy: -151.824 flat angles C4'-P-C4' energy: -189.762 flat angles P-C4'-P energy: -102.441 tors. eta vs tors. theta energy: -226.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2469.572460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.572460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.572460 (E_RNA) where: Base-Base interactions energy: -1661.959 where: short stacking energy: -732.431 Base-Backbone interact. energy: -1.862 local terms energy: -805.751461 where: bonds (distance) C4'-P energy: -148.733 bonds (distance) P-C4' energy: -159.423 flat angles C4'-P-C4' energy: -171.502 flat angles P-C4'-P energy: -117.163 tors. eta vs tors. theta energy: -208.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2340.971986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.971986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.971986 (E_RNA) where: Base-Base interactions energy: -1545.639 where: short stacking energy: -670.155 Base-Backbone interact. energy: -3.483 local terms energy: -791.850120 where: bonds (distance) C4'-P energy: -151.745 bonds (distance) P-C4' energy: -166.605 flat angles C4'-P-C4' energy: -162.595 flat angles P-C4'-P energy: -112.339 tors. eta vs tors. theta energy: -198.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2197.258488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.258488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.258488 (E_RNA) where: Base-Base interactions energy: -1480.121 where: short stacking energy: -637.110 Base-Backbone interact. energy: -0.080 local terms energy: -717.057597 where: bonds (distance) C4'-P energy: -146.253 bonds (distance) P-C4' energy: -144.767 flat angles C4'-P-C4' energy: -163.829 flat angles P-C4'-P energy: -92.317 tors. eta vs tors. theta energy: -169.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1989.285286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.285286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.285286 (E_RNA) where: Base-Base interactions energy: -1277.811 where: short stacking energy: -591.062 Base-Backbone interact. energy: -1.392 local terms energy: -710.082519 where: bonds (distance) C4'-P energy: -140.854 bonds (distance) P-C4' energy: -151.999 flat angles C4'-P-C4' energy: -172.316 flat angles P-C4'-P energy: -100.547 tors. eta vs tors. theta energy: -144.367 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: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1687.911732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.911732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.911732 (E_RNA) where: Base-Base interactions energy: -1084.221 where: short stacking energy: -465.933 Base-Backbone interact. energy: 6.404 local terms energy: -610.095222 where: bonds (distance) C4'-P energy: -140.468 bonds (distance) P-C4' energy: -148.555 flat angles C4'-P-C4' energy: -155.034 flat angles P-C4'-P energy: -82.366 tors. eta vs tors. theta energy: -83.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1469.297747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.297747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.297747 (E_RNA) where: Base-Base interactions energy: -938.308 where: short stacking energy: -431.418 Base-Backbone interact. energy: 1.340 local terms energy: -532.329643 where: bonds (distance) C4'-P energy: -132.730 bonds (distance) P-C4' energy: -129.109 flat angles C4'-P-C4' energy: -134.660 flat angles P-C4'-P energy: -65.119 tors. eta vs tors. theta energy: -70.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1136.099971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.099971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.099971 (E_RNA) where: Base-Base interactions energy: -616.704 where: short stacking energy: -301.707 Base-Backbone interact. energy: -1.280 local terms energy: -518.116274 where: bonds (distance) C4'-P energy: -128.734 bonds (distance) P-C4' energy: -137.798 flat angles C4'-P-C4' energy: -129.480 flat angles P-C4'-P energy: -79.484 tors. eta vs tors. theta energy: -42.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -795.717766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.717766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.717766 (E_RNA) where: Base-Base interactions energy: -357.600 where: short stacking energy: -210.171 Base-Backbone interact. energy: 0.249 local terms energy: -438.366740 where: bonds (distance) C4'-P energy: -131.492 bonds (distance) P-C4' energy: -141.725 flat angles C4'-P-C4' energy: -111.682 flat angles P-C4'-P energy: -73.237 tors. eta vs tors. theta energy: 19.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2866.500456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.500456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.500456 (E_RNA) where: Base-Base interactions energy: -1959.453 where: short stacking energy: -858.094 Base-Backbone interact. energy: -4.147 local terms energy: -902.900695 where: bonds (distance) C4'-P energy: -167.246 bonds (distance) P-C4' energy: -158.873 flat angles C4'-P-C4' energy: -192.370 flat angles P-C4'-P energy: -129.897 tors. eta vs tors. theta energy: -254.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2666.372496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.372496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.372496 (E_RNA) where: Base-Base interactions energy: -1822.902 where: short stacking energy: -811.471 Base-Backbone interact. energy: -4.384 local terms energy: -839.086080 where: bonds (distance) C4'-P energy: -150.659 bonds (distance) P-C4' energy: -152.544 flat angles C4'-P-C4' energy: -183.701 flat angles P-C4'-P energy: -125.543 tors. eta vs tors. theta energy: -226.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2463.681097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.681097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.681097 (E_RNA) where: Base-Base interactions energy: -1676.245 where: short stacking energy: -724.533 Base-Backbone interact. energy: -0.224 local terms energy: -787.211800 where: bonds (distance) C4'-P energy: -149.678 bonds (distance) P-C4' energy: -143.250 flat angles C4'-P-C4' energy: -175.046 flat angles P-C4'-P energy: -120.291 tors. eta vs tors. theta energy: -198.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2369.348399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.348399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.348399 (E_RNA) where: Base-Base interactions energy: -1571.094 where: short stacking energy: -678.583 Base-Backbone interact. energy: -0.181 local terms energy: -798.073127 where: bonds (distance) C4'-P energy: -166.405 bonds (distance) P-C4' energy: -158.932 flat angles C4'-P-C4' energy: -172.145 flat angles P-C4'-P energy: -103.216 tors. eta vs tors. theta energy: -197.375 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: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2202.887288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.887288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.887288 (E_RNA) where: Base-Base interactions energy: -1488.517 where: short stacking energy: -631.641 Base-Backbone interact. energy: 0.437 local terms energy: -714.806587 where: bonds (distance) C4'-P energy: -138.206 bonds (distance) P-C4' energy: -150.596 flat angles C4'-P-C4' energy: -168.492 flat angles P-C4'-P energy: -94.887 tors. eta vs tors. theta energy: -162.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2014.984169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.984169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.984169 (E_RNA) where: Base-Base interactions energy: -1336.103 where: short stacking energy: -557.475 Base-Backbone interact. energy: 0.807 local terms energy: -679.687621 where: bonds (distance) C4'-P energy: -150.044 bonds (distance) P-C4' energy: -147.060 flat angles C4'-P-C4' energy: -148.114 flat angles P-C4'-P energy: -103.823 tors. eta vs tors. theta energy: -130.647 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: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1593.723644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.723644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.723644 (E_RNA) where: Base-Base interactions energy: -1001.188 where: short stacking energy: -438.351 Base-Backbone interact. energy: 1.044 local terms energy: -593.580110 where: bonds (distance) C4'-P energy: -141.047 bonds (distance) P-C4' energy: -144.632 flat angles C4'-P-C4' energy: -143.386 flat angles P-C4'-P energy: -88.276 tors. eta vs tors. theta energy: -76.239 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: 8, replica: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1415.585427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.585427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.585427 (E_RNA) where: Base-Base interactions energy: -871.626 where: short stacking energy: -409.207 Base-Backbone interact. energy: -5.096 local terms energy: -538.864191 where: bonds (distance) C4'-P energy: -113.869 bonds (distance) P-C4' energy: -125.985 flat angles C4'-P-C4' energy: -140.333 flat angles P-C4'-P energy: -90.562 tors. eta vs tors. theta energy: -68.114 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: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1192.750855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.750855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.750855 (E_RNA) where: Base-Base interactions energy: -660.588 where: short stacking energy: -328.542 Base-Backbone interact. energy: 9.201 local terms energy: -541.363999 where: bonds (distance) C4'-P energy: -134.777 bonds (distance) P-C4' energy: -119.203 flat angles C4'-P-C4' energy: -146.084 flat angles P-C4'-P energy: -90.133 tors. eta vs tors. theta energy: -51.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -804.429383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.429383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.429383 (E_RNA) where: Base-Base interactions energy: -372.567 where: short stacking energy: -218.271 Base-Backbone interact. energy: 3.073 local terms energy: -434.935555 where: bonds (distance) C4'-P energy: -113.621 bonds (distance) P-C4' energy: -147.454 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -74.576 tors. eta vs tors. theta energy: 14.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2878.434830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.434830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.434830 (E_RNA) where: Base-Base interactions energy: -1984.952 where: short stacking energy: -860.290 Base-Backbone interact. energy: -3.959 local terms energy: -889.524204 where: bonds (distance) C4'-P energy: -150.858 bonds (distance) P-C4' energy: -169.496 flat angles C4'-P-C4' energy: -186.424 flat angles P-C4'-P energy: -135.762 tors. eta vs tors. theta energy: -246.984 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: 7 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2663.724183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.724183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.724183 (E_RNA) where: Base-Base interactions energy: -1783.828 where: short stacking energy: -763.031 Base-Backbone interact. energy: -7.172 local terms energy: -872.723285 where: bonds (distance) C4'-P energy: -163.559 bonds (distance) P-C4' energy: -178.020 flat angles C4'-P-C4' energy: -191.355 flat angles P-C4'-P energy: -127.239 tors. eta vs tors. theta energy: -212.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2492.008702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.008702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.008702 (E_RNA) where: Base-Base interactions energy: -1678.676 where: short stacking energy: -720.403 Base-Backbone interact. energy: -0.596 local terms energy: -812.737144 where: bonds (distance) C4'-P energy: -160.534 bonds (distance) P-C4' energy: -156.067 flat angles C4'-P-C4' energy: -178.160 flat angles P-C4'-P energy: -112.571 tors. eta vs tors. theta energy: -205.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2335.385728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.385728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.385728 (E_RNA) where: Base-Base interactions energy: -1586.950 where: short stacking energy: -673.809 Base-Backbone interact. energy: -0.093 local terms energy: -748.343315 where: bonds (distance) C4'-P energy: -139.239 bonds (distance) P-C4' energy: -152.282 flat angles C4'-P-C4' energy: -160.697 flat angles P-C4'-P energy: -110.150 tors. eta vs tors. theta energy: -185.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2227.989218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.989218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.989218 (E_RNA) where: Base-Base interactions energy: -1494.133 where: short stacking energy: -668.358 Base-Backbone interact. energy: -2.182 local terms energy: -731.674300 where: bonds (distance) C4'-P energy: -141.154 bonds (distance) P-C4' energy: -155.605 flat angles C4'-P-C4' energy: -144.285 flat angles P-C4'-P energy: -118.513 tors. eta vs tors. theta energy: -172.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1962.711435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.711435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.711435 (E_RNA) where: Base-Base interactions energy: -1325.317 where: short stacking energy: -583.544 Base-Backbone interact. energy: -2.738 local terms energy: -634.657067 where: bonds (distance) C4'-P energy: -131.386 bonds (distance) P-C4' energy: -148.322 flat angles C4'-P-C4' energy: -142.480 flat angles P-C4'-P energy: -79.878 tors. eta vs tors. theta energy: -132.590 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: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1653.914979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.914979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.914979 (E_RNA) where: Base-Base interactions energy: -1078.249 where: short stacking energy: -459.297 Base-Backbone interact. energy: -4.544 local terms energy: -571.122169 where: bonds (distance) C4'-P energy: -103.023 bonds (distance) P-C4' energy: -142.105 flat angles C4'-P-C4' energy: -135.981 flat angles P-C4'-P energy: -82.198 tors. eta vs tors. theta energy: -107.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1369.689090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.689090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.689090 (E_RNA) where: Base-Base interactions energy: -818.315 where: short stacking energy: -384.293 Base-Backbone interact. energy: -3.561 local terms energy: -547.813800 where: bonds (distance) C4'-P energy: -142.381 bonds (distance) P-C4' energy: -132.764 flat angles C4'-P-C4' energy: -141.428 flat angles P-C4'-P energy: -73.823 tors. eta vs tors. theta energy: -57.418 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: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1096.036186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.036186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.036186 (E_RNA) where: Base-Base interactions energy: -638.546 where: short stacking energy: -319.481 Base-Backbone interact. energy: -3.542 local terms energy: -453.948755 where: bonds (distance) C4'-P energy: -111.376 bonds (distance) P-C4' energy: -132.052 flat angles C4'-P-C4' energy: -103.190 flat angles P-C4'-P energy: -88.297 tors. eta vs tors. theta energy: -19.033 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: 6 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -817.443123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.443123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.443123 (E_RNA) where: Base-Base interactions energy: -398.280 where: short stacking energy: -213.045 Base-Backbone interact. energy: -0.228 local terms energy: -418.934872 where: bonds (distance) C4'-P energy: -123.183 bonds (distance) P-C4' energy: -144.690 flat angles C4'-P-C4' energy: -105.361 flat angles P-C4'-P energy: -75.504 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: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2825.015934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.015934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.015934 (E_RNA) where: Base-Base interactions energy: -1950.820 where: short stacking energy: -827.464 Base-Backbone interact. energy: -3.816 local terms energy: -870.379597 where: bonds (distance) C4'-P energy: -171.657 bonds (distance) P-C4' energy: -154.048 flat angles C4'-P-C4' energy: -178.720 flat angles P-C4'-P energy: -116.919 tors. eta vs tors. theta energy: -249.036 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: 2, replica: 7 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2665.415783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.415783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.415783 (E_RNA) where: Base-Base interactions energy: -1807.889 where: short stacking energy: -781.175 Base-Backbone interact. energy: -7.659 local terms energy: -849.867567 where: bonds (distance) C4'-P energy: -164.589 bonds (distance) P-C4' energy: -160.965 flat angles C4'-P-C4' energy: -176.056 flat angles P-C4'-P energy: -110.273 tors. eta vs tors. theta energy: -237.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2523.996316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.996316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.996316 (E_RNA) where: Base-Base interactions energy: -1699.178 where: short stacking energy: -751.962 Base-Backbone interact. energy: -1.879 local terms energy: -822.939138 where: bonds (distance) C4'-P energy: -155.027 bonds (distance) P-C4' energy: -149.942 flat angles C4'-P-C4' energy: -188.950 flat angles P-C4'-P energy: -114.436 tors. eta vs tors. theta energy: -214.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2389.560274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.560274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.560274 (E_RNA) where: Base-Base interactions energy: -1630.934 where: short stacking energy: -703.822 Base-Backbone interact. energy: -5.182 local terms energy: -753.443843 where: bonds (distance) C4'-P energy: -136.991 bonds (distance) P-C4' energy: -144.629 flat angles C4'-P-C4' energy: -167.234 flat angles P-C4'-P energy: -115.897 tors. eta vs tors. theta energy: -188.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2175.013785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.013785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.013785 (E_RNA) where: Base-Base interactions energy: -1441.061 where: short stacking energy: -602.551 Base-Backbone interact. energy: 0.728 local terms energy: -734.680864 where: bonds (distance) C4'-P energy: -145.676 bonds (distance) P-C4' energy: -155.002 flat angles C4'-P-C4' energy: -168.111 flat angles P-C4'-P energy: -104.010 tors. eta vs tors. theta energy: -161.883 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: 6, replica: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2014.401145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.401145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.401145 (E_RNA) where: Base-Base interactions energy: -1293.090 where: short stacking energy: -583.033 Base-Backbone interact. energy: -1.714 local terms energy: -719.597020 where: bonds (distance) C4'-P energy: -153.756 bonds (distance) P-C4' energy: -139.420 flat angles C4'-P-C4' energy: -150.616 flat angles P-C4'-P energy: -113.146 tors. eta vs tors. theta energy: -162.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1676.947303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.947303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.947303 (E_RNA) where: Base-Base interactions energy: -1075.075 where: short stacking energy: -483.922 Base-Backbone interact. energy: 0.052 local terms energy: -601.924410 where: bonds (distance) C4'-P energy: -140.980 bonds (distance) P-C4' energy: -141.674 flat angles C4'-P-C4' energy: -128.314 flat angles P-C4'-P energy: -94.400 tors. eta vs tors. theta energy: -96.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1465.703498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.703498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.703498 (E_RNA) where: Base-Base interactions energy: -907.756 where: short stacking energy: -424.682 Base-Backbone interact. energy: 7.228 local terms energy: -565.175197 where: bonds (distance) C4'-P energy: -132.317 bonds (distance) P-C4' energy: -144.516 flat angles C4'-P-C4' energy: -129.475 flat angles P-C4'-P energy: -81.363 tors. eta vs tors. theta energy: -77.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1070.816111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.816111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.816111 (E_RNA) where: Base-Base interactions energy: -626.049 where: short stacking energy: -292.394 Base-Backbone interact. energy: 3.508 local terms energy: -448.274767 where: bonds (distance) C4'-P energy: -127.095 bonds (distance) P-C4' energy: -120.029 flat angles C4'-P-C4' energy: -127.902 flat angles P-C4'-P energy: -69.251 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -781.298156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.298156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.298156 (E_RNA) where: Base-Base interactions energy: -335.524 where: short stacking energy: -207.327 Base-Backbone interact. energy: -3.130 local terms energy: -442.644516 where: bonds (distance) C4'-P energy: -120.136 bonds (distance) P-C4' energy: -154.084 flat angles C4'-P-C4' energy: -95.233 flat angles P-C4'-P energy: -74.852 tors. eta vs tors. theta energy: 1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2837.704596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.704596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.704596 (E_RNA) where: Base-Base interactions energy: -1965.900 where: short stacking energy: -821.300 Base-Backbone interact. energy: -3.037 local terms energy: -868.768077 where: bonds (distance) C4'-P energy: -163.444 bonds (distance) P-C4' energy: -161.379 flat angles C4'-P-C4' energy: -180.713 flat angles P-C4'-P energy: -120.974 tors. eta vs tors. theta energy: -242.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2645.253870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.253870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.253870 (E_RNA) where: Base-Base interactions energy: -1799.664 where: short stacking energy: -776.991 Base-Backbone interact. energy: 1.839 local terms energy: -847.428543 where: bonds (distance) C4'-P energy: -176.037 bonds (distance) P-C4' energy: -152.970 flat angles C4'-P-C4' energy: -172.710 flat angles P-C4'-P energy: -113.997 tors. eta vs tors. theta energy: -231.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2444.890464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.890464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.890464 (E_RNA) where: Base-Base interactions energy: -1638.771 where: short stacking energy: -726.409 Base-Backbone interact. energy: -1.493 local terms energy: -804.626383 where: bonds (distance) C4'-P energy: -152.799 bonds (distance) P-C4' energy: -162.016 flat angles C4'-P-C4' energy: -184.298 flat angles P-C4'-P energy: -100.777 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: 174 Temperature: 1.050000 Total energy: -2395.330585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.330585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.330585 (E_RNA) where: Base-Base interactions energy: -1628.210 where: short stacking energy: -706.079 Base-Backbone interact. energy: -4.204 local terms energy: -762.915881 where: bonds (distance) C4'-P energy: -146.425 bonds (distance) P-C4' energy: -151.571 flat angles C4'-P-C4' energy: -171.709 flat angles P-C4'-P energy: -105.869 tors. eta vs tors. theta energy: -187.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2224.077275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.077275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.077275 (E_RNA) where: Base-Base interactions energy: -1484.127 where: short stacking energy: -659.864 Base-Backbone interact. energy: -1.760 local terms energy: -738.190527 where: bonds (distance) C4'-P energy: -145.888 bonds (distance) P-C4' energy: -141.128 flat angles C4'-P-C4' energy: -164.372 flat angles P-C4'-P energy: -111.002 tors. eta vs tors. theta energy: -175.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1952.737294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.737294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.737294 (E_RNA) where: Base-Base interactions energy: -1288.255 where: short stacking energy: -555.671 Base-Backbone interact. energy: -3.732 local terms energy: -660.750360 where: bonds (distance) C4'-P energy: -128.709 bonds (distance) P-C4' energy: -148.512 flat angles C4'-P-C4' energy: -153.395 flat angles P-C4'-P energy: -100.591 tors. eta vs tors. theta energy: -129.544 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: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1673.204239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.204239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.204239 (E_RNA) where: Base-Base interactions energy: -1046.610 where: short stacking energy: -454.988 Base-Backbone interact. energy: -0.072 local terms energy: -626.522191 where: bonds (distance) C4'-P energy: -150.840 bonds (distance) P-C4' energy: -130.854 flat angles C4'-P-C4' energy: -139.058 flat angles P-C4'-P energy: -99.629 tors. eta vs tors. theta energy: -106.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1420.671518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.671518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.671518 (E_RNA) where: Base-Base interactions energy: -868.942 where: short stacking energy: -396.094 Base-Backbone interact. energy: 1.691 local terms energy: -553.420507 where: bonds (distance) C4'-P energy: -132.128 bonds (distance) P-C4' energy: -138.822 flat angles C4'-P-C4' energy: -148.848 flat angles P-C4'-P energy: -67.696 tors. eta vs tors. theta energy: -65.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -987.253547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.253547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.253547 (E_RNA) where: Base-Base interactions energy: -517.387 where: short stacking energy: -263.381 Base-Backbone interact. energy: -1.870 local terms energy: -467.996557 where: bonds (distance) C4'-P energy: -125.928 bonds (distance) P-C4' energy: -133.672 flat angles C4'-P-C4' energy: -127.881 flat angles P-C4'-P energy: -82.621 tors. eta vs tors. theta energy: 2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -813.220630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.220630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.220630 (E_RNA) where: Base-Base interactions energy: -377.289 where: short stacking energy: -244.503 Base-Backbone interact. energy: 0.482 local terms energy: -436.412906 where: bonds (distance) C4'-P energy: -132.631 bonds (distance) P-C4' energy: -140.852 flat angles C4'-P-C4' energy: -107.475 flat angles P-C4'-P energy: -78.241 tors. eta vs tors. theta energy: 22.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2811.580965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.580965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.580965 (E_RNA) where: Base-Base interactions energy: -1943.472 where: short stacking energy: -825.305 Base-Backbone interact. energy: -0.868 local terms energy: -867.241339 where: bonds (distance) C4'-P energy: -157.722 bonds (distance) P-C4' energy: -175.662 flat angles C4'-P-C4' energy: -172.529 flat angles P-C4'-P energy: -126.186 tors. eta vs tors. theta energy: -235.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2642.549110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.549110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.549110 (E_RNA) where: Base-Base interactions energy: -1788.994 where: short stacking energy: -767.770 Base-Backbone interact. energy: -3.911 local terms energy: -849.644257 where: bonds (distance) C4'-P energy: -152.259 bonds (distance) P-C4' energy: -156.809 flat angles C4'-P-C4' energy: -180.925 flat angles P-C4'-P energy: -126.316 tors. eta vs tors. theta energy: -233.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2448.213498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.213498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.213498 (E_RNA) where: Base-Base interactions energy: -1633.468 where: short stacking energy: -730.119 Base-Backbone interact. energy: 3.586 local terms energy: -818.331879 where: bonds (distance) C4'-P energy: -156.954 bonds (distance) P-C4' energy: -152.012 flat angles C4'-P-C4' energy: -182.955 flat angles P-C4'-P energy: -122.280 tors. eta vs tors. theta energy: -204.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2382.857353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.857353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.857353 (E_RNA) where: Base-Base interactions energy: -1603.059 where: short stacking energy: -674.638 Base-Backbone interact. energy: -2.251 local terms energy: -777.546722 where: bonds (distance) C4'-P energy: -156.164 bonds (distance) P-C4' energy: -163.283 flat angles C4'-P-C4' energy: -171.191 flat angles P-C4'-P energy: -99.577 tors. eta vs tors. theta energy: -187.331 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: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2187.746801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.746801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.746801 (E_RNA) where: Base-Base interactions energy: -1456.477 where: short stacking energy: -611.979 Base-Backbone interact. energy: -4.100 local terms energy: -727.169282 where: bonds (distance) C4'-P energy: -147.387 bonds (distance) P-C4' energy: -146.024 flat angles C4'-P-C4' energy: -162.700 flat angles P-C4'-P energy: -109.784 tors. eta vs tors. theta energy: -161.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1893.760476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.760476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.760476 (E_RNA) where: Base-Base interactions energy: -1236.400 where: short stacking energy: -516.710 Base-Backbone interact. energy: 2.228 local terms energy: -659.588575 where: bonds (distance) C4'-P energy: -108.720 bonds (distance) P-C4' energy: -169.841 flat angles C4'-P-C4' energy: -151.660 flat angles P-C4'-P energy: -110.414 tors. eta vs tors. theta energy: -118.954 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: 7, replica: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1772.360821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.360821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.360821 (E_RNA) where: Base-Base interactions energy: -1151.537 where: short stacking energy: -493.836 Base-Backbone interact. energy: 3.660 local terms energy: -624.483829 where: bonds (distance) C4'-P energy: -153.848 bonds (distance) P-C4' energy: -155.515 flat angles C4'-P-C4' energy: -126.425 flat angles P-C4'-P energy: -88.376 tors. eta vs tors. theta energy: -100.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1451.149220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.149220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.149220 (E_RNA) where: Base-Base interactions energy: -861.821 where: short stacking energy: -418.891 Base-Backbone interact. energy: -1.835 local terms energy: -587.493305 where: bonds (distance) C4'-P energy: -140.081 bonds (distance) P-C4' energy: -151.325 flat angles C4'-P-C4' energy: -139.427 flat angles P-C4'-P energy: -90.910 tors. eta vs tors. theta energy: -65.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -988.836836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.836836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.836836 (E_RNA) where: Base-Base interactions energy: -497.630 where: short stacking energy: -265.364 Base-Backbone interact. energy: 3.478 local terms energy: -494.684579 where: bonds (distance) C4'-P energy: -133.383 bonds (distance) P-C4' energy: -147.627 flat angles C4'-P-C4' energy: -140.910 flat angles P-C4'-P energy: -82.355 tors. eta vs tors. theta energy: 9.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -854.041979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.041979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.041979 (E_RNA) where: Base-Base interactions energy: -449.745 where: short stacking energy: -262.457 Base-Backbone interact. energy: -0.420 local terms energy: -403.877323 where: bonds (distance) C4'-P energy: -112.928 bonds (distance) P-C4' energy: -135.506 flat angles C4'-P-C4' energy: -108.604 flat angles P-C4'-P energy: -39.138 tors. eta vs tors. theta energy: -7.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2839.621680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.621680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.621680 (E_RNA) where: Base-Base interactions energy: -1953.417 where: short stacking energy: -839.724 Base-Backbone interact. energy: -4.941 local terms energy: -881.263062 where: bonds (distance) C4'-P energy: -163.129 bonds (distance) P-C4' energy: -166.685 flat angles C4'-P-C4' energy: -184.099 flat angles P-C4'-P energy: -126.187 tors. eta vs tors. theta energy: -241.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2630.535683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.535683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.535683 (E_RNA) where: Base-Base interactions energy: -1782.804 where: short stacking energy: -772.435 Base-Backbone interact. energy: -2.305 local terms energy: -845.426622 where: bonds (distance) C4'-P energy: -152.573 bonds (distance) P-C4' energy: -167.771 flat angles C4'-P-C4' energy: -171.128 flat angles P-C4'-P energy: -129.555 tors. eta vs tors. theta energy: -224.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2477.122396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.122396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.122396 (E_RNA) where: Base-Base interactions energy: -1628.201 where: short stacking energy: -747.679 Base-Backbone interact. energy: -2.675 local terms energy: -846.246826 where: bonds (distance) C4'-P energy: -158.480 bonds (distance) P-C4' energy: -156.048 flat angles C4'-P-C4' energy: -171.472 flat angles P-C4'-P energy: -135.447 tors. eta vs tors. theta energy: -224.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2340.177211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.177211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.177211 (E_RNA) where: Base-Base interactions energy: -1564.567 where: short stacking energy: -708.264 Base-Backbone interact. energy: -2.922 local terms energy: -772.687988 where: bonds (distance) C4'-P energy: -170.801 bonds (distance) P-C4' energy: -137.891 flat angles C4'-P-C4' energy: -160.437 flat angles P-C4'-P energy: -107.961 tors. eta vs tors. theta energy: -195.598 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: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2224.119212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.119212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.119212 (E_RNA) where: Base-Base interactions energy: -1506.412 where: short stacking energy: -627.916 Base-Backbone interact. energy: -1.516 local terms energy: -716.190673 where: bonds (distance) C4'-P energy: -136.527 bonds (distance) P-C4' energy: -159.237 flat angles C4'-P-C4' energy: -157.064 flat angles P-C4'-P energy: -92.249 tors. eta vs tors. theta energy: -171.113 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: 5 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1956.431870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.431870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.431870 (E_RNA) where: Base-Base interactions energy: -1315.797 where: short stacking energy: -559.735 Base-Backbone interact. energy: -1.988 local terms energy: -638.646710 where: bonds (distance) C4'-P energy: -118.469 bonds (distance) P-C4' energy: -133.988 flat angles C4'-P-C4' energy: -140.421 flat angles P-C4'-P energy: -102.449 tors. eta vs tors. theta energy: -143.321 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: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1677.930328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.930328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.930328 (E_RNA) where: Base-Base interactions energy: -1081.609 where: short stacking energy: -456.586 Base-Backbone interact. energy: -1.710 local terms energy: -594.611218 where: bonds (distance) C4'-P energy: -116.507 bonds (distance) P-C4' energy: -134.520 flat angles C4'-P-C4' energy: -149.815 flat angles P-C4'-P energy: -103.008 tors. eta vs tors. theta energy: -90.761 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: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1354.697100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.697100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.697100 (E_RNA) where: Base-Base interactions energy: -814.455 where: short stacking energy: -404.064 Base-Backbone interact. energy: 0.640 local terms energy: -540.881468 where: bonds (distance) C4'-P energy: -132.336 bonds (distance) P-C4' energy: -132.566 flat angles C4'-P-C4' energy: -118.579 flat angles P-C4'-P energy: -94.541 tors. eta vs tors. theta energy: -62.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -948.510106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.510106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.510106 (E_RNA) where: Base-Base interactions energy: -484.001 where: short stacking energy: -267.330 Base-Backbone interact. energy: 0.462 local terms energy: -464.970575 where: bonds (distance) C4'-P energy: -143.489 bonds (distance) P-C4' energy: -122.977 flat angles C4'-P-C4' energy: -131.119 flat angles P-C4'-P energy: -73.397 tors. eta vs tors. theta energy: 6.011 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: 10, replica: 6 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -871.285131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.285131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.285131 (E_RNA) where: Base-Base interactions energy: -453.496 where: short stacking energy: -242.454 Base-Backbone interact. energy: 4.113 local terms energy: -421.901622 where: bonds (distance) C4'-P energy: -127.666 bonds (distance) P-C4' energy: -138.375 flat angles C4'-P-C4' energy: -88.144 flat angles P-C4'-P energy: -79.729 tors. eta vs tors. theta energy: 12.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2850.144609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.144609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.144609 (E_RNA) where: Base-Base interactions energy: -1947.992 where: short stacking energy: -847.994 Base-Backbone interact. energy: -1.698 local terms energy: -900.454261 where: bonds (distance) C4'-P energy: -157.513 bonds (distance) P-C4' energy: -172.707 flat angles C4'-P-C4' energy: -179.755 flat angles P-C4'-P energy: -135.405 tors. eta vs tors. theta energy: -255.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2638.362180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.362180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.362180 (E_RNA) where: Base-Base interactions energy: -1790.626 where: short stacking energy: -750.810 Base-Backbone interact. energy: -5.152 local terms energy: -842.584251 where: bonds (distance) C4'-P energy: -164.235 bonds (distance) P-C4' energy: -165.373 flat angles C4'-P-C4' energy: -177.189 flat angles P-C4'-P energy: -116.203 tors. eta vs tors. theta energy: -219.584 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: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2501.065762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.065762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.065762 (E_RNA) where: Base-Base interactions energy: -1675.049 where: short stacking energy: -753.842 Base-Backbone interact. energy: -0.094 local terms energy: -825.923376 where: bonds (distance) C4'-P energy: -153.984 bonds (distance) P-C4' energy: -159.595 flat angles C4'-P-C4' energy: -184.319 flat angles P-C4'-P energy: -98.031 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: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2332.502572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.502572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.502572 (E_RNA) where: Base-Base interactions energy: -1593.204 where: short stacking energy: -651.963 Base-Backbone interact. energy: -2.674 local terms energy: -736.624724 where: bonds (distance) C4'-P energy: -154.953 bonds (distance) P-C4' energy: -148.952 flat angles C4'-P-C4' energy: -152.482 flat angles P-C4'-P energy: -105.923 tors. eta vs tors. theta energy: -174.313 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: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2251.524116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.524116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.524116 (E_RNA) where: Base-Base interactions energy: -1542.393 where: short stacking energy: -681.165 Base-Backbone interact. energy: -0.137 local terms energy: -708.994517 where: bonds (distance) C4'-P energy: -130.964 bonds (distance) P-C4' energy: -144.441 flat angles C4'-P-C4' energy: -145.105 flat angles P-C4'-P energy: -105.729 tors. eta vs tors. theta energy: -182.756 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: 6, replica: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1956.935986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.935986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.935986 (E_RNA) where: Base-Base interactions energy: -1274.408 where: short stacking energy: -569.312 Base-Backbone interact. energy: 0.348 local terms energy: -682.875401 where: bonds (distance) C4'-P energy: -128.763 bonds (distance) P-C4' energy: -144.356 flat angles C4'-P-C4' energy: -163.716 flat angles P-C4'-P energy: -108.115 tors. eta vs tors. theta energy: -137.925 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: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1621.168436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.168436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.168436 (E_RNA) where: Base-Base interactions energy: -1019.848 where: short stacking energy: -456.904 Base-Backbone interact. energy: 2.072 local terms energy: -603.392078 where: bonds (distance) C4'-P energy: -137.343 bonds (distance) P-C4' energy: -153.127 flat angles C4'-P-C4' energy: -142.573 flat angles P-C4'-P energy: -77.104 tors. eta vs tors. theta energy: -93.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1310.920278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.920278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.920278 (E_RNA) where: Base-Base interactions energy: -812.905 where: short stacking energy: -388.092 Base-Backbone interact. energy: -1.729 local terms energy: -496.286026 where: bonds (distance) C4'-P energy: -123.961 bonds (distance) P-C4' energy: -136.092 flat angles C4'-P-C4' energy: -121.126 flat angles P-C4'-P energy: -87.283 tors. eta vs tors. theta energy: -27.824 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: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -966.728608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.728608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.728608 (E_RNA) where: Base-Base interactions energy: -466.027 where: short stacking energy: -292.962 Base-Backbone interact. energy: -0.678 local terms energy: -500.023751 where: bonds (distance) C4'-P energy: -131.262 bonds (distance) P-C4' energy: -137.117 flat angles C4'-P-C4' energy: -144.053 flat angles P-C4'-P energy: -67.255 tors. eta vs tors. theta energy: -20.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -898.084326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.084326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.084326 (E_RNA) where: Base-Base interactions energy: -437.789 where: short stacking energy: -276.581 Base-Backbone interact. energy: 0.937 local terms energy: -461.232941 where: bonds (distance) C4'-P energy: -139.147 bonds (distance) P-C4' energy: -133.233 flat angles C4'-P-C4' energy: -113.605 flat angles P-C4'-P energy: -73.740 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: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2834.226245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.226245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.226245 (E_RNA) where: Base-Base interactions energy: -1970.221 where: short stacking energy: -866.039 Base-Backbone interact. energy: -0.604 local terms energy: -863.401347 where: bonds (distance) C4'-P energy: -156.429 bonds (distance) P-C4' energy: -147.800 flat angles C4'-P-C4' energy: -188.861 flat angles P-C4'-P energy: -123.106 tors. eta vs tors. theta energy: -247.204 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: 7 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2609.450448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.450448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.450448 (E_RNA) where: Base-Base interactions energy: -1774.950 where: short stacking energy: -756.893 Base-Backbone interact. energy: -5.685 local terms energy: -828.815749 where: bonds (distance) C4'-P energy: -158.945 bonds (distance) P-C4' energy: -153.980 flat angles C4'-P-C4' energy: -171.790 flat angles P-C4'-P energy: -119.009 tors. eta vs tors. theta energy: -225.092 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: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2545.201734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.201734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.201734 (E_RNA) where: Base-Base interactions energy: -1719.811 where: short stacking energy: -765.613 Base-Backbone interact. energy: -2.914 local terms energy: -822.476827 where: bonds (distance) C4'-P energy: -160.059 bonds (distance) P-C4' energy: -152.954 flat angles C4'-P-C4' energy: -172.949 flat angles P-C4'-P energy: -122.348 tors. eta vs tors. theta energy: -214.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2269.500217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.500217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.500217 (E_RNA) where: Base-Base interactions energy: -1514.579 where: short stacking energy: -634.642 Base-Backbone interact. energy: 2.667 local terms energy: -757.587845 where: bonds (distance) C4'-P energy: -165.446 bonds (distance) P-C4' energy: -147.349 flat angles C4'-P-C4' energy: -175.423 flat angles P-C4'-P energy: -102.985 tors. eta vs tors. theta energy: -166.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2308.792687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.792687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.792687 (E_RNA) where: Base-Base interactions energy: -1560.513 where: short stacking energy: -632.780 Base-Backbone interact. energy: -4.831 local terms energy: -743.449151 where: bonds (distance) C4'-P energy: -137.545 bonds (distance) P-C4' energy: -149.157 flat angles C4'-P-C4' energy: -160.350 flat angles P-C4'-P energy: -117.874 tors. eta vs tors. theta energy: -178.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2041.773702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.773702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.773702 (E_RNA) where: Base-Base interactions energy: -1293.024 where: short stacking energy: -568.426 Base-Backbone interact. energy: -0.043 local terms energy: -748.706158 where: bonds (distance) C4'-P energy: -155.083 bonds (distance) P-C4' energy: -167.259 flat angles C4'-P-C4' energy: -163.265 flat angles P-C4'-P energy: -113.270 tors. eta vs tors. theta energy: -149.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1650.162360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.162360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.162360 (E_RNA) where: Base-Base interactions energy: -1039.585 where: short stacking energy: -469.664 Base-Backbone interact. energy: -1.484 local terms energy: -609.093488 where: bonds (distance) C4'-P energy: -154.805 bonds (distance) P-C4' energy: -137.816 flat angles C4'-P-C4' energy: -128.909 flat angles P-C4'-P energy: -97.046 tors. eta vs tors. theta energy: -90.518 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: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1323.978790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.978790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.978790 (E_RNA) where: Base-Base interactions energy: -816.001 where: short stacking energy: -369.329 Base-Backbone interact. energy: 5.417 local terms energy: -513.394645 where: bonds (distance) C4'-P energy: -140.403 bonds (distance) P-C4' energy: -139.870 flat angles C4'-P-C4' energy: -124.078 flat angles P-C4'-P energy: -49.874 tors. eta vs tors. theta energy: -59.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -961.305785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.305785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.305785 (E_RNA) where: Base-Base interactions energy: -472.259 where: short stacking energy: -253.936 Base-Backbone interact. energy: -2.664 local terms energy: -486.382755 where: bonds (distance) C4'-P energy: -131.088 bonds (distance) P-C4' energy: -157.636 flat angles C4'-P-C4' energy: -110.771 flat angles P-C4'-P energy: -67.121 tors. eta vs tors. theta energy: -19.766 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: 6 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -805.701027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.701027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.701027 (E_RNA) where: Base-Base interactions energy: -383.916 where: short stacking energy: -214.757 Base-Backbone interact. energy: 4.095 local terms energy: -425.879823 where: bonds (distance) C4'-P energy: -134.089 bonds (distance) P-C4' energy: -128.625 flat angles C4'-P-C4' energy: -102.137 flat angles P-C4'-P energy: -61.099 tors. eta vs tors. theta energy: 0.069 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: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2837.103600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.103600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.103600 (E_RNA) where: Base-Base interactions energy: -1943.836 where: short stacking energy: -817.459 Base-Backbone interact. energy: -2.259 local terms energy: -891.008036 where: bonds (distance) C4'-P energy: -171.650 bonds (distance) P-C4' energy: -169.097 flat angles C4'-P-C4' energy: -190.259 flat angles P-C4'-P energy: -127.718 tors. eta vs tors. theta energy: -232.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2634.537274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.537274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.537274 (E_RNA) where: Base-Base interactions energy: -1785.610 where: short stacking energy: -756.120 Base-Backbone interact. energy: -5.201 local terms energy: -843.726299 where: bonds (distance) C4'-P energy: -162.665 bonds (distance) P-C4' energy: -144.353 flat angles C4'-P-C4' energy: -194.096 flat angles P-C4'-P energy: -118.991 tors. eta vs tors. theta energy: -223.622 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: 3, replica: 10 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2487.254812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.254812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.254812 (E_RNA) where: Base-Base interactions energy: -1650.271 where: short stacking energy: -713.600 Base-Backbone interact. energy: -0.191 local terms energy: -836.793073 where: bonds (distance) C4'-P energy: -169.742 bonds (distance) P-C4' energy: -159.232 flat angles C4'-P-C4' energy: -177.604 flat angles P-C4'-P energy: -112.652 tors. eta vs tors. theta energy: -217.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2373.388945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.388945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.388945 (E_RNA) where: Base-Base interactions energy: -1611.791 where: short stacking energy: -659.770 Base-Backbone interact. energy: -5.362 local terms energy: -756.235406 where: bonds (distance) C4'-P energy: -144.583 bonds (distance) P-C4' energy: -147.795 flat angles C4'-P-C4' energy: -170.027 flat angles P-C4'-P energy: -113.163 tors. eta vs tors. theta energy: -180.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2189.715533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.715533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.715533 (E_RNA) where: Base-Base interactions energy: -1450.977 where: short stacking energy: -627.486 Base-Backbone interact. energy: 0.260 local terms energy: -738.997973 where: bonds (distance) C4'-P energy: -152.873 bonds (distance) P-C4' energy: -143.155 flat angles C4'-P-C4' energy: -163.730 flat angles P-C4'-P energy: -102.830 tors. eta vs tors. theta energy: -176.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1987.633409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.633409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.633409 (E_RNA) where: Base-Base interactions energy: -1306.186 where: short stacking energy: -605.288 Base-Backbone interact. energy: -1.373 local terms energy: -680.074352 where: bonds (distance) C4'-P energy: -128.077 bonds (distance) P-C4' energy: -150.654 flat angles C4'-P-C4' energy: -171.356 flat angles P-C4'-P energy: -87.179 tors. eta vs tors. theta energy: -142.808 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: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1634.865809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.865809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.865809 (E_RNA) where: Base-Base interactions energy: -996.270 where: short stacking energy: -424.013 Base-Backbone interact. energy: 10.218 local terms energy: -648.813288 where: bonds (distance) C4'-P energy: -140.253 bonds (distance) P-C4' energy: -163.886 flat angles C4'-P-C4' energy: -152.553 flat angles P-C4'-P energy: -115.569 tors. eta vs tors. theta energy: -76.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1386.977592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.977592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.977592 (E_RNA) where: Base-Base interactions energy: -877.126 where: short stacking energy: -396.260 Base-Backbone interact. energy: -2.377 local terms energy: -507.474830 where: bonds (distance) C4'-P energy: -124.970 bonds (distance) P-C4' energy: -121.053 flat angles C4'-P-C4' energy: -137.400 flat angles P-C4'-P energy: -75.545 tors. eta vs tors. theta energy: -48.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1061.940479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.940479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.940479 (E_RNA) where: Base-Base interactions energy: -567.433 where: short stacking energy: -310.205 Base-Backbone interact. energy: -2.786 local terms energy: -491.722115 where: bonds (distance) C4'-P energy: -133.676 bonds (distance) P-C4' energy: -144.583 flat angles C4'-P-C4' energy: -115.231 flat angles P-C4'-P energy: -65.650 tors. eta vs tors. theta energy: -32.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -830.158674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.158674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.158674 (E_RNA) where: Base-Base interactions energy: -387.608 where: short stacking energy: -201.885 Base-Backbone interact. energy: -0.140 local terms energy: -442.410336 where: bonds (distance) C4'-P energy: -138.870 bonds (distance) P-C4' energy: -141.662 flat angles C4'-P-C4' energy: -111.897 flat angles P-C4'-P energy: -57.297 tors. eta vs tors. theta energy: 7.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2862.187068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.187068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.187068 (E_RNA) where: Base-Base interactions energy: -1980.901 where: short stacking energy: -854.238 Base-Backbone interact. energy: -1.859 local terms energy: -879.426901 where: bonds (distance) C4'-P energy: -140.959 bonds (distance) P-C4' energy: -174.120 flat angles C4'-P-C4' energy: -195.285 flat angles P-C4'-P energy: -115.593 tors. eta vs tors. theta energy: -253.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2653.677161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.677161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.677161 (E_RNA) where: Base-Base interactions energy: -1817.014 where: short stacking energy: -770.331 Base-Backbone interact. energy: -4.628 local terms energy: -832.035292 where: bonds (distance) C4'-P energy: -157.418 bonds (distance) P-C4' energy: -164.338 flat angles C4'-P-C4' energy: -183.138 flat angles P-C4'-P energy: -109.001 tors. eta vs tors. theta energy: -218.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2548.589137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.589137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.589137 (E_RNA) where: Base-Base interactions energy: -1684.375 where: short stacking energy: -776.762 Base-Backbone interact. energy: -1.382 local terms energy: -862.831773 where: bonds (distance) C4'-P energy: -144.188 bonds (distance) P-C4' energy: -170.517 flat angles C4'-P-C4' energy: -190.379 flat angles P-C4'-P energy: -123.731 tors. eta vs tors. theta energy: -234.016 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: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2363.774431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.774431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.774431 (E_RNA) where: Base-Base interactions energy: -1596.342 where: short stacking energy: -665.011 Base-Backbone interact. energy: -1.084 local terms energy: -766.349113 where: bonds (distance) C4'-P energy: -159.259 bonds (distance) P-C4' energy: -159.626 flat angles C4'-P-C4' energy: -156.798 flat angles P-C4'-P energy: -111.963 tors. eta vs tors. theta energy: -178.703 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: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2187.130454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.130454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.130454 (E_RNA) where: Base-Base interactions energy: -1432.253 where: short stacking energy: -639.669 Base-Backbone interact. energy: -1.569 local terms energy: -753.307961 where: bonds (distance) C4'-P energy: -156.526 bonds (distance) P-C4' energy: -158.402 flat angles C4'-P-C4' energy: -170.897 flat angles P-C4'-P energy: -95.696 tors. eta vs tors. theta energy: -171.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2003.868226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.868226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.868226 (E_RNA) where: Base-Base interactions energy: -1311.861 where: short stacking energy: -582.059 Base-Backbone interact. energy: -3.944 local terms energy: -688.064122 where: bonds (distance) C4'-P energy: -132.727 bonds (distance) P-C4' energy: -162.133 flat angles C4'-P-C4' energy: -154.987 flat angles P-C4'-P energy: -93.245 tors. eta vs tors. theta energy: -144.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1662.145801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.145801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.145801 (E_RNA) where: Base-Base interactions energy: -1043.144 where: short stacking energy: -460.470 Base-Backbone interact. energy: -5.819 local terms energy: -613.182995 where: bonds (distance) C4'-P energy: -135.278 bonds (distance) P-C4' energy: -151.479 flat angles C4'-P-C4' energy: -133.750 flat angles P-C4'-P energy: -94.925 tors. eta vs tors. theta energy: -97.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1547.455132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.455132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.455132 (E_RNA) where: Base-Base interactions energy: -912.986 where: short stacking energy: -406.598 Base-Backbone interact. energy: 2.301 local terms energy: -636.769727 where: bonds (distance) C4'-P energy: -142.870 bonds (distance) P-C4' energy: -175.567 flat angles C4'-P-C4' energy: -122.560 flat angles P-C4'-P energy: -93.305 tors. eta vs tors. theta energy: -102.468 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: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -981.500736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.500736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.500736 (E_RNA) where: Base-Base interactions energy: -491.586 where: short stacking energy: -243.153 Base-Backbone interact. energy: 0.236 local terms energy: -490.149956 where: bonds (distance) C4'-P energy: -127.798 bonds (distance) P-C4' energy: -154.098 flat angles C4'-P-C4' energy: -130.049 flat angles P-C4'-P energy: -70.350 tors. eta vs tors. theta energy: -7.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -727.024862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.024862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.024862 (E_RNA) where: Base-Base interactions energy: -344.839 where: short stacking energy: -207.225 Base-Backbone interact. energy: 1.071 local terms energy: -383.257320 where: bonds (distance) C4'-P energy: -118.418 bonds (distance) P-C4' energy: -132.548 flat angles C4'-P-C4' energy: -126.716 flat angles P-C4'-P energy: -44.703 tors. eta vs tors. theta energy: 39.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2835.393854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.393854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.393854 (E_RNA) where: Base-Base interactions energy: -1963.110 where: short stacking energy: -821.836 Base-Backbone interact. energy: -3.954 local terms energy: -868.329491 where: bonds (distance) C4'-P energy: -156.516 bonds (distance) P-C4' energy: -156.138 flat angles C4'-P-C4' energy: -179.539 flat angles P-C4'-P energy: -124.682 tors. eta vs tors. theta energy: -251.454 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: 7 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2653.275780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.275780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.275780 (E_RNA) where: Base-Base interactions energy: -1823.562 where: short stacking energy: -761.823 Base-Backbone interact. energy: -2.335 local terms energy: -827.379451 where: bonds (distance) C4'-P energy: -147.930 bonds (distance) P-C4' energy: -170.572 flat angles C4'-P-C4' energy: -168.728 flat angles P-C4'-P energy: -115.384 tors. eta vs tors. theta energy: -224.766 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: 3, replica: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2491.279996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.279996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.279996 (E_RNA) where: Base-Base interactions energy: -1678.350 where: short stacking energy: -757.686 Base-Backbone interact. energy: -1.803 local terms energy: -811.126868 where: bonds (distance) C4'-P energy: -161.589 bonds (distance) P-C4' energy: -154.141 flat angles C4'-P-C4' energy: -177.524 flat angles P-C4'-P energy: -103.654 tors. eta vs tors. theta energy: -214.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2401.596779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.596779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.596779 (E_RNA) where: Base-Base interactions energy: -1648.891 where: short stacking energy: -691.796 Base-Backbone interact. energy: -1.785 local terms energy: -750.920395 where: bonds (distance) C4'-P energy: -148.001 bonds (distance) P-C4' energy: -150.520 flat angles C4'-P-C4' energy: -148.951 flat angles P-C4'-P energy: -117.887 tors. eta vs tors. theta energy: -185.561 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: 5, replica: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2188.025770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.025770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.025770 (E_RNA) where: Base-Base interactions energy: -1454.965 where: short stacking energy: -620.662 Base-Backbone interact. energy: -0.169 local terms energy: -732.891651 where: bonds (distance) C4'-P energy: -133.408 bonds (distance) P-C4' energy: -165.731 flat angles C4'-P-C4' energy: -155.986 flat angles P-C4'-P energy: -111.411 tors. eta vs tors. theta energy: -166.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2022.248614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.248614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.248614 (E_RNA) where: Base-Base interactions energy: -1317.493 where: short stacking energy: -596.113 Base-Backbone interact. energy: 0.723 local terms energy: -705.478816 where: bonds (distance) C4'-P energy: -128.134 bonds (distance) P-C4' energy: -152.160 flat angles C4'-P-C4' energy: -154.144 flat angles P-C4'-P energy: -105.259 tors. eta vs tors. theta energy: -165.782 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: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1722.028401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.028401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.028401 (E_RNA) where: Base-Base interactions energy: -1091.313 where: short stacking energy: -462.054 Base-Backbone interact. energy: -2.734 local terms energy: -627.981693 where: bonds (distance) C4'-P energy: -136.074 bonds (distance) P-C4' energy: -149.480 flat angles C4'-P-C4' energy: -144.023 flat angles P-C4'-P energy: -93.617 tors. eta vs tors. theta energy: -104.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1465.805164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.805164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.805164 (E_RNA) where: Base-Base interactions energy: -939.847 where: short stacking energy: -411.855 Base-Backbone interact. energy: -1.870 local terms energy: -524.088052 where: bonds (distance) C4'-P energy: -133.315 bonds (distance) P-C4' energy: -124.429 flat angles C4'-P-C4' energy: -129.376 flat angles P-C4'-P energy: -72.899 tors. eta vs tors. theta energy: -64.069 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: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1038.176196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.176196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.176196 (E_RNA) where: Base-Base interactions energy: -552.339 where: short stacking energy: -281.568 Base-Backbone interact. energy: -2.416 local terms energy: -483.420899 where: bonds (distance) C4'-P energy: -152.952 bonds (distance) P-C4' energy: -147.773 flat angles C4'-P-C4' energy: -126.319 flat angles P-C4'-P energy: -43.598 tors. eta vs tors. theta energy: -12.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -733.424805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.424805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.424805 (E_RNA) where: Base-Base interactions energy: -338.338 where: short stacking energy: -221.082 Base-Backbone interact. energy: 5.568 local terms energy: -400.654579 where: bonds (distance) C4'-P energy: -118.645 bonds (distance) P-C4' energy: -93.945 flat angles C4'-P-C4' energy: -127.060 flat angles P-C4'-P energy: -71.427 tors. eta vs tors. theta energy: 10.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2868.931334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.931334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.931334 (E_RNA) where: Base-Base interactions energy: -1959.945 where: short stacking energy: -835.602 Base-Backbone interact. energy: -4.542 local terms energy: -904.444209 where: bonds (distance) C4'-P energy: -164.838 bonds (distance) P-C4' energy: -170.659 flat angles C4'-P-C4' energy: -194.623 flat angles P-C4'-P energy: -120.823 tors. eta vs tors. theta energy: -253.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2638.508101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.508101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.508101 (E_RNA) where: Base-Base interactions energy: -1777.086 where: short stacking energy: -774.232 Base-Backbone interact. energy: 1.142 local terms energy: -862.563737 where: bonds (distance) C4'-P energy: -164.691 bonds (distance) P-C4' energy: -158.875 flat angles C4'-P-C4' energy: -188.773 flat angles P-C4'-P energy: -129.801 tors. eta vs tors. theta energy: -220.423 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: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2502.412873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.412873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.412873 (E_RNA) where: Base-Base interactions energy: -1661.529 where: short stacking energy: -726.142 Base-Backbone interact. energy: -0.608 local terms energy: -840.275776 where: bonds (distance) C4'-P energy: -151.506 bonds (distance) P-C4' energy: -168.037 flat angles C4'-P-C4' energy: -187.104 flat angles P-C4'-P energy: -118.079 tors. eta vs tors. theta energy: -215.549 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: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2392.348944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.348944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.348944 (E_RNA) where: Base-Base interactions energy: -1632.557 where: short stacking energy: -701.123 Base-Backbone interact. energy: 0.267 local terms energy: -760.058235 where: bonds (distance) C4'-P energy: -149.818 bonds (distance) P-C4' energy: -158.103 flat angles C4'-P-C4' energy: -175.385 flat angles P-C4'-P energy: -95.243 tors. eta vs tors. theta energy: -181.509 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: 5, replica: 8 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2236.761857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.761857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.761857 (E_RNA) where: Base-Base interactions energy: -1476.530 where: short stacking energy: -648.334 Base-Backbone interact. energy: -3.964 local terms energy: -756.267403 where: bonds (distance) C4'-P energy: -157.968 bonds (distance) P-C4' energy: -147.022 flat angles C4'-P-C4' energy: -173.330 flat angles P-C4'-P energy: -92.577 tors. eta vs tors. theta energy: -185.370 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: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2075.878120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.878120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.878120 (E_RNA) where: Base-Base interactions energy: -1377.033 where: short stacking energy: -593.267 Base-Backbone interact. energy: 0.527 local terms energy: -699.372145 where: bonds (distance) C4'-P energy: -145.764 bonds (distance) P-C4' energy: -137.007 flat angles C4'-P-C4' energy: -163.511 flat angles P-C4'-P energy: -100.551 tors. eta vs tors. theta energy: -152.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1758.866498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.866498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.866498 (E_RNA) where: Base-Base interactions energy: -1145.225 where: short stacking energy: -498.882 Base-Backbone interact. energy: 1.289 local terms energy: -614.929894 where: bonds (distance) C4'-P energy: -132.654 bonds (distance) P-C4' energy: -132.724 flat angles C4'-P-C4' energy: -159.620 flat angles P-C4'-P energy: -75.096 tors. eta vs tors. theta energy: -114.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1491.673952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.673952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.673952 (E_RNA) where: Base-Base interactions energy: -907.009 where: short stacking energy: -419.591 Base-Backbone interact. energy: 0.982 local terms energy: -585.647376 where: bonds (distance) C4'-P energy: -141.074 bonds (distance) P-C4' energy: -143.504 flat angles C4'-P-C4' energy: -141.329 flat angles P-C4'-P energy: -77.197 tors. eta vs tors. theta energy: -82.544 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: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -977.505470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.505470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.505470 (E_RNA) where: Base-Base interactions energy: -518.028 where: short stacking energy: -288.305 Base-Backbone interact. energy: 0.130 local terms energy: -459.607807 where: bonds (distance) C4'-P energy: -119.374 bonds (distance) P-C4' energy: -136.583 flat angles C4'-P-C4' energy: -126.885 flat angles P-C4'-P energy: -72.673 tors. eta vs tors. theta energy: -4.093 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: 6 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -752.774244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.774244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.774244 (E_RNA) where: Base-Base interactions energy: -336.082 where: short stacking energy: -199.128 Base-Backbone interact. energy: 9.305 local terms energy: -425.997822 where: bonds (distance) C4'-P energy: -139.690 bonds (distance) P-C4' energy: -136.117 flat angles C4'-P-C4' energy: -104.709 flat angles P-C4'-P energy: -77.248 tors. eta vs tors. theta energy: 31.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2816.990669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.990669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.990669 (E_RNA) where: Base-Base interactions energy: -1935.694 where: short stacking energy: -825.696 Base-Backbone interact. energy: -3.384 local terms energy: -877.912677 where: bonds (distance) C4'-P energy: -176.963 bonds (distance) P-C4' energy: -158.675 flat angles C4'-P-C4' energy: -168.676 flat angles P-C4'-P energy: -135.201 tors. eta vs tors. theta energy: -238.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2606.922980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.922980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.922980 (E_RNA) where: Base-Base interactions energy: -1761.298 where: short stacking energy: -777.744 Base-Backbone interact. energy: 1.989 local terms energy: -847.613996 where: bonds (distance) C4'-P energy: -171.196 bonds (distance) P-C4' energy: -159.709 flat angles C4'-P-C4' energy: -176.989 flat angles P-C4'-P energy: -117.600 tors. eta vs tors. theta energy: -222.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2496.068281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.068281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.068281 (E_RNA) where: Base-Base interactions energy: -1681.162 where: short stacking energy: -763.217 Base-Backbone interact. energy: -7.415 local terms energy: -807.490826 where: bonds (distance) C4'-P energy: -152.643 bonds (distance) P-C4' energy: -161.002 flat angles C4'-P-C4' energy: -178.464 flat angles P-C4'-P energy: -107.769 tors. eta vs tors. theta energy: -207.613 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: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2410.057035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.057035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.057035 (E_RNA) where: Base-Base interactions energy: -1593.735 where: short stacking energy: -674.257 Base-Backbone interact. energy: -3.439 local terms energy: -812.883538 where: bonds (distance) C4'-P energy: -166.038 bonds (distance) P-C4' energy: -161.387 flat angles C4'-P-C4' energy: -172.534 flat angles P-C4'-P energy: -125.346 tors. eta vs tors. theta energy: -187.578 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: 8 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2230.108965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.108965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.108965 (E_RNA) where: Base-Base interactions energy: -1483.273 where: short stacking energy: -641.171 Base-Backbone interact. energy: -3.241 local terms energy: -743.595644 where: bonds (distance) C4'-P energy: -141.501 bonds (distance) P-C4' energy: -150.719 flat angles C4'-P-C4' energy: -164.692 flat angles P-C4'-P energy: -106.403 tors. eta vs tors. theta energy: -180.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2110.770668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.770668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.770668 (E_RNA) where: Base-Base interactions energy: -1419.610 where: short stacking energy: -623.155 Base-Backbone interact. energy: -3.206 local terms energy: -687.954656 where: bonds (distance) C4'-P energy: -142.992 bonds (distance) P-C4' energy: -120.450 flat angles C4'-P-C4' energy: -170.655 flat angles P-C4'-P energy: -90.619 tors. eta vs tors. theta energy: -163.239 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: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1684.868752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.868752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.868752 (E_RNA) where: Base-Base interactions energy: -1079.123 where: short stacking energy: -452.138 Base-Backbone interact. energy: -0.581 local terms energy: -605.164999 where: bonds (distance) C4'-P energy: -137.996 bonds (distance) P-C4' energy: -133.778 flat angles C4'-P-C4' energy: -136.960 flat angles P-C4'-P energy: -107.054 tors. eta vs tors. theta energy: -89.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1480.156706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.156706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.156706 (E_RNA) where: Base-Base interactions energy: -896.361 where: short stacking energy: -403.817 Base-Backbone interact. energy: 2.210 local terms energy: -586.005968 where: bonds (distance) C4'-P energy: -138.400 bonds (distance) P-C4' energy: -143.159 flat angles C4'-P-C4' energy: -143.548 flat angles P-C4'-P energy: -80.605 tors. eta vs tors. theta energy: -80.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1015.975562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.975562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.975562 (E_RNA) where: Base-Base interactions energy: -532.178 where: short stacking energy: -277.017 Base-Backbone interact. energy: -1.634 local terms energy: -482.163836 where: bonds (distance) C4'-P energy: -121.666 bonds (distance) P-C4' energy: -123.906 flat angles C4'-P-C4' energy: -134.747 flat angles P-C4'-P energy: -88.119 tors. eta vs tors. theta energy: -13.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -769.373683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.373683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.373683 (E_RNA) where: Base-Base interactions energy: -369.062 where: short stacking energy: -222.466 Base-Backbone interact. energy: -0.627 local terms energy: -399.684827 where: bonds (distance) C4'-P energy: -107.330 bonds (distance) P-C4' energy: -148.254 flat angles C4'-P-C4' energy: -117.882 flat angles P-C4'-P energy: -41.815 tors. eta vs tors. theta energy: 15.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2827.494259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.494259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.494259 (E_RNA) where: Base-Base interactions energy: -1933.905 where: short stacking energy: -828.246 Base-Backbone interact. energy: -2.403 local terms energy: -891.186405 where: bonds (distance) C4'-P energy: -159.094 bonds (distance) P-C4' energy: -175.577 flat angles C4'-P-C4' energy: -194.174 flat angles P-C4'-P energy: -121.843 tors. eta vs tors. theta energy: -240.498 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: 7 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2626.861944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.861944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.861944 (E_RNA) where: Base-Base interactions energy: -1774.337 where: short stacking energy: -778.023 Base-Backbone interact. energy: -6.003 local terms energy: -846.522444 where: bonds (distance) C4'-P energy: -158.550 bonds (distance) P-C4' energy: -159.913 flat angles C4'-P-C4' energy: -179.038 flat angles P-C4'-P energy: -121.654 tors. eta vs tors. theta energy: -227.368 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: 10 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2497.186293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.186293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.186293 (E_RNA) where: Base-Base interactions energy: -1680.281 where: short stacking energy: -755.061 Base-Backbone interact. energy: -6.690 local terms energy: -810.214729 where: bonds (distance) C4'-P energy: -143.970 bonds (distance) P-C4' energy: -165.646 flat angles C4'-P-C4' energy: -164.809 flat angles P-C4'-P energy: -121.475 tors. eta vs tors. theta energy: -214.315 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: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2394.028505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.028505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.028505 (E_RNA) where: Base-Base interactions energy: -1637.610 where: short stacking energy: -726.420 Base-Backbone interact. energy: 0.066 local terms energy: -756.484456 where: bonds (distance) C4'-P energy: -128.178 bonds (distance) P-C4' energy: -141.011 flat angles C4'-P-C4' energy: -175.458 flat angles P-C4'-P energy: -111.126 tors. eta vs tors. theta energy: -200.711 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: 5, replica: 8 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2259.633433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.633433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.633433 (E_RNA) where: Base-Base interactions energy: -1521.255 where: short stacking energy: -651.821 Base-Backbone interact. energy: -5.539 local terms energy: -732.839033 where: bonds (distance) C4'-P energy: -146.344 bonds (distance) P-C4' energy: -167.302 flat angles C4'-P-C4' energy: -154.908 flat angles P-C4'-P energy: -100.403 tors. eta vs tors. theta energy: -163.881 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: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2073.225601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.225601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.225601 (E_RNA) where: Base-Base interactions energy: -1377.499 where: short stacking energy: -603.731 Base-Backbone interact. energy: 6.362 local terms energy: -702.088713 where: bonds (distance) C4'-P energy: -142.292 bonds (distance) P-C4' energy: -130.421 flat angles C4'-P-C4' energy: -158.989 flat angles P-C4'-P energy: -101.932 tors. eta vs tors. theta energy: -168.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1750.549234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.549234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.549234 (E_RNA) where: Base-Base interactions energy: -1143.227 where: short stacking energy: -489.822 Base-Backbone interact. energy: -5.018 local terms energy: -602.304796 where: bonds (distance) C4'-P energy: -106.117 bonds (distance) P-C4' energy: -132.405 flat angles C4'-P-C4' energy: -163.688 flat angles P-C4'-P energy: -101.441 tors. eta vs tors. theta energy: -98.654 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: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1466.677590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.677590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.677590 (E_RNA) where: Base-Base interactions energy: -897.007 where: short stacking energy: -414.213 Base-Backbone interact. energy: -2.471 local terms energy: -567.199509 where: bonds (distance) C4'-P energy: -141.519 bonds (distance) P-C4' energy: -138.306 flat angles C4'-P-C4' energy: -144.014 flat angles P-C4'-P energy: -73.796 tors. eta vs tors. theta energy: -69.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1048.360407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.360407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.360407 (E_RNA) where: Base-Base interactions energy: -558.141 where: short stacking energy: -309.646 Base-Backbone interact. energy: -1.714 local terms energy: -488.505324 where: bonds (distance) C4'-P energy: -131.142 bonds (distance) P-C4' energy: -140.061 flat angles C4'-P-C4' energy: -119.744 flat angles P-C4'-P energy: -79.055 tors. eta vs tors. theta energy: -18.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -842.501845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.501845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.501845 (E_RNA) where: Base-Base interactions energy: -421.123 where: short stacking energy: -244.182 Base-Backbone interact. energy: 4.428 local terms energy: -425.807476 where: bonds (distance) C4'-P energy: -112.111 bonds (distance) P-C4' energy: -127.383 flat angles C4'-P-C4' energy: -115.857 flat angles P-C4'-P energy: -76.071 tors. eta vs tors. theta energy: 5.616 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: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2838.575497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.575497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.575497 (E_RNA) where: Base-Base interactions energy: -1949.079 where: short stacking energy: -814.754 Base-Backbone interact. energy: -2.926 local terms energy: -886.570610 where: bonds (distance) C4'-P energy: -166.603 bonds (distance) P-C4' energy: -166.705 flat angles C4'-P-C4' energy: -183.714 flat angles P-C4'-P energy: -133.198 tors. eta vs tors. theta energy: -236.351 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: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2621.143679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.143679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.143679 (E_RNA) where: Base-Base interactions energy: -1765.296 where: short stacking energy: -759.725 Base-Backbone interact. energy: -3.581 local terms energy: -852.267285 where: bonds (distance) C4'-P energy: -153.918 bonds (distance) P-C4' energy: -163.908 flat angles C4'-P-C4' energy: -192.297 flat angles P-C4'-P energy: -123.144 tors. eta vs tors. theta energy: -219.000 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: 3, replica: 10 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2402.646862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.646862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.646862 (E_RNA) where: Base-Base interactions energy: -1595.218 where: short stacking energy: -681.761 Base-Backbone interact. energy: -4.213 local terms energy: -803.215495 where: bonds (distance) C4'-P energy: -163.054 bonds (distance) P-C4' energy: -159.062 flat angles C4'-P-C4' energy: -173.307 flat angles P-C4'-P energy: -108.808 tors. eta vs tors. theta energy: -198.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2472.740295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.740295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.740295 (E_RNA) where: Base-Base interactions energy: -1685.195 where: short stacking energy: -755.288 Base-Backbone interact. energy: -2.778 local terms energy: -784.767384 where: bonds (distance) C4'-P energy: -141.183 bonds (distance) P-C4' energy: -151.915 flat angles C4'-P-C4' energy: -175.706 flat angles P-C4'-P energy: -109.303 tors. eta vs tors. theta energy: -206.660 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: 8 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2253.255693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.255693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.255693 (E_RNA) where: Base-Base interactions energy: -1509.002 where: short stacking energy: -659.860 Base-Backbone interact. energy: 1.557 local terms energy: -745.810291 where: bonds (distance) C4'-P energy: -144.356 bonds (distance) P-C4' energy: -156.180 flat angles C4'-P-C4' energy: -162.858 flat angles P-C4'-P energy: -107.810 tors. eta vs tors. theta energy: -174.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2055.284535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.284535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.284535 (E_RNA) where: Base-Base interactions energy: -1380.233 where: short stacking energy: -596.690 Base-Backbone interact. energy: 0.106 local terms energy: -675.158245 where: bonds (distance) C4'-P energy: -119.657 bonds (distance) P-C4' energy: -139.448 flat angles C4'-P-C4' energy: -157.564 flat angles P-C4'-P energy: -103.463 tors. eta vs tors. theta energy: -155.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1741.963718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.963718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.963718 (E_RNA) where: Base-Base interactions energy: -1123.793 where: short stacking energy: -477.083 Base-Backbone interact. energy: 2.570 local terms energy: -620.740039 where: bonds (distance) C4'-P energy: -142.217 bonds (distance) P-C4' energy: -149.705 flat angles C4'-P-C4' energy: -133.108 flat angles P-C4'-P energy: -98.211 tors. eta vs tors. theta energy: -97.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1425.177798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.177798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.177798 (E_RNA) where: Base-Base interactions energy: -853.114 where: short stacking energy: -384.186 Base-Backbone interact. energy: -0.928 local terms energy: -571.135594 where: bonds (distance) C4'-P energy: -123.624 bonds (distance) P-C4' energy: -159.892 flat angles C4'-P-C4' energy: -158.638 flat angles P-C4'-P energy: -65.152 tors. eta vs tors. theta energy: -63.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1006.211285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.211285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.211285 (E_RNA) where: Base-Base interactions energy: -531.498 where: short stacking energy: -258.775 Base-Backbone interact. energy: 1.743 local terms energy: -476.456043 where: bonds (distance) C4'-P energy: -108.945 bonds (distance) P-C4' energy: -151.878 flat angles C4'-P-C4' energy: -124.008 flat angles P-C4'-P energy: -83.557 tors. eta vs tors. theta energy: -8.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -802.141558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.141558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.141558 (E_RNA) where: Base-Base interactions energy: -342.670 where: short stacking energy: -208.921 Base-Backbone interact. energy: -1.118 local terms energy: -458.353558 where: bonds (distance) C4'-P energy: -124.475 bonds (distance) P-C4' energy: -145.676 flat angles C4'-P-C4' energy: -123.240 flat angles P-C4'-P energy: -69.457 tors. eta vs tors. theta energy: 4.493 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: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2827.463634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.463634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.463634 (E_RNA) where: Base-Base interactions energy: -1934.017 where: short stacking energy: -820.304 Base-Backbone interact. energy: 4.531 local terms energy: -897.977275 where: bonds (distance) C4'-P energy: -174.007 bonds (distance) P-C4' energy: -170.624 flat angles C4'-P-C4' energy: -185.306 flat angles P-C4'-P energy: -126.627 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: 7 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2645.814402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.814402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.814402 (E_RNA) where: Base-Base interactions energy: -1782.002 where: short stacking energy: -750.132 Base-Backbone interact. energy: 0.568 local terms energy: -864.380975 where: bonds (distance) C4'-P energy: -186.935 bonds (distance) P-C4' energy: -148.554 flat angles C4'-P-C4' energy: -188.643 flat angles P-C4'-P energy: -115.210 tors. eta vs tors. theta energy: -225.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2481.356747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.356747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.356747 (E_RNA) where: Base-Base interactions energy: -1661.123 where: short stacking energy: -720.349 Base-Backbone interact. energy: -1.086 local terms energy: -819.147620 where: bonds (distance) C4'-P energy: -159.574 bonds (distance) P-C4' energy: -164.527 flat angles C4'-P-C4' energy: -172.899 flat angles P-C4'-P energy: -117.139 tors. eta vs tors. theta energy: -205.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2430.785728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.785728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.785728 (E_RNA) where: Base-Base interactions energy: -1652.843 where: short stacking energy: -711.798 Base-Backbone interact. energy: -1.154 local terms energy: -776.788802 where: bonds (distance) C4'-P energy: -149.619 bonds (distance) P-C4' energy: -160.108 flat angles C4'-P-C4' energy: -165.943 flat angles P-C4'-P energy: -100.249 tors. eta vs tors. theta energy: -200.869 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: 5, replica: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2199.057006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.057006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.057006 (E_RNA) where: Base-Base interactions energy: -1458.967 where: short stacking energy: -642.971 Base-Backbone interact. energy: -3.246 local terms energy: -736.844205 where: bonds (distance) C4'-P energy: -145.509 bonds (distance) P-C4' energy: -140.776 flat angles C4'-P-C4' energy: -157.734 flat angles P-C4'-P energy: -108.482 tors. eta vs tors. theta energy: -184.343 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: 5 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2110.635599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.635599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.635599 (E_RNA) where: Base-Base interactions energy: -1434.195 where: short stacking energy: -613.235 Base-Backbone interact. energy: 3.911 local terms energy: -680.351575 where: bonds (distance) C4'-P energy: -139.880 bonds (distance) P-C4' energy: -144.382 flat angles C4'-P-C4' energy: -159.953 flat angles P-C4'-P energy: -97.940 tors. eta vs tors. theta energy: -138.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1729.012184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.012184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.012184 (E_RNA) where: Base-Base interactions energy: -1089.268 where: short stacking energy: -473.221 Base-Backbone interact. energy: 1.772 local terms energy: -641.516180 where: bonds (distance) C4'-P energy: -149.543 bonds (distance) P-C4' energy: -158.851 flat angles C4'-P-C4' energy: -141.618 flat angles P-C4'-P energy: -95.664 tors. eta vs tors. theta energy: -95.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1403.252251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.252251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.252251 (E_RNA) where: Base-Base interactions energy: -868.906 where: short stacking energy: -382.868 Base-Backbone interact. energy: 4.649 local terms energy: -538.995162 where: bonds (distance) C4'-P energy: -125.396 bonds (distance) P-C4' energy: -155.672 flat angles C4'-P-C4' energy: -145.479 flat angles P-C4'-P energy: -62.102 tors. eta vs tors. theta energy: -50.346 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: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1068.659489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.659489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.659489 (E_RNA) where: Base-Base interactions energy: -564.075 where: short stacking energy: -302.165 Base-Backbone interact. energy: 1.034 local terms energy: -505.618039 where: bonds (distance) C4'-P energy: -134.103 bonds (distance) P-C4' energy: -156.135 flat angles C4'-P-C4' energy: -101.131 flat angles P-C4'-P energy: -73.822 tors. eta vs tors. theta energy: -40.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -742.400694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.400694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.400694 (E_RNA) where: Base-Base interactions energy: -323.173 where: short stacking energy: -217.249 Base-Backbone interact. energy: 1.245 local terms energy: -420.473248 where: bonds (distance) C4'-P energy: -124.199 bonds (distance) P-C4' energy: -133.570 flat angles C4'-P-C4' energy: -129.764 flat angles P-C4'-P energy: -53.146 tors. eta vs tors. theta energy: 20.206 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: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2853.932051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.932051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.932051 (E_RNA) where: Base-Base interactions energy: -1943.144 where: short stacking energy: -842.792 Base-Backbone interact. energy: -3.462 local terms energy: -907.326035 where: bonds (distance) C4'-P energy: -162.917 bonds (distance) P-C4' energy: -163.311 flat angles C4'-P-C4' energy: -191.234 flat angles P-C4'-P energy: -132.923 tors. eta vs tors. theta energy: -256.940 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: 7 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2594.330420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.330420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.330420 (E_RNA) where: Base-Base interactions energy: -1761.715 where: short stacking energy: -738.771 Base-Backbone interact. energy: 2.465 local terms energy: -835.079794 where: bonds (distance) C4'-P energy: -164.208 bonds (distance) P-C4' energy: -158.028 flat angles C4'-P-C4' energy: -184.751 flat angles P-C4'-P energy: -116.311 tors. eta vs tors. theta energy: -211.781 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: 10 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2438.493546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.493546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.493546 (E_RNA) where: Base-Base interactions energy: -1625.431 where: short stacking energy: -716.505 Base-Backbone interact. energy: -2.757 local terms energy: -810.304889 where: bonds (distance) C4'-P energy: -162.078 bonds (distance) P-C4' energy: -168.744 flat angles C4'-P-C4' energy: -183.615 flat angles P-C4'-P energy: -110.441 tors. eta vs tors. theta energy: -185.426 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: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2439.945613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.945613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.945613 (E_RNA) where: Base-Base interactions energy: -1659.529 where: short stacking energy: -726.224 Base-Backbone interact. energy: 1.002 local terms energy: -781.417866 where: bonds (distance) C4'-P energy: -136.581 bonds (distance) P-C4' energy: -148.409 flat angles C4'-P-C4' energy: -176.026 flat angles P-C4'-P energy: -120.099 tors. eta vs tors. theta energy: -200.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2192.295287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.295287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.295287 (E_RNA) where: Base-Base interactions energy: -1489.375 where: short stacking energy: -663.845 Base-Backbone interact. energy: 3.787 local terms energy: -706.707580 where: bonds (distance) C4'-P energy: -143.757 bonds (distance) P-C4' energy: -140.766 flat angles C4'-P-C4' energy: -154.007 flat angles P-C4'-P energy: -97.506 tors. eta vs tors. theta energy: -170.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2074.011437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.011437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.011437 (E_RNA) where: Base-Base interactions energy: -1395.373 where: short stacking energy: -618.464 Base-Backbone interact. energy: -5.017 local terms energy: -673.621094 where: bonds (distance) C4'-P energy: -122.982 bonds (distance) P-C4' energy: -157.107 flat angles C4'-P-C4' energy: -151.388 flat angles P-C4'-P energy: -101.530 tors. eta vs tors. theta energy: -140.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1851.064944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.064944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.064944 (E_RNA) where: Base-Base interactions energy: -1240.938 where: short stacking energy: -525.655 Base-Backbone interact. energy: 5.613 local terms energy: -615.740094 where: bonds (distance) C4'-P energy: -127.000 bonds (distance) P-C4' energy: -137.280 flat angles C4'-P-C4' energy: -151.944 flat angles P-C4'-P energy: -82.731 tors. eta vs tors. theta energy: -116.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1445.704628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.704628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.704628 (E_RNA) where: Base-Base interactions energy: -869.597 where: short stacking energy: -411.431 Base-Backbone interact. energy: -0.717 local terms energy: -575.389979 where: bonds (distance) C4'-P energy: -142.600 bonds (distance) P-C4' energy: -128.826 flat angles C4'-P-C4' energy: -154.351 flat angles P-C4'-P energy: -77.783 tors. eta vs tors. theta energy: -71.831 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: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1086.366990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.366990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.366990 (E_RNA) where: Base-Base interactions energy: -581.403 where: short stacking energy: -303.866 Base-Backbone interact. energy: 3.974 local terms energy: -508.937920 where: bonds (distance) C4'-P energy: -157.256 bonds (distance) P-C4' energy: -151.028 flat angles C4'-P-C4' energy: -120.771 flat angles P-C4'-P energy: -77.642 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -745.319260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.319260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.319260 (E_RNA) where: Base-Base interactions energy: -325.179 where: short stacking energy: -193.376 Base-Backbone interact. energy: 5.775 local terms energy: -425.915189 where: bonds (distance) C4'-P energy: -134.308 bonds (distance) P-C4' energy: -138.723 flat angles C4'-P-C4' energy: -101.405 flat angles P-C4'-P energy: -78.878 tors. eta vs tors. theta energy: 27.399 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: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2841.083803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.083803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.083803 (E_RNA) where: Base-Base interactions energy: -1962.786 where: short stacking energy: -842.880 Base-Backbone interact. energy: -0.305 local terms energy: -877.992918 where: bonds (distance) C4'-P energy: -163.570 bonds (distance) P-C4' energy: -161.521 flat angles C4'-P-C4' energy: -185.253 flat angles P-C4'-P energy: -131.930 tors. eta vs tors. theta energy: -235.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2586.809467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.809467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.809467 (E_RNA) where: Base-Base interactions energy: -1782.217 where: short stacking energy: -742.320 Base-Backbone interact. energy: -1.984 local terms energy: -802.609124 where: bonds (distance) C4'-P energy: -134.939 bonds (distance) P-C4' energy: -159.106 flat angles C4'-P-C4' energy: -174.560 flat angles P-C4'-P energy: -119.379 tors. eta vs tors. theta energy: -214.625 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: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2536.959069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.959069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.959069 (E_RNA) where: Base-Base interactions energy: -1685.175 where: short stacking energy: -735.632 Base-Backbone interact. energy: -3.118 local terms energy: -848.665634 where: bonds (distance) C4'-P energy: -157.511 bonds (distance) P-C4' energy: -170.339 flat angles C4'-P-C4' energy: -181.661 flat angles P-C4'-P energy: -114.091 tors. eta vs tors. theta energy: -225.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2359.183917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.183917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.183917 (E_RNA) where: Base-Base interactions energy: -1551.565 where: short stacking energy: -680.405 Base-Backbone interact. energy: 2.161 local terms energy: -809.779533 where: bonds (distance) C4'-P energy: -157.542 bonds (distance) P-C4' energy: -163.110 flat angles C4'-P-C4' energy: -179.632 flat angles P-C4'-P energy: -121.353 tors. eta vs tors. theta energy: -188.142 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: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2139.216772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.216772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.216772 (E_RNA) where: Base-Base interactions energy: -1417.273 where: short stacking energy: -604.702 Base-Backbone interact. energy: -2.363 local terms energy: -719.580650 where: bonds (distance) C4'-P energy: -136.800 bonds (distance) P-C4' energy: -164.594 flat angles C4'-P-C4' energy: -151.507 flat angles P-C4'-P energy: -108.896 tors. eta vs tors. theta energy: -157.783 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: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2046.531367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.531367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.531367 (E_RNA) where: Base-Base interactions energy: -1340.200 where: short stacking energy: -597.506 Base-Backbone interact. energy: -7.165 local terms energy: -699.166548 where: bonds (distance) C4'-P energy: -149.366 bonds (distance) P-C4' energy: -150.200 flat angles C4'-P-C4' energy: -164.215 flat angles P-C4'-P energy: -97.853 tors. eta vs tors. theta energy: -137.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1908.683893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.683893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.683893 (E_RNA) where: Base-Base interactions energy: -1241.341 where: short stacking energy: -559.319 Base-Backbone interact. energy: -3.608 local terms energy: -663.734852 where: bonds (distance) C4'-P energy: -153.377 bonds (distance) P-C4' energy: -130.287 flat angles C4'-P-C4' energy: -144.171 flat angles P-C4'-P energy: -109.606 tors. eta vs tors. theta energy: -126.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1394.499918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.499918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.499918 (E_RNA) where: Base-Base interactions energy: -799.312 where: short stacking energy: -355.366 Base-Backbone interact. energy: -0.505 local terms energy: -594.682862 where: bonds (distance) C4'-P energy: -145.568 bonds (distance) P-C4' energy: -158.909 flat angles C4'-P-C4' energy: -142.734 flat angles P-C4'-P energy: -93.713 tors. eta vs tors. theta energy: -53.760 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: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -990.721544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.721544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.721544 (E_RNA) where: Base-Base interactions energy: -515.457 where: short stacking energy: -287.984 Base-Backbone interact. energy: 13.863 local terms energy: -489.127310 where: bonds (distance) C4'-P energy: -129.024 bonds (distance) P-C4' energy: -131.923 flat angles C4'-P-C4' energy: -119.616 flat angles P-C4'-P energy: -78.228 tors. eta vs tors. theta energy: -30.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -796.339491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.339491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.339491 (E_RNA) where: Base-Base interactions energy: -388.562 where: short stacking energy: -240.265 Base-Backbone interact. energy: 4.855 local terms energy: -412.632311 where: bonds (distance) C4'-P energy: -118.966 bonds (distance) P-C4' energy: -139.727 flat angles C4'-P-C4' energy: -107.174 flat angles P-C4'-P energy: -66.152 tors. eta vs tors. theta energy: 19.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2868.906204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.906204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.906204 (E_RNA) where: Base-Base interactions energy: -1960.180 where: short stacking energy: -850.046 Base-Backbone interact. energy: 1.115 local terms energy: -909.841110 where: bonds (distance) C4'-P energy: -154.860 bonds (distance) P-C4' energy: -174.445 flat angles C4'-P-C4' energy: -193.055 flat angles P-C4'-P energy: -136.224 tors. eta vs tors. theta energy: -251.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2601.591070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.591070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.591070 (E_RNA) where: Base-Base interactions energy: -1805.364 where: short stacking energy: -764.530 Base-Backbone interact. energy: -3.424 local terms energy: -792.803227 where: bonds (distance) C4'-P energy: -137.649 bonds (distance) P-C4' energy: -159.550 flat angles C4'-P-C4' energy: -165.231 flat angles P-C4'-P energy: -117.333 tors. eta vs tors. theta energy: -213.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2551.140775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.140775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.140775 (E_RNA) where: Base-Base interactions energy: -1733.353 where: short stacking energy: -721.975 Base-Backbone interact. energy: -3.313 local terms energy: -814.474868 where: bonds (distance) C4'-P energy: -154.185 bonds (distance) P-C4' energy: -156.868 flat angles C4'-P-C4' energy: -177.739 flat angles P-C4'-P energy: -116.796 tors. eta vs tors. theta energy: -208.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2418.008560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.008560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.008560 (E_RNA) where: Base-Base interactions energy: -1630.494 where: short stacking energy: -700.143 Base-Backbone interact. energy: -2.038 local terms energy: -785.476577 where: bonds (distance) C4'-P energy: -153.950 bonds (distance) P-C4' energy: -153.549 flat angles C4'-P-C4' energy: -159.247 flat angles P-C4'-P energy: -113.853 tors. eta vs tors. theta energy: -204.877 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: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2174.507330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.507330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.507330 (E_RNA) where: Base-Base interactions energy: -1462.925 where: short stacking energy: -618.664 Base-Backbone interact. energy: 0.425 local terms energy: -712.006962 where: bonds (distance) C4'-P energy: -139.380 bonds (distance) P-C4' energy: -145.679 flat angles C4'-P-C4' energy: -167.765 flat angles P-C4'-P energy: -99.623 tors. eta vs tors. theta energy: -159.560 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: 5 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2009.698357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.698357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.698357 (E_RNA) where: Base-Base interactions energy: -1326.105 where: short stacking energy: -572.250 Base-Backbone interact. energy: 1.957 local terms energy: -685.550888 where: bonds (distance) C4'-P energy: -134.222 bonds (distance) P-C4' energy: -154.874 flat angles C4'-P-C4' energy: -150.770 flat angles P-C4'-P energy: -103.707 tors. eta vs tors. theta energy: -141.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1747.301768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.301768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.301768 (E_RNA) where: Base-Base interactions energy: -1122.669 where: short stacking energy: -508.981 Base-Backbone interact. energy: -1.324 local terms energy: -623.308466 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -138.318 flat angles C4'-P-C4' energy: -137.759 flat angles P-C4'-P energy: -71.443 tors. eta vs tors. theta energy: -128.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1435.816334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.816334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.816334 (E_RNA) where: Base-Base interactions energy: -888.719 where: short stacking energy: -398.175 Base-Backbone interact. energy: -0.416 local terms energy: -546.681190 where: bonds (distance) C4'-P energy: -144.630 bonds (distance) P-C4' energy: -145.384 flat angles C4'-P-C4' energy: -98.594 flat angles P-C4'-P energy: -88.995 tors. eta vs tors. theta energy: -69.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -939.343621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.343621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.343621 (E_RNA) where: Base-Base interactions energy: -476.728 where: short stacking energy: -256.246 Base-Backbone interact. energy: -3.583 local terms energy: -459.032252 where: bonds (distance) C4'-P energy: -143.680 bonds (distance) P-C4' energy: -142.378 flat angles C4'-P-C4' energy: -121.594 flat angles P-C4'-P energy: -48.030 tors. eta vs tors. theta energy: -3.349 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: 6 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -741.871015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.871015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.871015 (E_RNA) where: Base-Base interactions energy: -325.666 where: short stacking energy: -192.783 Base-Backbone interact. energy: 0.761 local terms energy: -416.965384 where: bonds (distance) C4'-P energy: -131.860 bonds (distance) P-C4' energy: -163.676 flat angles C4'-P-C4' energy: -89.716 flat angles P-C4'-P energy: -60.738 tors. eta vs tors. theta energy: 29.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2838.665345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.665345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.665345 (E_RNA) where: Base-Base interactions energy: -1954.985 where: short stacking energy: -837.809 Base-Backbone interact. energy: -0.501 local terms energy: -883.180038 where: bonds (distance) C4'-P energy: -152.992 bonds (distance) P-C4' energy: -169.325 flat angles C4'-P-C4' energy: -186.161 flat angles P-C4'-P energy: -133.629 tors. eta vs tors. theta energy: -241.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2594.189189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.189189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.189189 (E_RNA) where: Base-Base interactions energy: -1758.039 where: short stacking energy: -760.260 Base-Backbone interact. energy: 0.106 local terms energy: -836.255995 where: bonds (distance) C4'-P energy: -149.386 bonds (distance) P-C4' energy: -180.325 flat angles C4'-P-C4' energy: -184.820 flat angles P-C4'-P energy: -109.879 tors. eta vs tors. theta energy: -211.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2539.118847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.118847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.118847 (E_RNA) where: Base-Base interactions energy: -1736.371 where: short stacking energy: -727.535 Base-Backbone interact. energy: -0.651 local terms energy: -802.097553 where: bonds (distance) C4'-P energy: -154.939 bonds (distance) P-C4' energy: -154.027 flat angles C4'-P-C4' energy: -182.600 flat angles P-C4'-P energy: -118.637 tors. eta vs tors. theta energy: -191.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2377.856387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.856387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.856387 (E_RNA) where: Base-Base interactions energy: -1597.418 where: short stacking energy: -691.481 Base-Backbone interact. energy: -1.990 local terms energy: -778.448127 where: bonds (distance) C4'-P energy: -151.083 bonds (distance) P-C4' energy: -157.897 flat angles C4'-P-C4' energy: -152.026 flat angles P-C4'-P energy: -123.464 tors. eta vs tors. theta energy: -193.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2058.158869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.158869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.158869 (E_RNA) where: Base-Base interactions energy: -1357.886 where: short stacking energy: -573.857 Base-Backbone interact. energy: -3.085 local terms energy: -697.188521 where: bonds (distance) C4'-P energy: -147.662 bonds (distance) P-C4' energy: -159.768 flat angles C4'-P-C4' energy: -157.202 flat angles P-C4'-P energy: -108.599 tors. eta vs tors. theta energy: -123.958 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: 190 Temperature: 1.150000 Total energy: -2050.937264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.937264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.937264 (E_RNA) where: Base-Base interactions energy: -1330.762 where: short stacking energy: -599.133 Base-Backbone interact. energy: -5.058 local terms energy: -715.117773 where: bonds (distance) C4'-P energy: -134.224 bonds (distance) P-C4' energy: -148.502 flat angles C4'-P-C4' energy: -176.934 flat angles P-C4'-P energy: -95.385 tors. eta vs tors. theta energy: -160.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1743.078596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.078596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.078596 (E_RNA) where: Base-Base interactions energy: -1138.593 where: short stacking energy: -479.017 Base-Backbone interact. energy: 4.649 local terms energy: -609.134736 where: bonds (distance) C4'-P energy: -120.721 bonds (distance) P-C4' energy: -140.884 flat angles C4'-P-C4' energy: -140.844 flat angles P-C4'-P energy: -99.879 tors. eta vs tors. theta energy: -106.807 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: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1416.790800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.790800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.790800 (E_RNA) where: Base-Base interactions energy: -823.522 where: short stacking energy: -381.664 Base-Backbone interact. energy: 6.692 local terms energy: -599.961590 where: bonds (distance) C4'-P energy: -152.201 bonds (distance) P-C4' energy: -138.132 flat angles C4'-P-C4' energy: -140.006 flat angles P-C4'-P energy: -92.173 tors. eta vs tors. theta energy: -77.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -966.627932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.627932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.627932 (E_RNA) where: Base-Base interactions energy: -479.832 where: short stacking energy: -264.101 Base-Backbone interact. energy: 5.888 local terms energy: -492.684088 where: bonds (distance) C4'-P energy: -125.765 bonds (distance) P-C4' energy: -133.037 flat angles C4'-P-C4' energy: -127.827 flat angles P-C4'-P energy: -71.477 tors. eta vs tors. theta energy: -34.579 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: 6 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -727.027771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.027771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.027771 (E_RNA) where: Base-Base interactions energy: -306.390 where: short stacking energy: -210.307 Base-Backbone interact. energy: 2.129 local terms energy: -422.766832 where: bonds (distance) C4'-P energy: -141.977 bonds (distance) P-C4' energy: -129.933 flat angles C4'-P-C4' energy: -90.098 flat angles P-C4'-P energy: -79.663 tors. eta vs tors. theta energy: 18.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2819.461775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.461775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.461775 (E_RNA) where: Base-Base interactions energy: -1960.173 where: short stacking energy: -838.398 Base-Backbone interact. energy: -3.041 local terms energy: -856.248124 where: bonds (distance) C4'-P energy: -143.344 bonds (distance) P-C4' energy: -169.408 flat angles C4'-P-C4' energy: -191.349 flat angles P-C4'-P energy: -112.620 tors. eta vs tors. theta energy: -239.528 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: 3 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2598.902177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.902177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.902177 (E_RNA) where: Base-Base interactions energy: -1745.167 where: short stacking energy: -736.725 Base-Backbone interact. energy: -0.356 local terms energy: -853.378746 where: bonds (distance) C4'-P energy: -158.615 bonds (distance) P-C4' energy: -175.065 flat angles C4'-P-C4' energy: -176.330 flat angles P-C4'-P energy: -129.257 tors. eta vs tors. theta energy: -214.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2524.244218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.244218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.244218 (E_RNA) where: Base-Base interactions energy: -1701.268 where: short stacking energy: -740.572 Base-Backbone interact. energy: -2.914 local terms energy: -820.062204 where: bonds (distance) C4'-P energy: -157.166 bonds (distance) P-C4' energy: -158.850 flat angles C4'-P-C4' energy: -173.352 flat angles P-C4'-P energy: -117.621 tors. eta vs tors. theta energy: -213.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2377.241767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.241767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.241767 (E_RNA) where: Base-Base interactions energy: -1585.813 where: short stacking energy: -661.602 Base-Backbone interact. energy: -1.112 local terms energy: -790.317265 where: bonds (distance) C4'-P energy: -158.633 bonds (distance) P-C4' energy: -161.284 flat angles C4'-P-C4' energy: -155.089 flat angles P-C4'-P energy: -112.350 tors. eta vs tors. theta energy: -202.961 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: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2050.385833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.385833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.385833 (E_RNA) where: Base-Base interactions energy: -1361.960 where: short stacking energy: -582.633 Base-Backbone interact. energy: -1.727 local terms energy: -686.698839 where: bonds (distance) C4'-P energy: -141.740 bonds (distance) P-C4' energy: -160.914 flat angles C4'-P-C4' energy: -153.410 flat angles P-C4'-P energy: -93.555 tors. eta vs tors. theta energy: -137.080 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: 8 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2038.295123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.295123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.295123 (E_RNA) where: Base-Base interactions energy: -1371.984 where: short stacking energy: -581.602 Base-Backbone interact. energy: -0.053 local terms energy: -666.258454 where: bonds (distance) C4'-P energy: -111.511 bonds (distance) P-C4' energy: -143.720 flat angles C4'-P-C4' energy: -159.235 flat angles P-C4'-P energy: -104.753 tors. eta vs tors. theta energy: -147.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1798.410561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.410561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.410561 (E_RNA) where: Base-Base interactions energy: -1140.392 where: short stacking energy: -497.951 Base-Backbone interact. energy: -2.625 local terms energy: -655.393202 where: bonds (distance) C4'-P energy: -130.359 bonds (distance) P-C4' energy: -156.632 flat angles C4'-P-C4' energy: -146.871 flat angles P-C4'-P energy: -92.410 tors. eta vs tors. theta energy: -129.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1474.350271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.350271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.350271 (E_RNA) where: Base-Base interactions energy: -906.915 where: short stacking energy: -412.373 Base-Backbone interact. energy: 9.461 local terms energy: -576.895874 where: bonds (distance) C4'-P energy: -132.361 bonds (distance) P-C4' energy: -153.842 flat angles C4'-P-C4' energy: -145.962 flat angles P-C4'-P energy: -82.798 tors. eta vs tors. theta energy: -61.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1042.326057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.326057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.326057 (E_RNA) where: Base-Base interactions energy: -558.674 where: short stacking energy: -319.574 Base-Backbone interact. energy: 2.970 local terms energy: -486.622351 where: bonds (distance) C4'-P energy: -126.404 bonds (distance) P-C4' energy: -128.363 flat angles C4'-P-C4' energy: -135.730 flat angles P-C4'-P energy: -68.387 tors. eta vs tors. theta energy: -27.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -765.744545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.744545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.744545 (E_RNA) where: Base-Base interactions energy: -353.863 where: short stacking energy: -220.727 Base-Backbone interact. energy: 9.453 local terms energy: -421.334353 where: bonds (distance) C4'-P energy: -121.347 bonds (distance) P-C4' energy: -138.164 flat angles C4'-P-C4' energy: -87.840 flat angles P-C4'-P energy: -89.024 tors. eta vs tors. theta energy: 15.041 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: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2817.687803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.687803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.687803 (E_RNA) where: Base-Base interactions energy: -1898.813 where: short stacking energy: -805.430 Base-Backbone interact. energy: -5.547 local terms energy: -913.327910 where: bonds (distance) C4'-P energy: -176.328 bonds (distance) P-C4' energy: -177.349 flat angles C4'-P-C4' energy: -194.742 flat angles P-C4'-P energy: -122.764 tors. eta vs tors. theta energy: -242.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2618.757317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.757317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.757317 (E_RNA) where: Base-Base interactions energy: -1784.306 where: short stacking energy: -764.816 Base-Backbone interact. energy: -4.177 local terms energy: -830.274136 where: bonds (distance) C4'-P energy: -152.778 bonds (distance) P-C4' energy: -159.737 flat angles C4'-P-C4' energy: -191.550 flat angles P-C4'-P energy: -107.064 tors. eta vs tors. theta energy: -219.145 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: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2539.383882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.383882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.383882 (E_RNA) where: Base-Base interactions energy: -1735.928 where: short stacking energy: -728.400 Base-Backbone interact. energy: -3.575 local terms energy: -799.880928 where: bonds (distance) C4'-P energy: -145.667 bonds (distance) P-C4' energy: -148.715 flat angles C4'-P-C4' energy: -187.855 flat angles P-C4'-P energy: -112.744 tors. eta vs tors. theta energy: -204.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2394.014497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.014497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.014497 (E_RNA) where: Base-Base interactions energy: -1637.099 where: short stacking energy: -702.924 Base-Backbone interact. energy: -3.790 local terms energy: -753.125055 where: bonds (distance) C4'-P energy: -149.098 bonds (distance) P-C4' energy: -131.593 flat angles C4'-P-C4' energy: -165.474 flat angles P-C4'-P energy: -113.085 tors. eta vs tors. theta energy: -193.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2125.488722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.488722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.488722 (E_RNA) where: Base-Base interactions energy: -1410.271 where: short stacking energy: -641.376 Base-Backbone interact. energy: -0.824 local terms energy: -714.393857 where: bonds (distance) C4'-P energy: -136.950 bonds (distance) P-C4' energy: -154.721 flat angles C4'-P-C4' energy: -162.381 flat angles P-C4'-P energy: -97.870 tors. eta vs tors. theta energy: -162.473 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: 6, replica: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2060.310847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.310847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.310847 (E_RNA) where: Base-Base interactions energy: -1359.666 where: short stacking energy: -598.313 Base-Backbone interact. energy: -2.820 local terms energy: -697.824561 where: bonds (distance) C4'-P energy: -151.973 bonds (distance) P-C4' energy: -148.436 flat angles C4'-P-C4' energy: -144.556 flat angles P-C4'-P energy: -96.737 tors. eta vs tors. theta energy: -156.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1805.037442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.037442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.037442 (E_RNA) where: Base-Base interactions energy: -1140.568 where: short stacking energy: -480.881 Base-Backbone interact. energy: -1.353 local terms energy: -663.116387 where: bonds (distance) C4'-P energy: -148.804 bonds (distance) P-C4' energy: -142.595 flat angles C4'-P-C4' energy: -148.987 flat angles P-C4'-P energy: -92.357 tors. eta vs tors. theta energy: -130.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1497.427236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.427236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.427236 (E_RNA) where: Base-Base interactions energy: -940.212 where: short stacking energy: -427.081 Base-Backbone interact. energy: -1.278 local terms energy: -555.936692 where: bonds (distance) C4'-P energy: -129.388 bonds (distance) P-C4' energy: -141.618 flat angles C4'-P-C4' energy: -126.232 flat angles P-C4'-P energy: -74.185 tors. eta vs tors. theta energy: -84.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1022.847043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.847043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.847043 (E_RNA) where: Base-Base interactions energy: -539.769 where: short stacking energy: -260.362 Base-Backbone interact. energy: -3.038 local terms energy: -480.039984 where: bonds (distance) C4'-P energy: -126.399 bonds (distance) P-C4' energy: -144.180 flat angles C4'-P-C4' energy: -126.749 flat angles P-C4'-P energy: -71.700 tors. eta vs tors. theta energy: -11.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -717.183997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.183997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.183997 (E_RNA) where: Base-Base interactions energy: -271.413 where: short stacking energy: -181.299 Base-Backbone interact. energy: -3.422 local terms energy: -442.348184 where: bonds (distance) C4'-P energy: -147.075 bonds (distance) P-C4' energy: -150.279 flat angles C4'-P-C4' energy: -113.596 flat angles P-C4'-P energy: -46.848 tors. eta vs tors. theta energy: 15.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2847.658857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.658857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.658857 (E_RNA) where: Base-Base interactions energy: -1962.952 where: short stacking energy: -834.743 Base-Backbone interact. energy: -3.128 local terms energy: -881.579089 where: bonds (distance) C4'-P energy: -162.754 bonds (distance) P-C4' energy: -164.835 flat angles C4'-P-C4' energy: -174.907 flat angles P-C4'-P energy: -128.959 tors. eta vs tors. theta energy: -250.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2624.043663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.043663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.043663 (E_RNA) where: Base-Base interactions energy: -1796.738 where: short stacking energy: -759.516 Base-Backbone interact. energy: -4.639 local terms energy: -822.666613 where: bonds (distance) C4'-P energy: -156.731 bonds (distance) P-C4' energy: -150.163 flat angles C4'-P-C4' energy: -182.519 flat angles P-C4'-P energy: -109.566 tors. eta vs tors. theta energy: -223.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2489.494450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.494450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.494450 (E_RNA) where: Base-Base interactions energy: -1676.167 where: short stacking energy: -686.784 Base-Backbone interact. energy: -4.830 local terms energy: -808.497349 where: bonds (distance) C4'-P energy: -164.946 bonds (distance) P-C4' energy: -162.702 flat angles C4'-P-C4' energy: -170.562 flat angles P-C4'-P energy: -114.573 tors. eta vs tors. theta energy: -195.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2404.419911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.419911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.419911 (E_RNA) where: Base-Base interactions energy: -1624.865 where: short stacking energy: -699.805 Base-Backbone interact. energy: -0.182 local terms energy: -779.373274 where: bonds (distance) C4'-P energy: -132.446 bonds (distance) P-C4' energy: -153.840 flat angles C4'-P-C4' energy: -169.719 flat angles P-C4'-P energy: -127.248 tors. eta vs tors. theta energy: -196.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2079.635171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.635171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.635171 (E_RNA) where: Base-Base interactions energy: -1389.746 where: short stacking energy: -590.372 Base-Backbone interact. energy: 2.798 local terms energy: -692.686536 where: bonds (distance) C4'-P energy: -142.960 bonds (distance) P-C4' energy: -148.558 flat angles C4'-P-C4' energy: -154.407 flat angles P-C4'-P energy: -110.326 tors. eta vs tors. theta energy: -136.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2034.432951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.432951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.432951 (E_RNA) where: Base-Base interactions energy: -1360.290 where: short stacking energy: -601.525 Base-Backbone interact. energy: -1.826 local terms energy: -672.317156 where: bonds (distance) C4'-P energy: -129.930 bonds (distance) P-C4' energy: -150.732 flat angles C4'-P-C4' energy: -144.170 flat angles P-C4'-P energy: -90.340 tors. eta vs tors. theta energy: -157.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1836.932137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.932137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.932137 (E_RNA) where: Base-Base interactions energy: -1189.002 where: short stacking energy: -508.917 Base-Backbone interact. energy: -0.727 local terms energy: -647.203147 where: bonds (distance) C4'-P energy: -127.902 bonds (distance) P-C4' energy: -149.662 flat angles C4'-P-C4' energy: -153.848 flat angles P-C4'-P energy: -95.118 tors. eta vs tors. theta energy: -120.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1581.889188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.889188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.889188 (E_RNA) where: Base-Base interactions energy: -989.613 where: short stacking energy: -449.849 Base-Backbone interact. energy: -0.807 local terms energy: -591.468639 where: bonds (distance) C4'-P energy: -127.686 bonds (distance) P-C4' energy: -138.088 flat angles C4'-P-C4' energy: -141.552 flat angles P-C4'-P energy: -93.136 tors. eta vs tors. theta energy: -91.006 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: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -991.721218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.721218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.721218 (E_RNA) where: Base-Base interactions energy: -505.808 where: short stacking energy: -287.888 Base-Backbone interact. energy: -3.447 local terms energy: -482.466951 where: bonds (distance) C4'-P energy: -111.211 bonds (distance) P-C4' energy: -129.609 flat angles C4'-P-C4' energy: -138.626 flat angles P-C4'-P energy: -88.393 tors. eta vs tors. theta energy: -14.628 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: 10, replica: 6 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -753.734011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.734011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.734011 (E_RNA) where: Base-Base interactions energy: -342.207 where: short stacking energy: -200.446 Base-Backbone interact. energy: -0.386 local terms energy: -411.140911 where: bonds (distance) C4'-P energy: -111.766 bonds (distance) P-C4' energy: -120.933 flat angles C4'-P-C4' energy: -133.127 flat angles P-C4'-P energy: -61.066 tors. eta vs tors. theta energy: 15.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2820.461149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.461149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.461149 (E_RNA) where: Base-Base interactions energy: -1954.209 where: short stacking energy: -818.272 Base-Backbone interact. energy: -3.614 local terms energy: -862.638720 where: bonds (distance) C4'-P energy: -152.989 bonds (distance) P-C4' energy: -167.733 flat angles C4'-P-C4' energy: -177.385 flat angles P-C4'-P energy: -121.105 tors. eta vs tors. theta energy: -243.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2599.277995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.277995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.277995 (E_RNA) where: Base-Base interactions energy: -1780.569 where: short stacking energy: -794.002 Base-Backbone interact. energy: -2.448 local terms energy: -816.261113 where: bonds (distance) C4'-P energy: -138.828 bonds (distance) P-C4' energy: -171.219 flat angles C4'-P-C4' energy: -170.318 flat angles P-C4'-P energy: -108.723 tors. eta vs tors. theta energy: -227.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2455.242706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.242706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.242706 (E_RNA) where: Base-Base interactions energy: -1643.338 where: short stacking energy: -719.304 Base-Backbone interact. energy: -0.372 local terms energy: -811.532861 where: bonds (distance) C4'-P energy: -143.269 bonds (distance) P-C4' energy: -177.989 flat angles C4'-P-C4' energy: -177.159 flat angles P-C4'-P energy: -109.712 tors. eta vs tors. theta energy: -203.404 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: 10 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2389.644618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.644618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.644618 (E_RNA) where: Base-Base interactions energy: -1634.811 where: short stacking energy: -717.977 Base-Backbone interact. energy: 0.473 local terms energy: -755.307566 where: bonds (distance) C4'-P energy: -141.834 bonds (distance) P-C4' energy: -149.963 flat angles C4'-P-C4' energy: -167.600 flat angles P-C4'-P energy: -99.271 tors. eta vs tors. theta energy: -196.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2143.693408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.693408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.693408 (E_RNA) where: Base-Base interactions energy: -1419.549 where: short stacking energy: -620.428 Base-Backbone interact. energy: -4.632 local terms energy: -719.512036 where: bonds (distance) C4'-P energy: -147.584 bonds (distance) P-C4' energy: -163.310 flat angles C4'-P-C4' energy: -149.078 flat angles P-C4'-P energy: -112.515 tors. eta vs tors. theta energy: -147.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1942.553866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.553866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.553866 (E_RNA) where: Base-Base interactions energy: -1296.761 where: short stacking energy: -566.997 Base-Backbone interact. energy: 3.229 local terms energy: -649.021955 where: bonds (distance) C4'-P energy: -142.948 bonds (distance) P-C4' energy: -142.735 flat angles C4'-P-C4' energy: -141.335 flat angles P-C4'-P energy: -93.485 tors. eta vs tors. theta energy: -128.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1804.650983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.650983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.650983 (E_RNA) where: Base-Base interactions energy: -1138.314 where: short stacking energy: -517.757 Base-Backbone interact. energy: 0.974 local terms energy: -667.311273 where: bonds (distance) C4'-P energy: -147.446 bonds (distance) P-C4' energy: -153.949 flat angles C4'-P-C4' energy: -145.800 flat angles P-C4'-P energy: -94.020 tors. eta vs tors. theta energy: -126.096 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: 4 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1651.581477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.581477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.581477 (E_RNA) where: Base-Base interactions energy: -1033.010 where: short stacking energy: -452.982 Base-Backbone interact. energy: 5.188 local terms energy: -623.760009 where: bonds (distance) C4'-P energy: -134.362 bonds (distance) P-C4' energy: -156.560 flat angles C4'-P-C4' energy: -139.758 flat angles P-C4'-P energy: -89.241 tors. eta vs tors. theta energy: -103.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1011.217674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.217674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.217674 (E_RNA) where: Base-Base interactions energy: -531.858 where: short stacking energy: -266.929 Base-Backbone interact. energy: 5.262 local terms energy: -484.622017 where: bonds (distance) C4'-P energy: -142.331 bonds (distance) P-C4' energy: -127.575 flat angles C4'-P-C4' energy: -111.020 flat angles P-C4'-P energy: -89.068 tors. eta vs tors. theta energy: -14.628 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: 10, replica: 6 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -693.466986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.466986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.466986 (E_RNA) where: Base-Base interactions energy: -251.497 where: short stacking energy: -173.907 Base-Backbone interact. energy: -1.702 local terms energy: -440.268917 where: bonds (distance) C4'-P energy: -137.525 bonds (distance) P-C4' energy: -144.363 flat angles C4'-P-C4' energy: -106.589 flat angles P-C4'-P energy: -69.959 tors. eta vs tors. theta energy: 18.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2823.350705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.350705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.350705 (E_RNA) where: Base-Base interactions energy: -1926.945 where: short stacking energy: -820.058 Base-Backbone interact. energy: -1.544 local terms energy: -894.861862 where: bonds (distance) C4'-P energy: -173.176 bonds (distance) P-C4' energy: -158.869 flat angles C4'-P-C4' energy: -198.444 flat angles P-C4'-P energy: -124.266 tors. eta vs tors. theta energy: -240.107 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: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2643.673286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.673286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.673286 (E_RNA) where: Base-Base interactions energy: -1791.317 where: short stacking energy: -777.572 Base-Backbone interact. energy: -0.801 local terms energy: -851.555277 where: bonds (distance) C4'-P energy: -177.971 bonds (distance) P-C4' energy: -170.565 flat angles C4'-P-C4' energy: -180.709 flat angles P-C4'-P energy: -107.187 tors. eta vs tors. theta energy: -215.123 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: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2505.890398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.890398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.890398 (E_RNA) where: Base-Base interactions energy: -1690.809 where: short stacking energy: -739.962 Base-Backbone interact. energy: -1.741 local terms energy: -813.340181 where: bonds (distance) C4'-P energy: -157.232 bonds (distance) P-C4' energy: -154.860 flat angles C4'-P-C4' energy: -165.320 flat angles P-C4'-P energy: -119.561 tors. eta vs tors. theta energy: -216.368 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: 4, replica: 10 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2410.532821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.532821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.532821 (E_RNA) where: Base-Base interactions energy: -1630.220 where: short stacking energy: -711.903 Base-Backbone interact. energy: -0.951 local terms energy: -779.362596 where: bonds (distance) C4'-P energy: -149.315 bonds (distance) P-C4' energy: -153.107 flat angles C4'-P-C4' energy: -166.052 flat angles P-C4'-P energy: -108.838 tors. eta vs tors. theta energy: -202.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2143.872773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.872773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.872773 (E_RNA) where: Base-Base interactions energy: -1418.257 where: short stacking energy: -607.673 Base-Backbone interact. energy: 0.621 local terms energy: -726.236468 where: bonds (distance) C4'-P energy: -153.953 bonds (distance) P-C4' energy: -143.698 flat angles C4'-P-C4' energy: -164.458 flat angles P-C4'-P energy: -100.483 tors. eta vs tors. theta energy: -163.645 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: 5 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2001.077550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.077550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.077550 (E_RNA) where: Base-Base interactions energy: -1328.955 where: short stacking energy: -576.779 Base-Backbone interact. energy: -0.655 local terms energy: -671.466859 where: bonds (distance) C4'-P energy: -157.046 bonds (distance) P-C4' energy: -139.555 flat angles C4'-P-C4' energy: -159.026 flat angles P-C4'-P energy: -83.644 tors. eta vs tors. theta energy: -132.195 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: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1834.074283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.074283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.074283 (E_RNA) where: Base-Base interactions energy: -1179.092 where: short stacking energy: -512.166 Base-Backbone interact. energy: 0.216 local terms energy: -655.197549 where: bonds (distance) C4'-P energy: -148.535 bonds (distance) P-C4' energy: -153.096 flat angles C4'-P-C4' energy: -152.804 flat angles P-C4'-P energy: -76.457 tors. eta vs tors. theta energy: -124.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1683.526741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.526741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.526741 (E_RNA) where: Base-Base interactions energy: -1079.129 where: short stacking energy: -475.558 Base-Backbone interact. energy: -0.758 local terms energy: -603.640666 where: bonds (distance) C4'-P energy: -145.993 bonds (distance) P-C4' energy: -144.644 flat angles C4'-P-C4' energy: -138.211 flat angles P-C4'-P energy: -72.838 tors. eta vs tors. theta energy: -101.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -939.063086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.063086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.063086 (E_RNA) where: Base-Base interactions energy: -508.489 where: short stacking energy: -279.134 Base-Backbone interact. energy: 0.439 local terms energy: -431.013640 where: bonds (distance) C4'-P energy: -111.203 bonds (distance) P-C4' energy: -144.533 flat angles C4'-P-C4' energy: -116.769 flat angles P-C4'-P energy: -61.033 tors. eta vs tors. theta energy: 2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -791.946326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.946326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.946326 (E_RNA) where: Base-Base interactions energy: -404.598 where: short stacking energy: -241.573 Base-Backbone interact. energy: -3.047 local terms energy: -384.302272 where: bonds (distance) C4'-P energy: -125.298 bonds (distance) P-C4' energy: -121.609 flat angles C4'-P-C4' energy: -110.419 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: 16.072 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: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2808.545376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.545376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.545376 (E_RNA) where: Base-Base interactions energy: -1939.081 where: short stacking energy: -810.404 Base-Backbone interact. energy: -2.603 local terms energy: -866.861202 where: bonds (distance) C4'-P energy: -153.889 bonds (distance) P-C4' energy: -159.328 flat angles C4'-P-C4' energy: -201.404 flat angles P-C4'-P energy: -113.608 tors. eta vs tors. theta energy: -238.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2664.738000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.738000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.738000 (E_RNA) where: Base-Base interactions energy: -1806.432 where: short stacking energy: -781.344 Base-Backbone interact. energy: -1.586 local terms energy: -856.720100 where: bonds (distance) C4'-P energy: -161.982 bonds (distance) P-C4' energy: -174.662 flat angles C4'-P-C4' energy: -181.706 flat angles P-C4'-P energy: -109.462 tors. eta vs tors. theta energy: -228.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2522.564027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.564027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.564027 (E_RNA) where: Base-Base interactions energy: -1729.248 where: short stacking energy: -735.047 Base-Backbone interact. energy: -0.162 local terms energy: -793.154765 where: bonds (distance) C4'-P energy: -155.257 bonds (distance) P-C4' energy: -163.642 flat angles C4'-P-C4' energy: -174.306 flat angles P-C4'-P energy: -98.080 tors. eta vs tors. theta energy: -201.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2410.096875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.096875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.096875 (E_RNA) where: Base-Base interactions energy: -1642.775 where: short stacking energy: -709.974 Base-Backbone interact. energy: -2.257 local terms energy: -765.065086 where: bonds (distance) C4'-P energy: -140.981 bonds (distance) P-C4' energy: -149.022 flat angles C4'-P-C4' energy: -174.034 flat angles P-C4'-P energy: -110.681 tors. eta vs tors. theta energy: -190.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2151.552827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.552827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.552827 (E_RNA) where: Base-Base interactions energy: -1448.247 where: short stacking energy: -623.892 Base-Backbone interact. energy: -1.894 local terms energy: -701.412507 where: bonds (distance) C4'-P energy: -141.960 bonds (distance) P-C4' energy: -130.190 flat angles C4'-P-C4' energy: -147.420 flat angles P-C4'-P energy: -117.033 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: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1997.935398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.935398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.935398 (E_RNA) where: Base-Base interactions energy: -1292.617 where: short stacking energy: -597.849 Base-Backbone interact. energy: -0.230 local terms energy: -705.088832 where: bonds (distance) C4'-P energy: -134.086 bonds (distance) P-C4' energy: -159.731 flat angles C4'-P-C4' energy: -175.214 flat angles P-C4'-P energy: -89.755 tors. eta vs tors. theta energy: -146.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1911.552313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.552313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.552313 (E_RNA) where: Base-Base interactions energy: -1245.012 where: short stacking energy: -505.035 Base-Backbone interact. energy: 0.079 local terms energy: -666.619560 where: bonds (distance) C4'-P energy: -143.363 bonds (distance) P-C4' energy: -159.498 flat angles C4'-P-C4' energy: -150.705 flat angles P-C4'-P energy: -95.588 tors. eta vs tors. theta energy: -117.466 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: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1594.981711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.981711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.981711 (E_RNA) where: Base-Base interactions energy: -1012.376 where: short stacking energy: -437.289 Base-Backbone interact. energy: -5.216 local terms energy: -577.390097 where: bonds (distance) C4'-P energy: -135.482 bonds (distance) P-C4' energy: -151.510 flat angles C4'-P-C4' energy: -118.352 flat angles P-C4'-P energy: -77.456 tors. eta vs tors. theta energy: -94.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -947.348368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.348368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.348368 (E_RNA) where: Base-Base interactions energy: -474.163 where: short stacking energy: -244.527 Base-Backbone interact. energy: -3.559 local terms energy: -469.626054 where: bonds (distance) C4'-P energy: -127.047 bonds (distance) P-C4' energy: -150.304 flat angles C4'-P-C4' energy: -122.923 flat angles P-C4'-P energy: -59.822 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: 10, replica: 6 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -697.208728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.208728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.208728 (E_RNA) where: Base-Base interactions energy: -293.451 where: short stacking energy: -188.192 Base-Backbone interact. energy: -0.731 local terms energy: -403.026815 where: bonds (distance) C4'-P energy: -118.413 bonds (distance) P-C4' energy: -124.772 flat angles C4'-P-C4' energy: -129.801 flat angles P-C4'-P energy: -62.754 tors. eta vs tors. theta energy: 32.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2843.338360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.338360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.338360 (E_RNA) where: Base-Base interactions energy: -1940.332 where: short stacking energy: -857.231 Base-Backbone interact. energy: -4.892 local terms energy: -898.113674 where: bonds (distance) C4'-P energy: -166.968 bonds (distance) P-C4' energy: -174.699 flat angles C4'-P-C4' energy: -181.793 flat angles P-C4'-P energy: -116.748 tors. eta vs tors. theta energy: -257.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2666.689506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.689506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.689506 (E_RNA) where: Base-Base interactions energy: -1793.040 where: short stacking energy: -788.342 Base-Backbone interact. energy: -0.920 local terms energy: -872.729020 where: bonds (distance) C4'-P energy: -171.994 bonds (distance) P-C4' energy: -173.187 flat angles C4'-P-C4' energy: -181.452 flat angles P-C4'-P energy: -122.973 tors. eta vs tors. theta energy: -223.123 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: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2517.027076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.027076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.027076 (E_RNA) where: Base-Base interactions energy: -1729.377 where: short stacking energy: -746.612 Base-Backbone interact. energy: -0.075 local terms energy: -787.574494 where: bonds (distance) C4'-P energy: -123.252 bonds (distance) P-C4' energy: -156.227 flat angles C4'-P-C4' energy: -182.086 flat angles P-C4'-P energy: -123.374 tors. eta vs tors. theta energy: -202.635 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: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2387.169889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.169889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.169889 (E_RNA) where: Base-Base interactions energy: -1607.710 where: short stacking energy: -693.208 Base-Backbone interact. energy: -1.745 local terms energy: -777.714951 where: bonds (distance) C4'-P energy: -128.993 bonds (distance) P-C4' energy: -173.855 flat angles C4'-P-C4' energy: -163.454 flat angles P-C4'-P energy: -113.194 tors. eta vs tors. theta energy: -198.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2262.588135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.588135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.588135 (E_RNA) where: Base-Base interactions energy: -1514.665 where: short stacking energy: -661.085 Base-Backbone interact. energy: 0.330 local terms energy: -748.252929 where: bonds (distance) C4'-P energy: -141.469 bonds (distance) P-C4' energy: -154.559 flat angles C4'-P-C4' energy: -180.544 flat angles P-C4'-P energy: -96.788 tors. eta vs tors. theta energy: -174.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2021.297068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.297068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.297068 (E_RNA) where: Base-Base interactions energy: -1343.635 where: short stacking energy: -586.787 Base-Backbone interact. energy: -0.610 local terms energy: -677.052592 where: bonds (distance) C4'-P energy: -138.997 bonds (distance) P-C4' energy: -146.331 flat angles C4'-P-C4' energy: -144.502 flat angles P-C4'-P energy: -102.267 tors. eta vs tors. theta energy: -144.956 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: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1912.074264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.074264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.074264 (E_RNA) where: Base-Base interactions energy: -1235.624 where: short stacking energy: -511.033 Base-Backbone interact. energy: -4.609 local terms energy: -671.841185 where: bonds (distance) C4'-P energy: -137.081 bonds (distance) P-C4' energy: -162.552 flat angles C4'-P-C4' energy: -151.408 flat angles P-C4'-P energy: -92.327 tors. eta vs tors. theta energy: -128.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1540.095509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.095509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.095509 (E_RNA) where: Base-Base interactions energy: -990.625 where: short stacking energy: -448.567 Base-Backbone interact. energy: -0.291 local terms energy: -549.179336 where: bonds (distance) C4'-P energy: -130.249 bonds (distance) P-C4' energy: -143.563 flat angles C4'-P-C4' energy: -116.049 flat angles P-C4'-P energy: -72.737 tors. eta vs tors. theta energy: -86.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -954.305025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.305025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.305025 (E_RNA) where: Base-Base interactions energy: -470.181 where: short stacking energy: -261.612 Base-Backbone interact. energy: -1.785 local terms energy: -482.339183 where: bonds (distance) C4'-P energy: -136.959 bonds (distance) P-C4' energy: -148.406 flat angles C4'-P-C4' energy: -125.687 flat angles P-C4'-P energy: -72.400 tors. eta vs tors. theta energy: 1.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -747.827928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.827928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.827928 (E_RNA) where: Base-Base interactions energy: -337.168 where: short stacking energy: -247.195 Base-Backbone interact. energy: 5.831 local terms energy: -416.491171 where: bonds (distance) C4'-P energy: -122.691 bonds (distance) P-C4' energy: -123.916 flat angles C4'-P-C4' energy: -110.290 flat angles P-C4'-P energy: -63.113 tors. eta vs tors. theta energy: 3.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2818.789696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.789696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.789696 (E_RNA) where: Base-Base interactions energy: -1936.111 where: short stacking energy: -797.559 Base-Backbone interact. energy: -2.244 local terms energy: -880.434820 where: bonds (distance) C4'-P energy: -161.272 bonds (distance) P-C4' energy: -165.052 flat angles C4'-P-C4' energy: -194.013 flat angles P-C4'-P energy: -131.838 tors. eta vs tors. theta energy: -228.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2671.210574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.210574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.210574 (E_RNA) where: Base-Base interactions energy: -1817.569 where: short stacking energy: -769.391 Base-Backbone interact. energy: -3.062 local terms energy: -850.579321 where: bonds (distance) C4'-P energy: -166.982 bonds (distance) P-C4' energy: -154.491 flat angles C4'-P-C4' energy: -186.148 flat angles P-C4'-P energy: -125.557 tors. eta vs tors. theta energy: -217.401 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: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2575.775134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.775134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.775134 (E_RNA) where: Base-Base interactions energy: -1767.743 where: short stacking energy: -756.963 Base-Backbone interact. energy: -4.169 local terms energy: -803.863597 where: bonds (distance) C4'-P energy: -150.786 bonds (distance) P-C4' energy: -160.345 flat angles C4'-P-C4' energy: -167.218 flat angles P-C4'-P energy: -106.948 tors. eta vs tors. theta energy: -218.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2403.583114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.583114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.583114 (E_RNA) where: Base-Base interactions energy: -1620.022 where: short stacking energy: -717.426 Base-Backbone interact. energy: -3.768 local terms energy: -779.792930 where: bonds (distance) C4'-P energy: -149.691 bonds (distance) P-C4' energy: -160.147 flat angles C4'-P-C4' energy: -172.575 flat angles P-C4'-P energy: -92.453 tors. eta vs tors. theta energy: -204.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2208.279016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.279016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.279016 (E_RNA) where: Base-Base interactions energy: -1488.672 where: short stacking energy: -652.940 Base-Backbone interact. energy: -2.425 local terms energy: -717.182512 where: bonds (distance) C4'-P energy: -154.283 bonds (distance) P-C4' energy: -140.305 flat angles C4'-P-C4' energy: -163.925 flat angles P-C4'-P energy: -89.130 tors. eta vs tors. theta energy: -169.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1963.641697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.641697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.641697 (E_RNA) where: Base-Base interactions energy: -1320.787 where: short stacking energy: -583.527 Base-Backbone interact. energy: 0.648 local terms energy: -643.502371 where: bonds (distance) C4'-P energy: -115.791 bonds (distance) P-C4' energy: -151.226 flat angles C4'-P-C4' energy: -140.486 flat angles P-C4'-P energy: -104.442 tors. eta vs tors. theta energy: -131.558 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: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1742.947490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.947490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.947490 (E_RNA) where: Base-Base interactions energy: -1155.496 where: short stacking energy: -484.454 Base-Backbone interact. energy: -1.796 local terms energy: -585.655608 where: bonds (distance) C4'-P energy: -111.657 bonds (distance) P-C4' energy: -133.942 flat angles C4'-P-C4' energy: -135.660 flat angles P-C4'-P energy: -87.504 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: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1545.782017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.782017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.782017 (E_RNA) where: Base-Base interactions energy: -953.071 where: short stacking energy: -448.049 Base-Backbone interact. energy: 6.205 local terms energy: -598.915935 where: bonds (distance) C4'-P energy: -134.245 bonds (distance) P-C4' energy: -152.072 flat angles C4'-P-C4' energy: -156.076 flat angles P-C4'-P energy: -81.108 tors. eta vs tors. theta energy: -75.416 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: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -965.774971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.774971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.774971 (E_RNA) where: Base-Base interactions energy: -452.223 where: short stacking energy: -246.790 Base-Backbone interact. energy: -2.654 local terms energy: -510.898308 where: bonds (distance) C4'-P energy: -145.115 bonds (distance) P-C4' energy: -134.299 flat angles C4'-P-C4' energy: -126.850 flat angles P-C4'-P energy: -95.090 tors. eta vs tors. theta energy: -9.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -703.462709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.462709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.462709 (E_RNA) where: Base-Base interactions energy: -279.123 where: short stacking energy: -212.190 Base-Backbone interact. energy: 2.858 local terms energy: -427.197731 where: bonds (distance) C4'-P energy: -126.048 bonds (distance) P-C4' energy: -109.235 flat angles C4'-P-C4' energy: -123.766 flat angles P-C4'-P energy: -64.111 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2818.777445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.777445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.777445 (E_RNA) where: Base-Base interactions energy: -1955.179 where: short stacking energy: -822.188 Base-Backbone interact. energy: -0.353 local terms energy: -863.245764 where: bonds (distance) C4'-P energy: -163.904 bonds (distance) P-C4' energy: -148.602 flat angles C4'-P-C4' energy: -192.647 flat angles P-C4'-P energy: -118.270 tors. eta vs tors. theta energy: -239.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2666.812379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.812379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.812379 (E_RNA) where: Base-Base interactions energy: -1830.485 where: short stacking energy: -779.300 Base-Backbone interact. energy: -5.797 local terms energy: -830.529488 where: bonds (distance) C4'-P energy: -150.350 bonds (distance) P-C4' energy: -157.832 flat angles C4'-P-C4' energy: -183.180 flat angles P-C4'-P energy: -118.235 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: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2583.892201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.892201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.892201 (E_RNA) where: Base-Base interactions energy: -1773.036 where: short stacking energy: -775.808 Base-Backbone interact. energy: 1.389 local terms energy: -812.244470 where: bonds (distance) C4'-P energy: -160.958 bonds (distance) P-C4' energy: -150.362 flat angles C4'-P-C4' energy: -169.471 flat angles P-C4'-P energy: -106.791 tors. eta vs tors. theta energy: -224.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2475.395565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.395565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.395565 (E_RNA) where: Base-Base interactions energy: -1705.420 where: short stacking energy: -728.702 Base-Backbone interact. energy: -1.880 local terms energy: -768.096459 where: bonds (distance) C4'-P energy: -141.463 bonds (distance) P-C4' energy: -155.321 flat angles C4'-P-C4' energy: -171.416 flat angles P-C4'-P energy: -104.010 tors. eta vs tors. theta energy: -195.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2188.779183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.779183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.779183 (E_RNA) where: Base-Base interactions energy: -1442.876 where: short stacking energy: -639.314 Base-Backbone interact. energy: -1.673 local terms energy: -744.230246 where: bonds (distance) C4'-P energy: -153.395 bonds (distance) P-C4' energy: -160.734 flat angles C4'-P-C4' energy: -160.732 flat angles P-C4'-P energy: -102.711 tors. eta vs tors. theta energy: -166.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2010.451508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.451508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.451508 (E_RNA) where: Base-Base interactions energy: -1332.683 where: short stacking energy: -614.397 Base-Backbone interact. energy: -1.842 local terms energy: -675.925754 where: bonds (distance) C4'-P energy: -131.958 bonds (distance) P-C4' energy: -166.296 flat angles C4'-P-C4' energy: -138.429 flat angles P-C4'-P energy: -80.799 tors. eta vs tors. theta energy: -158.444 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: 2 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1773.887393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.887393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.887393 (E_RNA) where: Base-Base interactions energy: -1136.938 where: short stacking energy: -482.912 Base-Backbone interact. energy: -4.959 local terms energy: -631.989925 where: bonds (distance) C4'-P energy: -149.454 bonds (distance) P-C4' energy: -138.436 flat angles C4'-P-C4' energy: -140.264 flat angles P-C4'-P energy: -94.417 tors. eta vs tors. theta energy: -109.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1532.546976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.546976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.546976 (E_RNA) where: Base-Base interactions energy: -939.161 where: short stacking energy: -444.130 Base-Backbone interact. energy: -1.883 local terms energy: -591.502721 where: bonds (distance) C4'-P energy: -143.321 bonds (distance) P-C4' energy: -134.369 flat angles C4'-P-C4' energy: -143.689 flat angles P-C4'-P energy: -80.168 tors. eta vs tors. theta energy: -89.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -989.713230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.713230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.713230 (E_RNA) where: Base-Base interactions energy: -526.017 where: short stacking energy: -315.061 Base-Backbone interact. energy: -0.569 local terms energy: -463.127365 where: bonds (distance) C4'-P energy: -114.652 bonds (distance) P-C4' energy: -154.729 flat angles C4'-P-C4' energy: -123.210 flat angles P-C4'-P energy: -60.548 tors. eta vs tors. theta energy: -9.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -707.638283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.638283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.638283 (E_RNA) where: Base-Base interactions energy: -302.513 where: short stacking energy: -236.311 Base-Backbone interact. energy: 6.718 local terms energy: -411.843252 where: bonds (distance) C4'-P energy: -139.395 bonds (distance) P-C4' energy: -129.911 flat angles C4'-P-C4' energy: -94.090 flat angles P-C4'-P energy: -64.573 tors. eta vs tors. theta energy: 16.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2844.244049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.244049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.244049 (E_RNA) where: Base-Base interactions energy: -1955.091 where: short stacking energy: -850.562 Base-Backbone interact. energy: -1.802 local terms energy: -887.350330 where: bonds (distance) C4'-P energy: -169.475 bonds (distance) P-C4' energy: -158.897 flat angles C4'-P-C4' energy: -197.219 flat angles P-C4'-P energy: -133.286 tors. eta vs tors. theta energy: -228.474 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: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2714.692644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.692644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.692644 (E_RNA) where: Base-Base interactions energy: -1871.320 where: short stacking energy: -806.789 Base-Backbone interact. energy: -1.270 local terms energy: -842.101894 where: bonds (distance) C4'-P energy: -169.962 bonds (distance) P-C4' energy: -160.840 flat angles C4'-P-C4' energy: -162.990 flat angles P-C4'-P energy: -112.682 tors. eta vs tors. theta energy: -235.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2574.636991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.636991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.636991 (E_RNA) where: Base-Base interactions energy: -1745.675 where: short stacking energy: -746.189 Base-Backbone interact. energy: -3.899 local terms energy: -825.062729 where: bonds (distance) C4'-P energy: -162.941 bonds (distance) P-C4' energy: -161.165 flat angles C4'-P-C4' energy: -176.238 flat angles P-C4'-P energy: -116.118 tors. eta vs tors. theta energy: -208.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2417.613718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.613718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.613718 (E_RNA) where: Base-Base interactions energy: -1639.983 where: short stacking energy: -732.281 Base-Backbone interact. energy: -0.327 local terms energy: -777.303022 where: bonds (distance) C4'-P energy: -141.482 bonds (distance) P-C4' energy: -147.491 flat angles C4'-P-C4' energy: -173.905 flat angles P-C4'-P energy: -116.063 tors. eta vs tors. theta energy: -198.362 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: 5, replica: 8 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2194.593499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.593499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.593499 (E_RNA) where: Base-Base interactions energy: -1488.971 where: short stacking energy: -610.960 Base-Backbone interact. energy: -0.207 local terms energy: -705.415439 where: bonds (distance) C4'-P energy: -125.689 bonds (distance) P-C4' energy: -147.456 flat angles C4'-P-C4' energy: -160.006 flat angles P-C4'-P energy: -101.870 tors. eta vs tors. theta energy: -170.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1984.895574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.895574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.895574 (E_RNA) where: Base-Base interactions energy: -1303.044 where: short stacking energy: -583.601 Base-Backbone interact. energy: -0.473 local terms energy: -681.378348 where: bonds (distance) C4'-P energy: -130.680 bonds (distance) P-C4' energy: -144.122 flat angles C4'-P-C4' energy: -153.357 flat angles P-C4'-P energy: -115.746 tors. eta vs tors. theta energy: -137.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1756.166936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.166936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.166936 (E_RNA) where: Base-Base interactions energy: -1145.846 where: short stacking energy: -485.536 Base-Backbone interact. energy: -2.907 local terms energy: -607.414124 where: bonds (distance) C4'-P energy: -141.302 bonds (distance) P-C4' energy: -128.072 flat angles C4'-P-C4' energy: -140.975 flat angles P-C4'-P energy: -81.461 tors. eta vs tors. theta energy: -115.604 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: 4 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1537.261068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.261068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.261068 (E_RNA) where: Base-Base interactions energy: -924.628 where: short stacking energy: -429.951 Base-Backbone interact. energy: -3.027 local terms energy: -609.606367 where: bonds (distance) C4'-P energy: -140.042 bonds (distance) P-C4' energy: -142.805 flat angles C4'-P-C4' energy: -129.825 flat angles P-C4'-P energy: -99.912 tors. eta vs tors. theta energy: -97.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -949.548705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.548705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.548705 (E_RNA) where: Base-Base interactions energy: -507.098 where: short stacking energy: -287.189 Base-Backbone interact. energy: 8.940 local terms energy: -451.390291 where: bonds (distance) C4'-P energy: -137.004 bonds (distance) P-C4' energy: -142.974 flat angles C4'-P-C4' energy: -88.355 flat angles P-C4'-P energy: -76.253 tors. eta vs tors. theta energy: -6.804 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: 10, replica: 6 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -692.467580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.467580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.467580 (E_RNA) where: Base-Base interactions energy: -283.347 where: short stacking energy: -203.791 Base-Backbone interact. energy: -2.615 local terms energy: -406.506285 where: bonds (distance) C4'-P energy: -125.010 bonds (distance) P-C4' energy: -142.118 flat angles C4'-P-C4' energy: -93.900 flat angles P-C4'-P energy: -77.336 tors. eta vs tors. theta energy: 31.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2803.499928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.499928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.499928 (E_RNA) where: Base-Base interactions energy: -1911.349 where: short stacking energy: -838.048 Base-Backbone interact. energy: -5.653 local terms energy: -886.497338 where: bonds (distance) C4'-P energy: -173.033 bonds (distance) P-C4' energy: -174.211 flat angles C4'-P-C4' energy: -191.778 flat angles P-C4'-P energy: -108.037 tors. eta vs tors. theta energy: -239.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2620.243031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.243031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.243031 (E_RNA) where: Base-Base interactions energy: -1806.952 where: short stacking energy: -759.518 Base-Backbone interact. energy: -2.731 local terms energy: -810.560092 where: bonds (distance) C4'-P energy: -173.395 bonds (distance) P-C4' energy: -152.308 flat angles C4'-P-C4' energy: -180.525 flat angles P-C4'-P energy: -99.377 tors. eta vs tors. theta energy: -204.954 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: 3 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2542.898602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.898602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.898602 (E_RNA) where: Base-Base interactions energy: -1733.701 where: short stacking energy: -708.453 Base-Backbone interact. energy: -3.483 local terms energy: -805.714551 where: bonds (distance) C4'-P energy: -159.189 bonds (distance) P-C4' energy: -138.945 flat angles C4'-P-C4' energy: -176.297 flat angles P-C4'-P energy: -127.124 tors. eta vs tors. theta energy: -204.160 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: 4, replica: 10 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2385.324329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.324329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.324329 (E_RNA) where: Base-Base interactions energy: -1608.210 where: short stacking energy: -713.788 Base-Backbone interact. energy: 0.698 local terms energy: -777.812017 where: bonds (distance) C4'-P energy: -131.803 bonds (distance) P-C4' energy: -155.663 flat angles C4'-P-C4' energy: -166.869 flat angles P-C4'-P energy: -115.305 tors. eta vs tors. theta energy: -208.173 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: 8 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2262.321940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.321940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.321940 (E_RNA) where: Base-Base interactions energy: -1535.967 where: short stacking energy: -648.503 Base-Backbone interact. energy: -2.319 local terms energy: -724.035619 where: bonds (distance) C4'-P energy: -155.155 bonds (distance) P-C4' energy: -135.844 flat angles C4'-P-C4' energy: -155.202 flat angles P-C4'-P energy: -101.523 tors. eta vs tors. theta energy: -176.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1976.018666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.018666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.018666 (E_RNA) where: Base-Base interactions energy: -1292.750 where: short stacking energy: -593.594 Base-Backbone interact. energy: -0.935 local terms energy: -682.333153 where: bonds (distance) C4'-P energy: -128.106 bonds (distance) P-C4' energy: -140.632 flat angles C4'-P-C4' energy: -151.435 flat angles P-C4'-P energy: -109.011 tors. eta vs tors. theta energy: -153.148 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: 2 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1722.601073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.601073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.601073 (E_RNA) where: Base-Base interactions energy: -1102.035 where: short stacking energy: -487.246 Base-Backbone interact. energy: -1.802 local terms energy: -618.763900 where: bonds (distance) C4'-P energy: -126.204 bonds (distance) P-C4' energy: -144.350 flat angles C4'-P-C4' energy: -132.204 flat angles P-C4'-P energy: -107.920 tors. eta vs tors. theta energy: -108.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1459.851263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.851263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.851263 (E_RNA) where: Base-Base interactions energy: -897.037 where: short stacking energy: -387.873 Base-Backbone interact. energy: 3.875 local terms energy: -566.689224 where: bonds (distance) C4'-P energy: -120.897 bonds (distance) P-C4' energy: -151.099 flat angles C4'-P-C4' energy: -145.821 flat angles P-C4'-P energy: -78.413 tors. eta vs tors. theta energy: -70.461 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: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -992.485676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.485676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.485676 (E_RNA) where: Base-Base interactions energy: -514.630 where: short stacking energy: -277.044 Base-Backbone interact. energy: -3.735 local terms energy: -474.121592 where: bonds (distance) C4'-P energy: -108.660 bonds (distance) P-C4' energy: -156.690 flat angles C4'-P-C4' energy: -137.760 flat angles P-C4'-P energy: -58.118 tors. eta vs tors. theta energy: -12.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -688.028876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.028876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.028876 (E_RNA) where: Base-Base interactions energy: -281.602 where: short stacking energy: -169.853 Base-Backbone interact. energy: -2.946 local terms energy: -403.480816 where: bonds (distance) C4'-P energy: -128.787 bonds (distance) P-C4' energy: -135.741 flat angles C4'-P-C4' energy: -111.161 flat angles P-C4'-P energy: -67.241 tors. eta vs tors. theta energy: 39.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2842.155618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.155618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.155618 (E_RNA) where: Base-Base interactions energy: -1946.272 where: short stacking energy: -835.269 Base-Backbone interact. energy: 3.396 local terms energy: -899.278786 where: bonds (distance) C4'-P energy: -177.870 bonds (distance) P-C4' energy: -164.319 flat angles C4'-P-C4' energy: -191.108 flat angles P-C4'-P energy: -118.792 tors. eta vs tors. theta energy: -247.190 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: 7 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2680.208365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.208365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.208365 (E_RNA) where: Base-Base interactions energy: -1807.896 where: short stacking energy: -766.300 Base-Backbone interact. energy: -3.757 local terms energy: -868.555261 where: bonds (distance) C4'-P energy: -166.297 bonds (distance) P-C4' energy: -173.260 flat angles C4'-P-C4' energy: -182.825 flat angles P-C4'-P energy: -122.779 tors. eta vs tors. theta energy: -223.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2550.622342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.622342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.622342 (E_RNA) where: Base-Base interactions energy: -1704.690 where: short stacking energy: -705.388 Base-Backbone interact. energy: 1.017 local terms energy: -846.949408 where: bonds (distance) C4'-P energy: -157.153 bonds (distance) P-C4' energy: -158.421 flat angles C4'-P-C4' energy: -179.651 flat angles P-C4'-P energy: -137.559 tors. eta vs tors. theta energy: -214.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2426.914035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.914035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.914035 (E_RNA) where: Base-Base interactions energy: -1609.419 where: short stacking energy: -699.848 Base-Backbone interact. energy: -2.941 local terms energy: -814.554084 where: bonds (distance) C4'-P energy: -165.794 bonds (distance) P-C4' energy: -168.486 flat angles C4'-P-C4' energy: -171.567 flat angles P-C4'-P energy: -111.204 tors. eta vs tors. theta energy: -197.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2252.964219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.964219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.964219 (E_RNA) where: Base-Base interactions energy: -1523.578 where: short stacking energy: -647.472 Base-Backbone interact. energy: 3.432 local terms energy: -732.818128 where: bonds (distance) C4'-P energy: -147.873 bonds (distance) P-C4' energy: -146.891 flat angles C4'-P-C4' energy: -158.244 flat angles P-C4'-P energy: -107.761 tors. eta vs tors. theta energy: -172.050 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: 5 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1990.901125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.901125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.901125 (E_RNA) where: Base-Base interactions energy: -1316.367 where: short stacking energy: -585.107 Base-Backbone interact. energy: 0.983 local terms energy: -675.517713 where: bonds (distance) C4'-P energy: -120.951 bonds (distance) P-C4' energy: -155.271 flat angles C4'-P-C4' energy: -162.939 flat angles P-C4'-P energy: -90.952 tors. eta vs tors. theta energy: -145.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1784.355137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.355137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.355137 (E_RNA) where: Base-Base interactions energy: -1151.371 where: short stacking energy: -459.675 Base-Backbone interact. energy: -3.051 local terms energy: -629.933579 where: bonds (distance) C4'-P energy: -137.596 bonds (distance) P-C4' energy: -130.496 flat angles C4'-P-C4' energy: -146.233 flat angles P-C4'-P energy: -105.993 tors. eta vs tors. theta energy: -109.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1467.197466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.197466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.197466 (E_RNA) where: Base-Base interactions energy: -932.244 where: short stacking energy: -452.922 Base-Backbone interact. energy: 10.493 local terms energy: -545.446817 where: bonds (distance) C4'-P energy: -141.784 bonds (distance) P-C4' energy: -108.544 flat angles C4'-P-C4' energy: -123.051 flat angles P-C4'-P energy: -87.362 tors. eta vs tors. theta energy: -84.706 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: 9, replica: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1009.497833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.497833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.497833 (E_RNA) where: Base-Base interactions energy: -520.692 where: short stacking energy: -285.139 Base-Backbone interact. energy: 0.732 local terms energy: -489.537614 where: bonds (distance) C4'-P energy: -137.043 bonds (distance) P-C4' energy: -140.765 flat angles C4'-P-C4' energy: -119.130 flat angles P-C4'-P energy: -70.208 tors. eta vs tors. theta energy: -22.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -677.531124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.531124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.531124 (E_RNA) where: Base-Base interactions energy: -264.885 where: short stacking energy: -177.842 Base-Backbone interact. energy: -0.089 local terms energy: -412.557505 where: bonds (distance) C4'-P energy: -105.034 bonds (distance) P-C4' energy: -142.828 flat angles C4'-P-C4' energy: -138.296 flat angles P-C4'-P energy: -60.185 tors. eta vs tors. theta energy: 33.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2824.755205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.755205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.755205 (E_RNA) where: Base-Base interactions energy: -1926.199 where: short stacking energy: -858.317 Base-Backbone interact. energy: 3.082 local terms energy: -901.638632 where: bonds (distance) C4'-P energy: -166.982 bonds (distance) P-C4' energy: -170.987 flat angles C4'-P-C4' energy: -186.007 flat angles P-C4'-P energy: -131.408 tors. eta vs tors. theta energy: -246.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2675.261871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.261871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.261871 (E_RNA) where: Base-Base interactions energy: -1829.831 where: short stacking energy: -788.621 Base-Backbone interact. energy: -4.649 local terms energy: -840.781197 where: bonds (distance) C4'-P energy: -156.223 bonds (distance) P-C4' energy: -158.275 flat angles C4'-P-C4' energy: -177.452 flat angles P-C4'-P energy: -123.246 tors. eta vs tors. theta energy: -225.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2526.917653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.917653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.917653 (E_RNA) where: Base-Base interactions energy: -1744.000 where: short stacking energy: -734.350 Base-Backbone interact. energy: -4.158 local terms energy: -778.758943 where: bonds (distance) C4'-P energy: -156.288 bonds (distance) P-C4' energy: -141.668 flat angles C4'-P-C4' energy: -164.616 flat angles P-C4'-P energy: -110.906 tors. eta vs tors. theta energy: -205.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2439.445302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.445302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.445302 (E_RNA) where: Base-Base interactions energy: -1646.991 where: short stacking energy: -697.760 Base-Backbone interact. energy: 0.100 local terms energy: -792.554132 where: bonds (distance) C4'-P energy: -153.914 bonds (distance) P-C4' energy: -164.235 flat angles C4'-P-C4' energy: -159.051 flat angles P-C4'-P energy: -107.568 tors. eta vs tors. theta energy: -207.786 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: 8 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2203.492681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.492681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.492681 (E_RNA) where: Base-Base interactions energy: -1447.536 where: short stacking energy: -620.044 Base-Backbone interact. energy: -3.238 local terms energy: -752.717844 where: bonds (distance) C4'-P energy: -163.318 bonds (distance) P-C4' energy: -168.438 flat angles C4'-P-C4' energy: -150.349 flat angles P-C4'-P energy: -112.516 tors. eta vs tors. theta energy: -158.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1990.412395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.412395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.412395 (E_RNA) where: Base-Base interactions energy: -1298.909 where: short stacking energy: -579.326 Base-Backbone interact. energy: 4.913 local terms energy: -696.416113 where: bonds (distance) C4'-P energy: -142.642 bonds (distance) P-C4' energy: -137.905 flat angles C4'-P-C4' energy: -161.086 flat angles P-C4'-P energy: -101.075 tors. eta vs tors. theta energy: -153.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1826.669302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.669302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.669302 (E_RNA) where: Base-Base interactions energy: -1200.841 where: short stacking energy: -514.008 Base-Backbone interact. energy: -0.172 local terms energy: -625.656210 where: bonds (distance) C4'-P energy: -121.349 bonds (distance) P-C4' energy: -148.901 flat angles C4'-P-C4' energy: -153.410 flat angles P-C4'-P energy: -81.279 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: 4 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1512.538706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.538706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.538706 (E_RNA) where: Base-Base interactions energy: -929.813 where: short stacking energy: -426.463 Base-Backbone interact. energy: -3.338 local terms energy: -579.387893 where: bonds (distance) C4'-P energy: -148.945 bonds (distance) P-C4' energy: -144.366 flat angles C4'-P-C4' energy: -134.996 flat angles P-C4'-P energy: -70.071 tors. eta vs tors. theta energy: -81.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -978.434430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.434430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.434430 (E_RNA) where: Base-Base interactions energy: -503.164 where: short stacking energy: -271.543 Base-Backbone interact. energy: -5.900 local terms energy: -469.370849 where: bonds (distance) C4'-P energy: -122.760 bonds (distance) P-C4' energy: -133.778 flat angles C4'-P-C4' energy: -126.107 flat angles P-C4'-P energy: -76.759 tors. eta vs tors. theta energy: -9.967 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: 6 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -750.601587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.601587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.601587 (E_RNA) where: Base-Base interactions energy: -319.636 where: short stacking energy: -184.950 Base-Backbone interact. energy: -0.144 local terms energy: -430.822247 where: bonds (distance) C4'-P energy: -153.556 bonds (distance) P-C4' energy: -114.855 flat angles C4'-P-C4' energy: -112.150 flat angles P-C4'-P energy: -78.028 tors. eta vs tors. theta energy: 27.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2853.091434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.091434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.091434 (E_RNA) where: Base-Base interactions energy: -1981.064 where: short stacking energy: -862.308 Base-Backbone interact. energy: 8.871 local terms energy: -880.898393 where: bonds (distance) C4'-P energy: -148.152 bonds (distance) P-C4' energy: -169.101 flat angles C4'-P-C4' energy: -196.641 flat angles P-C4'-P energy: -116.817 tors. eta vs tors. theta energy: -250.187 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: 204 Temperature: 0.950000 Total energy: -2671.919141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.919141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.919141 (E_RNA) where: Base-Base interactions energy: -1807.449 where: short stacking energy: -786.954 Base-Backbone interact. energy: -5.817 local terms energy: -858.652521 where: bonds (distance) C4'-P energy: -140.143 bonds (distance) P-C4' energy: -167.732 flat angles C4'-P-C4' energy: -185.736 flat angles P-C4'-P energy: -117.414 tors. eta vs tors. theta energy: -247.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2524.999154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.999154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.999154 (E_RNA) where: Base-Base interactions energy: -1749.287 where: short stacking energy: -746.506 Base-Backbone interact. energy: -3.007 local terms energy: -772.705246 where: bonds (distance) C4'-P energy: -140.532 bonds (distance) P-C4' energy: -144.563 flat angles C4'-P-C4' energy: -170.493 flat angles P-C4'-P energy: -90.668 tors. eta vs tors. theta energy: -226.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2465.343207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.343207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.343207 (E_RNA) where: Base-Base interactions energy: -1676.646 where: short stacking energy: -709.855 Base-Backbone interact. energy: -1.507 local terms energy: -787.190153 where: bonds (distance) C4'-P energy: -139.899 bonds (distance) P-C4' energy: -155.484 flat angles C4'-P-C4' energy: -172.378 flat angles P-C4'-P energy: -112.801 tors. eta vs tors. theta energy: -206.627 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: 8 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2235.102227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.102227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.102227 (E_RNA) where: Base-Base interactions energy: -1461.222 where: short stacking energy: -625.118 Base-Backbone interact. energy: 0.466 local terms energy: -774.345709 where: bonds (distance) C4'-P energy: -146.235 bonds (distance) P-C4' energy: -152.497 flat angles C4'-P-C4' energy: -178.441 flat angles P-C4'-P energy: -116.571 tors. eta vs tors. theta energy: -180.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2000.552161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.552161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.552161 (E_RNA) where: Base-Base interactions energy: -1334.886 where: short stacking energy: -589.842 Base-Backbone interact. energy: 3.529 local terms energy: -669.194686 where: bonds (distance) C4'-P energy: -139.868 bonds (distance) P-C4' energy: -149.720 flat angles C4'-P-C4' energy: -149.605 flat angles P-C4'-P energy: -82.758 tors. eta vs tors. theta energy: -147.244 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: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1868.568311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.568311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.568311 (E_RNA) where: Base-Base interactions energy: -1190.129 where: short stacking energy: -543.137 Base-Backbone interact. energy: -2.987 local terms energy: -675.451782 where: bonds (distance) C4'-P energy: -142.446 bonds (distance) P-C4' energy: -172.962 flat angles C4'-P-C4' energy: -158.263 flat angles P-C4'-P energy: -69.763 tors. eta vs tors. theta energy: -132.018 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: 204 Temperature: 1.250000 Total energy: -1401.769294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.769294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.769294 (E_RNA) where: Base-Base interactions energy: -868.540 where: short stacking energy: -408.190 Base-Backbone interact. energy: 1.138 local terms energy: -534.367492 where: bonds (distance) C4'-P energy: -133.478 bonds (distance) P-C4' energy: -126.280 flat angles C4'-P-C4' energy: -122.406 flat angles P-C4'-P energy: -84.728 tors. eta vs tors. theta energy: -67.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1023.585658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.585658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.585658 (E_RNA) where: Base-Base interactions energy: -548.139 where: short stacking energy: -293.784 Base-Backbone interact. energy: -1.671 local terms energy: -473.776028 where: bonds (distance) C4'-P energy: -122.758 bonds (distance) P-C4' energy: -138.443 flat angles C4'-P-C4' energy: -131.048 flat angles P-C4'-P energy: -61.323 tors. eta vs tors. theta energy: -20.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -699.497954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.497954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.497954 (E_RNA) where: Base-Base interactions energy: -315.069 where: short stacking energy: -209.322 Base-Backbone interact. energy: 5.725 local terms energy: -390.153597 where: bonds (distance) C4'-P energy: -142.785 bonds (distance) P-C4' energy: -101.789 flat angles C4'-P-C4' energy: -104.710 flat angles P-C4'-P energy: -68.082 tors. eta vs tors. theta energy: 27.212 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: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2804.762050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.762050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.762050 (E_RNA) where: Base-Base interactions energy: -1932.230 where: short stacking energy: -816.172 Base-Backbone interact. energy: 1.254 local terms energy: -873.786098 where: bonds (distance) C4'-P energy: -148.047 bonds (distance) P-C4' energy: -167.058 flat angles C4'-P-C4' energy: -185.222 flat angles P-C4'-P energy: -130.367 tors. eta vs tors. theta energy: -243.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2679.761242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.761242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.761242 (E_RNA) where: Base-Base interactions energy: -1807.954 where: short stacking energy: -813.059 Base-Backbone interact. energy: -7.178 local terms energy: -864.628684 where: bonds (distance) C4'-P energy: -154.173 bonds (distance) P-C4' energy: -148.885 flat angles C4'-P-C4' energy: -198.749 flat angles P-C4'-P energy: -121.160 tors. eta vs tors. theta energy: -241.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2526.601178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.601178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.601178 (E_RNA) where: Base-Base interactions energy: -1716.758 where: short stacking energy: -751.186 Base-Backbone interact. energy: -1.518 local terms energy: -808.325309 where: bonds (distance) C4'-P energy: -157.152 bonds (distance) P-C4' energy: -155.828 flat angles C4'-P-C4' energy: -170.067 flat angles P-C4'-P energy: -100.936 tors. eta vs tors. theta energy: -224.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2422.862983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.862983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.862983 (E_RNA) where: Base-Base interactions energy: -1631.063 where: short stacking energy: -724.999 Base-Backbone interact. energy: -3.677 local terms energy: -788.123299 where: bonds (distance) C4'-P energy: -143.841 bonds (distance) P-C4' energy: -155.749 flat angles C4'-P-C4' energy: -171.181 flat angles P-C4'-P energy: -103.985 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: 5, replica: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2217.526294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.526294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.526294 (E_RNA) where: Base-Base interactions energy: -1478.146 where: short stacking energy: -617.187 Base-Backbone interact. energy: -2.058 local terms energy: -737.322136 where: bonds (distance) C4'-P energy: -150.100 bonds (distance) P-C4' energy: -152.396 flat angles C4'-P-C4' energy: -158.330 flat angles P-C4'-P energy: -118.163 tors. eta vs tors. theta energy: -158.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1986.418033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.418033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.418033 (E_RNA) where: Base-Base interactions energy: -1320.845 where: short stacking energy: -606.005 Base-Backbone interact. energy: -1.213 local terms energy: -664.360468 where: bonds (distance) C4'-P energy: -139.020 bonds (distance) P-C4' energy: -154.654 flat angles C4'-P-C4' energy: -144.448 flat angles P-C4'-P energy: -97.945 tors. eta vs tors. theta energy: -128.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1731.015796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.015796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.015796 (E_RNA) where: Base-Base interactions energy: -1133.834 where: short stacking energy: -503.949 Base-Backbone interact. energy: 0.522 local terms energy: -597.703903 where: bonds (distance) C4'-P energy: -124.850 bonds (distance) P-C4' energy: -138.001 flat angles C4'-P-C4' energy: -139.115 flat angles P-C4'-P energy: -91.704 tors. eta vs tors. theta energy: -104.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1466.623233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.623233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.623233 (E_RNA) where: Base-Base interactions energy: -886.277 where: short stacking energy: -417.329 Base-Backbone interact. energy: 1.099 local terms energy: -581.445599 where: bonds (distance) C4'-P energy: -121.381 bonds (distance) P-C4' energy: -140.249 flat angles C4'-P-C4' energy: -150.773 flat angles P-C4'-P energy: -85.593 tors. eta vs tors. theta energy: -83.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -968.085070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.085070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.085070 (E_RNA) where: Base-Base interactions energy: -485.947 where: short stacking energy: -272.911 Base-Backbone interact. energy: 2.019 local terms energy: -484.156551 where: bonds (distance) C4'-P energy: -119.922 bonds (distance) P-C4' energy: -150.126 flat angles C4'-P-C4' energy: -124.565 flat angles P-C4'-P energy: -81.940 tors. eta vs tors. theta energy: -7.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -706.572210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.572210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.572210 (E_RNA) where: Base-Base interactions energy: -322.718 where: short stacking energy: -211.622 Base-Backbone interact. energy: 0.599 local terms energy: -384.454063 where: bonds (distance) C4'-P energy: -128.476 bonds (distance) P-C4' energy: -137.644 flat angles C4'-P-C4' energy: -95.448 flat angles P-C4'-P energy: -59.787 tors. eta vs tors. theta energy: 36.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2827.051397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.051397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.051397 (E_RNA) where: Base-Base interactions energy: -1966.241 where: short stacking energy: -861.186 Base-Backbone interact. energy: 0.766 local terms energy: -861.576266 where: bonds (distance) C4'-P energy: -158.332 bonds (distance) P-C4' energy: -154.862 flat angles C4'-P-C4' energy: -185.102 flat angles P-C4'-P energy: -121.857 tors. eta vs tors. theta energy: -241.424 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: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2643.294853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.294853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.294853 (E_RNA) where: Base-Base interactions energy: -1774.597 where: short stacking energy: -804.771 Base-Backbone interact. energy: -2.962 local terms energy: -865.735923 where: bonds (distance) C4'-P energy: -146.052 bonds (distance) P-C4' energy: -164.209 flat angles C4'-P-C4' energy: -191.885 flat angles P-C4'-P energy: -131.543 tors. eta vs tors. theta energy: -232.048 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: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2566.364130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.364130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.364130 (E_RNA) where: Base-Base interactions energy: -1728.246 where: short stacking energy: -735.116 Base-Backbone interact. energy: -3.443 local terms energy: -834.674750 where: bonds (distance) C4'-P energy: -152.529 bonds (distance) P-C4' energy: -174.483 flat angles C4'-P-C4' energy: -172.800 flat angles P-C4'-P energy: -124.313 tors. eta vs tors. theta energy: -210.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2482.753304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.753304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.753304 (E_RNA) where: Base-Base interactions energy: -1663.508 where: short stacking energy: -713.166 Base-Backbone interact. energy: 3.072 local terms energy: -822.317210 where: bonds (distance) C4'-P energy: -144.928 bonds (distance) P-C4' energy: -169.749 flat angles C4'-P-C4' energy: -169.844 flat angles P-C4'-P energy: -124.364 tors. eta vs tors. theta energy: -213.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2232.783306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.783306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.783306 (E_RNA) where: Base-Base interactions energy: -1447.708 where: short stacking energy: -678.552 Base-Backbone interact. energy: -4.345 local terms energy: -780.730526 where: bonds (distance) C4'-P energy: -144.088 bonds (distance) P-C4' energy: -155.503 flat angles C4'-P-C4' energy: -169.573 flat angles P-C4'-P energy: -120.066 tors. eta vs tors. theta energy: -191.501 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: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1995.261165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.261165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.261165 (E_RNA) where: Base-Base interactions energy: -1275.383 where: short stacking energy: -590.178 Base-Backbone interact. energy: -3.446 local terms energy: -716.432167 where: bonds (distance) C4'-P energy: -143.001 bonds (distance) P-C4' energy: -151.528 flat angles C4'-P-C4' energy: -164.415 flat angles P-C4'-P energy: -114.790 tors. eta vs tors. theta energy: -142.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1705.147095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.147095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.147095 (E_RNA) where: Base-Base interactions energy: -1102.099 where: short stacking energy: -480.046 Base-Backbone interact. energy: -1.439 local terms energy: -601.609693 where: bonds (distance) C4'-P energy: -108.097 bonds (distance) P-C4' energy: -160.143 flat angles C4'-P-C4' energy: -158.665 flat angles P-C4'-P energy: -89.679 tors. eta vs tors. theta energy: -85.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1451.845913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.845913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.845913 (E_RNA) where: Base-Base interactions energy: -898.578 where: short stacking energy: -408.834 Base-Backbone interact. energy: 2.377 local terms energy: -555.644655 where: bonds (distance) C4'-P energy: -134.191 bonds (distance) P-C4' energy: -133.646 flat angles C4'-P-C4' energy: -120.711 flat angles P-C4'-P energy: -90.951 tors. eta vs tors. theta energy: -76.146 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: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -976.495981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.495981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.495981 (E_RNA) where: Base-Base interactions energy: -472.941 where: short stacking energy: -244.039 Base-Backbone interact. energy: -2.349 local terms energy: -501.206109 where: bonds (distance) C4'-P energy: -150.131 bonds (distance) P-C4' energy: -153.016 flat angles C4'-P-C4' energy: -125.911 flat angles P-C4'-P energy: -74.708 tors. eta vs tors. theta energy: 2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -732.061675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.061675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.061675 (E_RNA) where: Base-Base interactions energy: -307.166 where: short stacking energy: -224.668 Base-Backbone interact. energy: 4.835 local terms energy: -429.730446 where: bonds (distance) C4'-P energy: -130.893 bonds (distance) P-C4' energy: -138.142 flat angles C4'-P-C4' energy: -110.301 flat angles P-C4'-P energy: -72.391 tors. eta vs tors. theta energy: 21.996 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: 1, replica: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2818.216329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.216329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.216329 (E_RNA) where: Base-Base interactions energy: -1902.574 where: short stacking energy: -828.575 Base-Backbone interact. energy: -5.543 local terms energy: -910.100017 where: bonds (distance) C4'-P energy: -176.240 bonds (distance) P-C4' energy: -178.713 flat angles C4'-P-C4' energy: -183.567 flat angles P-C4'-P energy: -125.287 tors. eta vs tors. theta energy: -246.293 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: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2667.345611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.345611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.345611 (E_RNA) where: Base-Base interactions energy: -1847.152 where: short stacking energy: -816.705 Base-Backbone interact. energy: -1.897 local terms energy: -818.296327 where: bonds (distance) C4'-P energy: -139.655 bonds (distance) P-C4' energy: -163.875 flat angles C4'-P-C4' energy: -170.962 flat angles P-C4'-P energy: -118.131 tors. eta vs tors. theta energy: -225.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2561.954706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.954706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.954706 (E_RNA) where: Base-Base interactions energy: -1756.181 where: short stacking energy: -766.230 Base-Backbone interact. energy: 0.908 local terms energy: -806.681470 where: bonds (distance) C4'-P energy: -138.121 bonds (distance) P-C4' energy: -167.426 flat angles C4'-P-C4' energy: -177.084 flat angles P-C4'-P energy: -112.734 tors. eta vs tors. theta energy: -211.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2446.918914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.918914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.918914 (E_RNA) where: Base-Base interactions energy: -1632.512 where: short stacking energy: -716.058 Base-Backbone interact. energy: -1.825 local terms energy: -812.581928 where: bonds (distance) C4'-P energy: -153.640 bonds (distance) P-C4' energy: -178.168 flat angles C4'-P-C4' energy: -152.209 flat angles P-C4'-P energy: -111.621 tors. eta vs tors. theta energy: -216.944 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: 8 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2209.747820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.747820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.747820 (E_RNA) where: Base-Base interactions energy: -1467.323 where: short stacking energy: -639.645 Base-Backbone interact. energy: 0.895 local terms energy: -743.320146 where: bonds (distance) C4'-P energy: -141.729 bonds (distance) P-C4' energy: -158.975 flat angles C4'-P-C4' energy: -170.181 flat angles P-C4'-P energy: -106.888 tors. eta vs tors. theta energy: -165.548 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: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1880.032276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.032276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.032276 (E_RNA) where: Base-Base interactions energy: -1236.500 where: short stacking energy: -536.457 Base-Backbone interact. energy: 0.588 local terms energy: -644.120294 where: bonds (distance) C4'-P energy: -125.246 bonds (distance) P-C4' energy: -154.401 flat angles C4'-P-C4' energy: -160.872 flat angles P-C4'-P energy: -79.756 tors. eta vs tors. theta energy: -123.845 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: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1821.967645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.967645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.967645 (E_RNA) where: Base-Base interactions energy: -1204.351 where: short stacking energy: -534.467 Base-Backbone interact. energy: 0.047 local terms energy: -617.663484 where: bonds (distance) C4'-P energy: -118.664 bonds (distance) P-C4' energy: -167.499 flat angles C4'-P-C4' energy: -137.980 flat angles P-C4'-P energy: -76.145 tors. eta vs tors. theta energy: -117.375 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: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1483.437282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.437282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.437282 (E_RNA) where: Base-Base interactions energy: -930.036 where: short stacking energy: -411.775 Base-Backbone interact. energy: -0.821 local terms energy: -552.580772 where: bonds (distance) C4'-P energy: -99.817 bonds (distance) P-C4' energy: -146.103 flat angles C4'-P-C4' energy: -149.793 flat angles P-C4'-P energy: -86.297 tors. eta vs tors. theta energy: -70.571 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: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -978.115497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.115497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.115497 (E_RNA) where: Base-Base interactions energy: -536.056 where: short stacking energy: -284.332 Base-Backbone interact. energy: -1.496 local terms energy: -440.564032 where: bonds (distance) C4'-P energy: -119.161 bonds (distance) P-C4' energy: -135.404 flat angles C4'-P-C4' energy: -119.090 flat angles P-C4'-P energy: -57.295 tors. eta vs tors. theta energy: -9.615 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: 6 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -703.278182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.278182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.278182 (E_RNA) where: Base-Base interactions energy: -295.885 where: short stacking energy: -220.674 Base-Backbone interact. energy: 14.415 local terms energy: -421.808918 where: bonds (distance) C4'-P energy: -106.952 bonds (distance) P-C4' energy: -153.562 flat angles C4'-P-C4' energy: -116.360 flat angles P-C4'-P energy: -57.364 tors. eta vs tors. theta energy: 12.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2820.289958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.289958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.289958 (E_RNA) where: Base-Base interactions energy: -1931.517 where: short stacking energy: -824.913 Base-Backbone interact. energy: -4.965 local terms energy: -883.808078 where: bonds (distance) C4'-P energy: -159.319 bonds (distance) P-C4' energy: -167.074 flat angles C4'-P-C4' energy: -196.614 flat angles P-C4'-P energy: -122.284 tors. eta vs tors. theta energy: -238.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2707.201700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.201700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.201700 (E_RNA) where: Base-Base interactions energy: -1871.704 where: short stacking energy: -791.779 Base-Backbone interact. energy: 0.983 local terms energy: -836.480348 where: bonds (distance) C4'-P energy: -146.146 bonds (distance) P-C4' energy: -158.969 flat angles C4'-P-C4' energy: -175.655 flat angles P-C4'-P energy: -135.533 tors. eta vs tors. theta energy: -220.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2563.136149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.136149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.136149 (E_RNA) where: Base-Base interactions energy: -1738.348 where: short stacking energy: -756.813 Base-Backbone interact. energy: -1.911 local terms energy: -822.876936 where: bonds (distance) C4'-P energy: -144.355 bonds (distance) P-C4' energy: -167.050 flat angles C4'-P-C4' energy: -178.313 flat angles P-C4'-P energy: -111.395 tors. eta vs tors. theta energy: -221.762 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: 10 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2462.202091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.202091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.202091 (E_RNA) where: Base-Base interactions energy: -1666.275 where: short stacking energy: -716.559 Base-Backbone interact. energy: 0.090 local terms energy: -796.016758 where: bonds (distance) C4'-P energy: -146.443 bonds (distance) P-C4' energy: -168.471 flat angles C4'-P-C4' energy: -164.458 flat angles P-C4'-P energy: -102.221 tors. eta vs tors. theta energy: -214.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2152.882910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.882910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.882910 (E_RNA) where: Base-Base interactions energy: -1406.375 where: short stacking energy: -627.174 Base-Backbone interact. energy: 0.657 local terms energy: -747.165183 where: bonds (distance) C4'-P energy: -152.772 bonds (distance) P-C4' energy: -149.367 flat angles C4'-P-C4' energy: -169.017 flat angles P-C4'-P energy: -94.107 tors. eta vs tors. theta energy: -181.902 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: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1933.541301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.541301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.541301 (E_RNA) where: Base-Base interactions energy: -1285.122 where: short stacking energy: -589.466 Base-Backbone interact. energy: -0.028 local terms energy: -648.391838 where: bonds (distance) C4'-P energy: -126.744 bonds (distance) P-C4' energy: -150.925 flat angles C4'-P-C4' energy: -153.066 flat angles P-C4'-P energy: -80.263 tors. eta vs tors. theta energy: -137.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1761.576804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.576804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.576804 (E_RNA) where: Base-Base interactions energy: -1157.923 where: short stacking energy: -489.139 Base-Backbone interact. energy: -1.110 local terms energy: -602.543391 where: bonds (distance) C4'-P energy: -131.223 bonds (distance) P-C4' energy: -150.909 flat angles C4'-P-C4' energy: -143.512 flat angles P-C4'-P energy: -82.880 tors. eta vs tors. theta energy: -94.019 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: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1540.395798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.395798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.395798 (E_RNA) where: Base-Base interactions energy: -926.077 where: short stacking energy: -439.015 Base-Backbone interact. energy: -3.040 local terms energy: -611.278903 where: bonds (distance) C4'-P energy: -120.413 bonds (distance) P-C4' energy: -142.230 flat angles C4'-P-C4' energy: -146.654 flat angles P-C4'-P energy: -88.675 tors. eta vs tors. theta energy: -113.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1003.242484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.242484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.242484 (E_RNA) where: Base-Base interactions energy: -506.832 where: short stacking energy: -224.976 Base-Backbone interact. energy: -1.310 local terms energy: -495.100123 where: bonds (distance) C4'-P energy: -134.789 bonds (distance) P-C4' energy: -148.706 flat angles C4'-P-C4' energy: -131.737 flat angles P-C4'-P energy: -71.336 tors. eta vs tors. theta energy: -8.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -683.106493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.106493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.106493 (E_RNA) where: Base-Base interactions energy: -271.531 where: short stacking energy: -186.647 Base-Backbone interact. energy: 0.693 local terms energy: -412.268279 where: bonds (distance) C4'-P energy: -143.191 bonds (distance) P-C4' energy: -135.804 flat angles C4'-P-C4' energy: -95.106 flat angles P-C4'-P energy: -56.628 tors. eta vs tors. theta energy: 18.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2800.534626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.534626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.534626 (E_RNA) where: Base-Base interactions energy: -1913.101 where: short stacking energy: -814.720 Base-Backbone interact. energy: -2.271 local terms energy: -885.163239 where: bonds (distance) C4'-P energy: -171.048 bonds (distance) P-C4' energy: -151.266 flat angles C4'-P-C4' energy: -190.612 flat angles P-C4'-P energy: -131.960 tors. eta vs tors. theta energy: -240.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2694.996194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.996194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.996194 (E_RNA) where: Base-Base interactions energy: -1849.727 where: short stacking energy: -809.527 Base-Backbone interact. energy: -3.282 local terms energy: -841.987703 where: bonds (distance) C4'-P energy: -148.700 bonds (distance) P-C4' energy: -148.546 flat angles C4'-P-C4' energy: -191.629 flat angles P-C4'-P energy: -113.476 tors. eta vs tors. theta energy: -239.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2543.353384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.353384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.353384 (E_RNA) where: Base-Base interactions energy: -1723.832 where: short stacking energy: -754.584 Base-Backbone interact. energy: -5.925 local terms energy: -813.596469 where: bonds (distance) C4'-P energy: -137.488 bonds (distance) P-C4' energy: -162.722 flat angles C4'-P-C4' energy: -178.014 flat angles P-C4'-P energy: -117.149 tors. eta vs tors. theta energy: -218.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2453.021324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.021324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.021324 (E_RNA) where: Base-Base interactions energy: -1679.454 where: short stacking energy: -709.976 Base-Backbone interact. energy: 2.019 local terms energy: -775.585837 where: bonds (distance) C4'-P energy: -131.373 bonds (distance) P-C4' energy: -144.529 flat angles C4'-P-C4' energy: -171.339 flat angles P-C4'-P energy: -110.731 tors. eta vs tors. theta energy: -217.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2175.603656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.603656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.603656 (E_RNA) where: Base-Base interactions energy: -1455.372 where: short stacking energy: -655.610 Base-Backbone interact. energy: -1.287 local terms energy: -718.944616 where: bonds (distance) C4'-P energy: -138.302 bonds (distance) P-C4' energy: -143.265 flat angles C4'-P-C4' energy: -160.146 flat angles P-C4'-P energy: -100.431 tors. eta vs tors. theta energy: -176.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1974.511321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.511321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.511321 (E_RNA) where: Base-Base interactions energy: -1338.248 where: short stacking energy: -598.872 Base-Backbone interact. energy: -0.701 local terms energy: -635.562560 where: bonds (distance) C4'-P energy: -130.303 bonds (distance) P-C4' energy: -125.783 flat angles C4'-P-C4' energy: -157.447 flat angles P-C4'-P energy: -90.070 tors. eta vs tors. theta energy: -131.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1786.380496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.380496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.380496 (E_RNA) where: Base-Base interactions energy: -1180.864 where: short stacking energy: -503.076 Base-Backbone interact. energy: -0.490 local terms energy: -605.027014 where: bonds (distance) C4'-P energy: -145.091 bonds (distance) P-C4' energy: -133.593 flat angles C4'-P-C4' energy: -127.133 flat angles P-C4'-P energy: -83.085 tors. eta vs tors. theta energy: -116.125 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: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1530.029935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.029935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.029935 (E_RNA) where: Base-Base interactions energy: -980.003 where: short stacking energy: -448.850 Base-Backbone interact. energy: 3.194 local terms energy: -553.220785 where: bonds (distance) C4'-P energy: -138.639 bonds (distance) P-C4' energy: -128.078 flat angles C4'-P-C4' energy: -136.067 flat angles P-C4'-P energy: -70.723 tors. eta vs tors. theta energy: -79.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -952.168612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.168612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.168612 (E_RNA) where: Base-Base interactions energy: -479.025 where: short stacking energy: -279.013 Base-Backbone interact. energy: 1.468 local terms energy: -474.611493 where: bonds (distance) C4'-P energy: -146.122 bonds (distance) P-C4' energy: -142.659 flat angles C4'-P-C4' energy: -123.586 flat angles P-C4'-P energy: -50.516 tors. eta vs tors. theta energy: -11.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -731.905983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.905983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.905983 (E_RNA) where: Base-Base interactions energy: -298.633 where: short stacking energy: -197.291 Base-Backbone interact. energy: 9.895 local terms energy: -443.168194 where: bonds (distance) C4'-P energy: -138.674 bonds (distance) P-C4' energy: -151.469 flat angles C4'-P-C4' energy: -98.007 flat angles P-C4'-P energy: -70.135 tors. eta vs tors. theta energy: 15.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2812.108815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.108815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.108815 (E_RNA) where: Base-Base interactions energy: -1948.169 where: short stacking energy: -845.359 Base-Backbone interact. energy: -5.458 local terms energy: -858.481610 where: bonds (distance) C4'-P energy: -150.517 bonds (distance) P-C4' energy: -146.515 flat angles C4'-P-C4' energy: -189.586 flat angles P-C4'-P energy: -128.462 tors. eta vs tors. theta energy: -243.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2743.857478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.857478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.857478 (E_RNA) where: Base-Base interactions energy: -1886.395 where: short stacking energy: -790.033 Base-Backbone interact. energy: -2.602 local terms energy: -854.860129 where: bonds (distance) C4'-P energy: -144.115 bonds (distance) P-C4' energy: -160.379 flat angles C4'-P-C4' energy: -187.030 flat angles P-C4'-P energy: -125.779 tors. eta vs tors. theta energy: -237.558 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: 3, replica: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2592.965402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.965402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.965402 (E_RNA) where: Base-Base interactions energy: -1778.135 where: short stacking energy: -785.731 Base-Backbone interact. energy: -5.340 local terms energy: -809.490077 where: bonds (distance) C4'-P energy: -141.692 bonds (distance) P-C4' energy: -148.179 flat angles C4'-P-C4' energy: -176.414 flat angles P-C4'-P energy: -118.931 tors. eta vs tors. theta energy: -224.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2447.135548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.135548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.135548 (E_RNA) where: Base-Base interactions energy: -1654.319 where: short stacking energy: -739.181 Base-Backbone interact. energy: 0.667 local terms energy: -793.483659 where: bonds (distance) C4'-P energy: -137.515 bonds (distance) P-C4' energy: -154.364 flat angles C4'-P-C4' energy: -167.110 flat angles P-C4'-P energy: -122.158 tors. eta vs tors. theta energy: -212.337 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: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2177.872015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.872015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.872015 (E_RNA) where: Base-Base interactions energy: -1457.344 where: short stacking energy: -657.240 Base-Backbone interact. energy: 2.867 local terms energy: -723.395129 where: bonds (distance) C4'-P energy: -143.440 bonds (distance) P-C4' energy: -130.264 flat angles C4'-P-C4' energy: -163.110 flat angles P-C4'-P energy: -112.240 tors. eta vs tors. theta energy: -174.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1946.860748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.860748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.860748 (E_RNA) where: Base-Base interactions energy: -1300.161 where: short stacking energy: -530.638 Base-Backbone interact. energy: -1.615 local terms energy: -645.084688 where: bonds (distance) C4'-P energy: -136.469 bonds (distance) P-C4' energy: -138.281 flat angles C4'-P-C4' energy: -141.814 flat angles P-C4'-P energy: -100.379 tors. eta vs tors. theta energy: -128.142 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: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1783.978817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.978817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.978817 (E_RNA) where: Base-Base interactions energy: -1185.815 where: short stacking energy: -505.942 Base-Backbone interact. energy: 3.381 local terms energy: -601.544639 where: bonds (distance) C4'-P energy: -132.296 bonds (distance) P-C4' energy: -150.092 flat angles C4'-P-C4' energy: -130.238 flat angles P-C4'-P energy: -73.897 tors. eta vs tors. theta energy: -115.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1513.137622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.137622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.137622 (E_RNA) where: Base-Base interactions energy: -936.071 where: short stacking energy: -416.003 Base-Backbone interact. energy: -1.112 local terms energy: -575.954045 where: bonds (distance) C4'-P energy: -157.062 bonds (distance) P-C4' energy: -127.528 flat angles C4'-P-C4' energy: -139.076 flat angles P-C4'-P energy: -73.101 tors. eta vs tors. theta energy: -79.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1028.645302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.645302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.645302 (E_RNA) where: Base-Base interactions energy: -567.362 where: short stacking energy: -314.578 Base-Backbone interact. energy: 5.804 local terms energy: -467.086480 where: bonds (distance) C4'-P energy: -110.247 bonds (distance) P-C4' energy: -126.639 flat angles C4'-P-C4' energy: -137.193 flat angles P-C4'-P energy: -67.632 tors. eta vs tors. theta energy: -25.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -716.472925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.472925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.472925 (E_RNA) where: Base-Base interactions energy: -279.620 where: short stacking energy: -171.596 Base-Backbone interact. energy: 1.016 local terms energy: -437.869308 where: bonds (distance) C4'-P energy: -148.777 bonds (distance) P-C4' energy: -126.784 flat angles C4'-P-C4' energy: -122.248 flat angles P-C4'-P energy: -79.477 tors. eta vs tors. theta energy: 39.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2832.267328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.267328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.267328 (E_RNA) where: Base-Base interactions energy: -1953.527 where: short stacking energy: -867.000 Base-Backbone interact. energy: -1.800 local terms energy: -876.940531 where: bonds (distance) C4'-P energy: -154.318 bonds (distance) P-C4' energy: -154.129 flat angles C4'-P-C4' energy: -184.690 flat angles P-C4'-P energy: -123.990 tors. eta vs tors. theta energy: -259.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2717.722560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.722560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.722560 (E_RNA) where: Base-Base interactions energy: -1869.052 where: short stacking energy: -805.753 Base-Backbone interact. energy: -1.792 local terms energy: -846.878396 where: bonds (distance) C4'-P energy: -151.508 bonds (distance) P-C4' energy: -161.062 flat angles C4'-P-C4' energy: -173.835 flat angles P-C4'-P energy: -123.284 tors. eta vs tors. theta energy: -237.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2606.163050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.163050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.163050 (E_RNA) where: Base-Base interactions energy: -1787.781 where: short stacking energy: -783.686 Base-Backbone interact. energy: 0.649 local terms energy: -819.031236 where: bonds (distance) C4'-P energy: -149.364 bonds (distance) P-C4' energy: -154.128 flat angles C4'-P-C4' energy: -172.700 flat angles P-C4'-P energy: -121.799 tors. eta vs tors. theta energy: -221.041 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: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2370.698131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.698131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.698131 (E_RNA) where: Base-Base interactions energy: -1595.365 where: short stacking energy: -716.426 Base-Backbone interact. energy: -1.631 local terms energy: -773.702824 where: bonds (distance) C4'-P energy: -138.174 bonds (distance) P-C4' energy: -147.674 flat angles C4'-P-C4' energy: -163.993 flat angles P-C4'-P energy: -108.993 tors. eta vs tors. theta energy: -214.869 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: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2111.690022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.690022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.690022 (E_RNA) where: Base-Base interactions energy: -1404.801 where: short stacking energy: -626.693 Base-Backbone interact. energy: -2.229 local terms energy: -704.659763 where: bonds (distance) C4'-P energy: -161.534 bonds (distance) P-C4' energy: -137.665 flat angles C4'-P-C4' energy: -154.216 flat angles P-C4'-P energy: -83.666 tors. eta vs tors. theta energy: -167.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1969.072458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.072458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.072458 (E_RNA) where: Base-Base interactions energy: -1267.331 where: short stacking energy: -566.847 Base-Backbone interact. energy: -3.282 local terms energy: -698.459159 where: bonds (distance) C4'-P energy: -139.034 bonds (distance) P-C4' energy: -163.261 flat angles C4'-P-C4' energy: -154.940 flat angles P-C4'-P energy: -91.525 tors. eta vs tors. theta energy: -149.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1761.469470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.469470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.469470 (E_RNA) where: Base-Base interactions energy: -1086.293 where: short stacking energy: -499.693 Base-Backbone interact. energy: -3.472 local terms energy: -671.705147 where: bonds (distance) C4'-P energy: -159.993 bonds (distance) P-C4' energy: -152.810 flat angles C4'-P-C4' energy: -147.400 flat angles P-C4'-P energy: -100.229 tors. eta vs tors. theta energy: -111.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1508.843931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.843931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.843931 (E_RNA) where: Base-Base interactions energy: -944.938 where: short stacking energy: -451.593 Base-Backbone interact. energy: -0.676 local terms energy: -563.230316 where: bonds (distance) C4'-P energy: -125.179 bonds (distance) P-C4' energy: -147.637 flat angles C4'-P-C4' energy: -122.293 flat angles P-C4'-P energy: -86.259 tors. eta vs tors. theta energy: -81.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1007.740245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.740245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.740245 (E_RNA) where: Base-Base interactions energy: -506.649 where: short stacking energy: -281.676 Base-Backbone interact. energy: 1.971 local terms energy: -503.062310 where: bonds (distance) C4'-P energy: -136.973 bonds (distance) P-C4' energy: -137.995 flat angles C4'-P-C4' energy: -140.242 flat angles P-C4'-P energy: -77.451 tors. eta vs tors. theta energy: -10.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -730.334729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.334729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.334729 (E_RNA) where: Base-Base interactions energy: -311.551 where: short stacking energy: -204.410 Base-Backbone interact. energy: 3.743 local terms energy: -422.526354 where: bonds (distance) C4'-P energy: -141.876 bonds (distance) P-C4' energy: -135.516 flat angles C4'-P-C4' energy: -104.001 flat angles P-C4'-P energy: -62.809 tors. eta vs tors. theta energy: 21.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2808.016615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.016615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.016615 (E_RNA) where: Base-Base interactions energy: -1932.704 where: short stacking energy: -827.294 Base-Backbone interact. energy: -3.572 local terms energy: -871.741456 where: bonds (distance) C4'-P energy: -163.222 bonds (distance) P-C4' energy: -156.435 flat angles C4'-P-C4' energy: -189.228 flat angles P-C4'-P energy: -120.522 tors. eta vs tors. theta energy: -242.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2724.925762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.925762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.925762 (E_RNA) where: Base-Base interactions energy: -1863.797 where: short stacking energy: -795.395 Base-Backbone interact. energy: -5.029 local terms energy: -856.099652 where: bonds (distance) C4'-P energy: -150.408 bonds (distance) P-C4' energy: -175.339 flat angles C4'-P-C4' energy: -181.991 flat angles P-C4'-P energy: -115.881 tors. eta vs tors. theta energy: -232.481 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: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2572.899323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.899323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.899323 (E_RNA) where: Base-Base interactions energy: -1734.467 where: short stacking energy: -756.856 Base-Backbone interact. energy: -2.588 local terms energy: -835.844124 where: bonds (distance) C4'-P energy: -162.652 bonds (distance) P-C4' energy: -168.904 flat angles C4'-P-C4' energy: -184.771 flat angles P-C4'-P energy: -110.711 tors. eta vs tors. theta energy: -208.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2419.610888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.610888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.610888 (E_RNA) where: Base-Base interactions energy: -1630.742 where: short stacking energy: -707.121 Base-Backbone interact. energy: -2.460 local terms energy: -786.408762 where: bonds (distance) C4'-P energy: -157.641 bonds (distance) P-C4' energy: -140.639 flat angles C4'-P-C4' energy: -174.181 flat angles P-C4'-P energy: -103.607 tors. eta vs tors. theta energy: -210.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2113.265072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.265072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.265072 (E_RNA) where: Base-Base interactions energy: -1397.486 where: short stacking energy: -614.961 Base-Backbone interact. energy: 1.211 local terms energy: -716.989767 where: bonds (distance) C4'-P energy: -140.129 bonds (distance) P-C4' energy: -157.523 flat angles C4'-P-C4' energy: -157.823 flat angles P-C4'-P energy: -98.473 tors. eta vs tors. theta energy: -163.042 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: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1910.117530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.117530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.117530 (E_RNA) where: Base-Base interactions energy: -1246.100 where: short stacking energy: -542.962 Base-Backbone interact. energy: -2.613 local terms energy: -661.404953 where: bonds (distance) C4'-P energy: -122.160 bonds (distance) P-C4' energy: -155.060 flat angles C4'-P-C4' energy: -162.948 flat angles P-C4'-P energy: -96.856 tors. eta vs tors. theta energy: -124.381 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: 7, replica: 2 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1715.795580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.795580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.795580 (E_RNA) where: Base-Base interactions energy: -1109.370 where: short stacking energy: -490.422 Base-Backbone interact. energy: -3.668 local terms energy: -602.758121 where: bonds (distance) C4'-P energy: -116.894 bonds (distance) P-C4' energy: -140.289 flat angles C4'-P-C4' energy: -141.427 flat angles P-C4'-P energy: -89.984 tors. eta vs tors. theta energy: -114.164 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: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1512.161550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.161550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.161550 (E_RNA) where: Base-Base interactions energy: -936.713 where: short stacking energy: -444.067 Base-Backbone interact. energy: -2.255 local terms energy: -573.193832 where: bonds (distance) C4'-P energy: -147.351 bonds (distance) P-C4' energy: -138.976 flat angles C4'-P-C4' energy: -139.396 flat angles P-C4'-P energy: -64.920 tors. eta vs tors. theta energy: -82.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -990.217299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.217299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.217299 (E_RNA) where: Base-Base interactions energy: -491.024 where: short stacking energy: -274.848 Base-Backbone interact. energy: 1.077 local terms energy: -500.269994 where: bonds (distance) C4'-P energy: -145.405 bonds (distance) P-C4' energy: -143.493 flat angles C4'-P-C4' energy: -124.277 flat angles P-C4'-P energy: -70.728 tors. eta vs tors. theta energy: -16.366 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: 6 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -740.873190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.873190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.873190 (E_RNA) where: Base-Base interactions energy: -328.855 where: short stacking energy: -187.843 Base-Backbone interact. energy: 6.701 local terms energy: -418.719822 where: bonds (distance) C4'-P energy: -122.844 bonds (distance) P-C4' energy: -116.939 flat angles C4'-P-C4' energy: -117.565 flat angles P-C4'-P energy: -60.118 tors. eta vs tors. theta energy: -1.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2831.992723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.992723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.992723 (E_RNA) where: Base-Base interactions energy: -1949.309 where: short stacking energy: -860.186 Base-Backbone interact. energy: -1.866 local terms energy: -880.817381 where: bonds (distance) C4'-P energy: -156.200 bonds (distance) P-C4' energy: -155.200 flat angles C4'-P-C4' energy: -187.389 flat angles P-C4'-P energy: -136.440 tors. eta vs tors. theta energy: -245.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2750.018945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.018945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.018945 (E_RNA) where: Base-Base interactions energy: -1867.593 where: short stacking energy: -791.008 Base-Backbone interact. energy: -4.202 local terms energy: -878.224463 where: bonds (distance) C4'-P energy: -173.677 bonds (distance) P-C4' energy: -160.344 flat angles C4'-P-C4' energy: -185.971 flat angles P-C4'-P energy: -116.867 tors. eta vs tors. theta energy: -241.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2581.136995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.136995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.136995 (E_RNA) where: Base-Base interactions energy: -1776.791 where: short stacking energy: -747.490 Base-Backbone interact. energy: -0.941 local terms energy: -803.405759 where: bonds (distance) C4'-P energy: -151.809 bonds (distance) P-C4' energy: -153.586 flat angles C4'-P-C4' energy: -176.488 flat angles P-C4'-P energy: -108.711 tors. eta vs tors. theta energy: -212.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2407.431761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.431761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.431761 (E_RNA) where: Base-Base interactions energy: -1631.278 where: short stacking energy: -697.880 Base-Backbone interact. energy: 2.572 local terms energy: -778.725856 where: bonds (distance) C4'-P energy: -157.216 bonds (distance) P-C4' energy: -142.275 flat angles C4'-P-C4' energy: -165.011 flat angles P-C4'-P energy: -119.577 tors. eta vs tors. theta energy: -194.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2127.713249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.713249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.713249 (E_RNA) where: Base-Base interactions energy: -1405.506 where: short stacking energy: -628.988 Base-Backbone interact. energy: -3.397 local terms energy: -718.810311 where: bonds (distance) C4'-P energy: -132.854 bonds (distance) P-C4' energy: -149.853 flat angles C4'-P-C4' energy: -167.643 flat angles P-C4'-P energy: -92.962 tors. eta vs tors. theta energy: -175.498 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: 6, replica: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1910.062864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.062864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.062864 (E_RNA) where: Base-Base interactions energy: -1228.958 where: short stacking energy: -529.471 Base-Backbone interact. energy: -4.240 local terms energy: -676.865132 where: bonds (distance) C4'-P energy: -141.364 bonds (distance) P-C4' energy: -156.674 flat angles C4'-P-C4' energy: -155.163 flat angles P-C4'-P energy: -95.654 tors. eta vs tors. theta energy: -128.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1711.393404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.393404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.393404 (E_RNA) where: Base-Base interactions energy: -1084.782 where: short stacking energy: -494.199 Base-Backbone interact. energy: 3.384 local terms energy: -629.995347 where: bonds (distance) C4'-P energy: -144.900 bonds (distance) P-C4' energy: -132.605 flat angles C4'-P-C4' energy: -146.078 flat angles P-C4'-P energy: -95.936 tors. eta vs tors. theta energy: -110.477 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: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1555.361832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.361832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.361832 (E_RNA) where: Base-Base interactions energy: -938.869 where: short stacking energy: -406.500 Base-Backbone interact. energy: -0.064 local terms energy: -616.429068 where: bonds (distance) C4'-P energy: -147.719 bonds (distance) P-C4' energy: -154.379 flat angles C4'-P-C4' energy: -151.966 flat angles P-C4'-P energy: -81.423 tors. eta vs tors. theta energy: -80.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -990.980872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.980872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.980872 (E_RNA) where: Base-Base interactions energy: -540.580 where: short stacking energy: -313.236 Base-Backbone interact. energy: -1.419 local terms energy: -448.981684 where: bonds (distance) C4'-P energy: -123.383 bonds (distance) P-C4' energy: -120.083 flat angles C4'-P-C4' energy: -113.215 flat angles P-C4'-P energy: -81.555 tors. eta vs tors. theta energy: -10.746 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: 6 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -715.066433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.066433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.066433 (E_RNA) where: Base-Base interactions energy: -302.217 where: short stacking energy: -201.100 Base-Backbone interact. energy: -5.146 local terms energy: -407.703771 where: bonds (distance) C4'-P energy: -135.110 bonds (distance) P-C4' energy: -129.184 flat angles C4'-P-C4' energy: -116.214 flat angles P-C4'-P energy: -55.883 tors. eta vs tors. theta energy: 28.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2827.944360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.944360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.944360 (E_RNA) where: Base-Base interactions energy: -1948.587 where: short stacking energy: -836.864 Base-Backbone interact. energy: -4.692 local terms energy: -874.664978 where: bonds (distance) C4'-P energy: -158.215 bonds (distance) P-C4' energy: -156.398 flat angles C4'-P-C4' energy: -179.981 flat angles P-C4'-P energy: -143.151 tors. eta vs tors. theta energy: -236.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2747.048274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.048274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.048274 (E_RNA) where: Base-Base interactions energy: -1892.426 where: short stacking energy: -779.813 Base-Backbone interact. energy: -1.848 local terms energy: -852.775025 where: bonds (distance) C4'-P energy: -155.957 bonds (distance) P-C4' energy: -173.618 flat angles C4'-P-C4' energy: -177.344 flat angles P-C4'-P energy: -116.958 tors. eta vs tors. theta energy: -228.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2599.014788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.014788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.014788 (E_RNA) where: Base-Base interactions energy: -1795.821 where: short stacking energy: -756.821 Base-Backbone interact. energy: -2.920 local terms energy: -800.273046 where: bonds (distance) C4'-P energy: -136.740 bonds (distance) P-C4' energy: -156.703 flat angles C4'-P-C4' energy: -185.977 flat angles P-C4'-P energy: -102.613 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: 4, replica: 10 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2387.602432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.602432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.602432 (E_RNA) where: Base-Base interactions energy: -1628.576 where: short stacking energy: -706.249 Base-Backbone interact. energy: -1.778 local terms energy: -757.248440 where: bonds (distance) C4'-P energy: -144.684 bonds (distance) P-C4' energy: -150.644 flat angles C4'-P-C4' energy: -171.328 flat angles P-C4'-P energy: -102.151 tors. eta vs tors. theta energy: -188.442 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: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2177.885184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.885184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.885184 (E_RNA) where: Base-Base interactions energy: -1436.598 where: short stacking energy: -615.793 Base-Backbone interact. energy: 4.442 local terms energy: -745.728727 where: bonds (distance) C4'-P energy: -160.129 bonds (distance) P-C4' energy: -158.377 flat angles C4'-P-C4' energy: -149.671 flat angles P-C4'-P energy: -114.565 tors. eta vs tors. theta energy: -162.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1948.139639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.139639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.139639 (E_RNA) where: Base-Base interactions energy: -1252.468 where: short stacking energy: -581.462 Base-Backbone interact. energy: -2.712 local terms energy: -692.959324 where: bonds (distance) C4'-P energy: -117.090 bonds (distance) P-C4' energy: -164.595 flat angles C4'-P-C4' energy: -171.176 flat angles P-C4'-P energy: -100.313 tors. eta vs tors. theta energy: -139.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1772.783926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.783926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.783926 (E_RNA) where: Base-Base interactions energy: -1137.152 where: short stacking energy: -492.134 Base-Backbone interact. energy: -3.974 local terms energy: -631.657472 where: bonds (distance) C4'-P energy: -136.869 bonds (distance) P-C4' energy: -150.361 flat angles C4'-P-C4' energy: -149.231 flat angles P-C4'-P energy: -88.563 tors. eta vs tors. theta energy: -106.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1503.605117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.605117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.605117 (E_RNA) where: Base-Base interactions energy: -921.665 where: short stacking energy: -395.222 Base-Backbone interact. energy: -3.873 local terms energy: -578.067143 where: bonds (distance) C4'-P energy: -135.247 bonds (distance) P-C4' energy: -142.956 flat angles C4'-P-C4' energy: -131.945 flat angles P-C4'-P energy: -90.592 tors. eta vs tors. theta energy: -77.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1013.636734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.636734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.636734 (E_RNA) where: Base-Base interactions energy: -500.639 where: short stacking energy: -304.211 Base-Backbone interact. energy: 5.944 local terms energy: -518.941900 where: bonds (distance) C4'-P energy: -136.477 bonds (distance) P-C4' energy: -140.499 flat angles C4'-P-C4' energy: -141.388 flat angles P-C4'-P energy: -58.869 tors. eta vs tors. theta energy: -41.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -748.531675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.531675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.531675 (E_RNA) where: Base-Base interactions energy: -348.809 where: short stacking energy: -216.882 Base-Backbone interact. energy: -1.652 local terms energy: -398.070179 where: bonds (distance) C4'-P energy: -122.866 bonds (distance) P-C4' energy: -132.534 flat angles C4'-P-C4' energy: -125.776 flat angles P-C4'-P energy: -52.189 tors. eta vs tors. theta energy: 35.295 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: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2814.239650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.239650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.239650 (E_RNA) where: Base-Base interactions energy: -1920.786 where: short stacking energy: -848.912 Base-Backbone interact. energy: -2.588 local terms energy: -890.865236 where: bonds (distance) C4'-P energy: -157.284 bonds (distance) P-C4' energy: -174.261 flat angles C4'-P-C4' energy: -188.956 flat angles P-C4'-P energy: -124.546 tors. eta vs tors. theta energy: -245.818 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: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2753.295395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.295395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.295395 (E_RNA) where: Base-Base interactions energy: -1864.220 where: short stacking energy: -814.709 Base-Backbone interact. energy: -4.046 local terms energy: -885.029690 where: bonds (distance) C4'-P energy: -167.737 bonds (distance) P-C4' energy: -176.409 flat angles C4'-P-C4' energy: -185.198 flat angles P-C4'-P energy: -106.067 tors. eta vs tors. theta energy: -249.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2586.098375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.098375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.098375 (E_RNA) where: Base-Base interactions energy: -1753.624 where: short stacking energy: -762.218 Base-Backbone interact. energy: -1.498 local terms energy: -830.976375 where: bonds (distance) C4'-P energy: -156.681 bonds (distance) P-C4' energy: -166.229 flat angles C4'-P-C4' energy: -181.457 flat angles P-C4'-P energy: -111.293 tors. eta vs tors. theta energy: -215.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2419.192720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.192720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.192720 (E_RNA) where: Base-Base interactions energy: -1624.456 where: short stacking energy: -701.556 Base-Backbone interact. energy: -3.194 local terms energy: -791.542367 where: bonds (distance) C4'-P energy: -159.879 bonds (distance) P-C4' energy: -160.931 flat angles C4'-P-C4' energy: -166.662 flat angles P-C4'-P energy: -104.690 tors. eta vs tors. theta energy: -199.380 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: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2195.290534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.290534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.290534 (E_RNA) where: Base-Base interactions energy: -1474.021 where: short stacking energy: -608.918 Base-Backbone interact. energy: -2.400 local terms energy: -718.868914 where: bonds (distance) C4'-P energy: -147.982 bonds (distance) P-C4' energy: -142.959 flat angles C4'-P-C4' energy: -159.434 flat angles P-C4'-P energy: -117.147 tors. eta vs tors. theta energy: -151.347 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: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1919.924106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.924106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.924106 (E_RNA) where: Base-Base interactions energy: -1246.159 where: short stacking energy: -533.157 Base-Backbone interact. energy: 1.429 local terms energy: -675.194777 where: bonds (distance) C4'-P energy: -144.574 bonds (distance) P-C4' energy: -150.175 flat angles C4'-P-C4' energy: -158.357 flat angles P-C4'-P energy: -91.561 tors. eta vs tors. theta energy: -130.528 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: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1759.740228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.740228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.740228 (E_RNA) where: Base-Base interactions energy: -1138.598 where: short stacking energy: -490.101 Base-Backbone interact. energy: -1.682 local terms energy: -619.460695 where: bonds (distance) C4'-P energy: -136.807 bonds (distance) P-C4' energy: -127.492 flat angles C4'-P-C4' energy: -148.548 flat angles P-C4'-P energy: -84.733 tors. eta vs tors. theta energy: -121.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1497.883702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.883702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.883702 (E_RNA) where: Base-Base interactions energy: -937.237 where: short stacking energy: -431.913 Base-Backbone interact. energy: 6.741 local terms energy: -567.387924 where: bonds (distance) C4'-P energy: -132.522 bonds (distance) P-C4' energy: -135.621 flat angles C4'-P-C4' energy: -129.766 flat angles P-C4'-P energy: -84.235 tors. eta vs tors. theta energy: -85.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1009.830651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.830651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.830651 (E_RNA) where: Base-Base interactions energy: -487.372 where: short stacking energy: -281.300 Base-Backbone interact. energy: -1.781 local terms energy: -520.678190 where: bonds (distance) C4'-P energy: -139.472 bonds (distance) P-C4' energy: -128.550 flat angles C4'-P-C4' energy: -134.736 flat angles P-C4'-P energy: -88.087 tors. eta vs tors. theta energy: -29.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -749.566294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.566294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.566294 (E_RNA) where: Base-Base interactions energy: -319.856 where: short stacking energy: -218.545 Base-Backbone interact. energy: 3.628 local terms energy: -433.338412 where: bonds (distance) C4'-P energy: -130.299 bonds (distance) P-C4' energy: -131.732 flat angles C4'-P-C4' energy: -118.984 flat angles P-C4'-P energy: -63.868 tors. eta vs tors. theta energy: 11.545 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: 1, replica: 1 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2789.717774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.717774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.717774 (E_RNA) where: Base-Base interactions energy: -1883.048 where: short stacking energy: -826.606 Base-Backbone interact. energy: -3.589 local terms energy: -903.081011 where: bonds (distance) C4'-P energy: -173.367 bonds (distance) P-C4' energy: -167.811 flat angles C4'-P-C4' energy: -198.252 flat angles P-C4'-P energy: -124.792 tors. eta vs tors. theta energy: -238.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2730.957987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.957987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.957987 (E_RNA) where: Base-Base interactions energy: -1877.518 where: short stacking energy: -793.029 Base-Backbone interact. energy: -6.109 local terms energy: -847.331003 where: bonds (distance) C4'-P energy: -156.819 bonds (distance) P-C4' energy: -152.992 flat angles C4'-P-C4' energy: -171.345 flat angles P-C4'-P energy: -127.801 tors. eta vs tors. theta energy: -238.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2595.064106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.064106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.064106 (E_RNA) where: Base-Base interactions energy: -1796.778 where: short stacking energy: -744.642 Base-Backbone interact. energy: -1.561 local terms energy: -796.724787 where: bonds (distance) C4'-P energy: -137.801 bonds (distance) P-C4' energy: -156.446 flat angles C4'-P-C4' energy: -175.555 flat angles P-C4'-P energy: -104.896 tors. eta vs tors. theta energy: -222.027 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: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2385.508648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.508648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.508648 (E_RNA) where: Base-Base interactions energy: -1611.828 where: short stacking energy: -687.014 Base-Backbone interact. energy: -0.808 local terms energy: -772.873401 where: bonds (distance) C4'-P energy: -142.520 bonds (distance) P-C4' energy: -145.222 flat angles C4'-P-C4' energy: -162.606 flat angles P-C4'-P energy: -121.941 tors. eta vs tors. theta energy: -200.584 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: 5, replica: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2206.817437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.817437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.817437 (E_RNA) where: Base-Base interactions energy: -1494.329 where: short stacking energy: -634.495 Base-Backbone interact. energy: -2.584 local terms energy: -709.905268 where: bonds (distance) C4'-P energy: -147.273 bonds (distance) P-C4' energy: -151.549 flat angles C4'-P-C4' energy: -170.091 flat angles P-C4'-P energy: -71.030 tors. eta vs tors. theta energy: -169.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1941.845115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.845115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.845115 (E_RNA) where: Base-Base interactions energy: -1276.497 where: short stacking energy: -577.717 Base-Backbone interact. energy: -2.268 local terms energy: -663.079976 where: bonds (distance) C4'-P energy: -138.692 bonds (distance) P-C4' energy: -134.928 flat angles C4'-P-C4' energy: -165.704 flat angles P-C4'-P energy: -89.727 tors. eta vs tors. theta energy: -134.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1719.844781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.844781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.844781 (E_RNA) where: Base-Base interactions energy: -1086.430 where: short stacking energy: -465.607 Base-Backbone interact. energy: -1.358 local terms energy: -632.056852 where: bonds (distance) C4'-P energy: -140.680 bonds (distance) P-C4' energy: -139.661 flat angles C4'-P-C4' energy: -140.169 flat angles P-C4'-P energy: -107.789 tors. eta vs tors. theta energy: -103.757 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: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1472.039222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.039222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.039222 (E_RNA) where: Base-Base interactions energy: -922.649 where: short stacking energy: -407.669 Base-Backbone interact. energy: 5.109 local terms energy: -554.499758 where: bonds (distance) C4'-P energy: -152.535 bonds (distance) P-C4' energy: -125.120 flat angles C4'-P-C4' energy: -134.905 flat angles P-C4'-P energy: -81.643 tors. eta vs tors. theta energy: -60.297 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: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1053.815513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.815513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.815513 (E_RNA) where: Base-Base interactions energy: -535.948 where: short stacking energy: -281.515 Base-Backbone interact. energy: -4.259 local terms energy: -513.608705 where: bonds (distance) C4'-P energy: -148.676 bonds (distance) P-C4' energy: -133.140 flat angles C4'-P-C4' energy: -115.348 flat angles P-C4'-P energy: -88.700 tors. eta vs tors. theta energy: -27.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -718.651397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.651397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.651397 (E_RNA) where: Base-Base interactions energy: -295.262 where: short stacking energy: -186.339 Base-Backbone interact. energy: -0.044 local terms energy: -423.346006 where: bonds (distance) C4'-P energy: -121.900 bonds (distance) P-C4' energy: -130.437 flat angles C4'-P-C4' energy: -118.011 flat angles P-C4'-P energy: -73.233 tors. eta vs tors. theta energy: 20.235 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: 1 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2809.010561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.010561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.010561 (E_RNA) where: Base-Base interactions energy: -1932.457 where: short stacking energy: -846.496 Base-Backbone interact. energy: -3.053 local terms energy: -873.500550 where: bonds (distance) C4'-P energy: -150.625 bonds (distance) P-C4' energy: -163.599 flat angles C4'-P-C4' energy: -187.044 flat angles P-C4'-P energy: -127.143 tors. eta vs tors. theta energy: -245.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2744.772606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.772606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.772606 (E_RNA) where: Base-Base interactions energy: -1855.997 where: short stacking energy: -809.642 Base-Backbone interact. energy: -0.088 local terms energy: -888.687204 where: bonds (distance) C4'-P energy: -164.675 bonds (distance) P-C4' energy: -164.453 flat angles C4'-P-C4' energy: -197.210 flat angles P-C4'-P energy: -125.753 tors. eta vs tors. theta energy: -236.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2607.009440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.009440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.009440 (E_RNA) where: Base-Base interactions energy: -1787.867 where: short stacking energy: -755.839 Base-Backbone interact. energy: -4.681 local terms energy: -814.461822 where: bonds (distance) C4'-P energy: -145.127 bonds (distance) P-C4' energy: -169.204 flat angles C4'-P-C4' energy: -169.970 flat angles P-C4'-P energy: -112.347 tors. eta vs tors. theta energy: -217.814 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: 4, replica: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2357.661627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.661627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.661627 (E_RNA) where: Base-Base interactions energy: -1607.550 where: short stacking energy: -678.193 Base-Backbone interact. energy: 1.248 local terms energy: -751.359661 where: bonds (distance) C4'-P energy: -149.822 bonds (distance) P-C4' energy: -141.354 flat angles C4'-P-C4' energy: -168.689 flat angles P-C4'-P energy: -115.381 tors. eta vs tors. theta energy: -176.114 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: 8 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2168.591653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.591653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.591653 (E_RNA) where: Base-Base interactions energy: -1401.257 where: short stacking energy: -630.254 Base-Backbone interact. energy: -2.595 local terms energy: -764.739979 where: bonds (distance) C4'-P energy: -153.542 bonds (distance) P-C4' energy: -154.367 flat angles C4'-P-C4' energy: -161.849 flat angles P-C4'-P energy: -108.022 tors. eta vs tors. theta energy: -186.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1930.058759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.058759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.058759 (E_RNA) where: Base-Base interactions energy: -1288.571 where: short stacking energy: -564.672 Base-Backbone interact. energy: -0.103 local terms energy: -641.384100 where: bonds (distance) C4'-P energy: -127.937 bonds (distance) P-C4' energy: -126.254 flat angles C4'-P-C4' energy: -165.330 flat angles P-C4'-P energy: -97.248 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: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1724.050043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.050043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.050043 (E_RNA) where: Base-Base interactions energy: -1152.261 where: short stacking energy: -495.395 Base-Backbone interact. energy: -2.807 local terms energy: -568.981653 where: bonds (distance) C4'-P energy: -149.843 bonds (distance) P-C4' energy: -139.883 flat angles C4'-P-C4' energy: -120.718 flat angles P-C4'-P energy: -68.670 tors. eta vs tors. theta energy: -89.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1438.836318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.836318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.836318 (E_RNA) where: Base-Base interactions energy: -907.699 where: short stacking energy: -415.938 Base-Backbone interact. energy: -1.384 local terms energy: -529.752575 where: bonds (distance) C4'-P energy: -125.501 bonds (distance) P-C4' energy: -126.837 flat angles C4'-P-C4' energy: -137.181 flat angles P-C4'-P energy: -89.095 tors. eta vs tors. theta energy: -51.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1119.890361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.890361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.890361 (E_RNA) where: Base-Base interactions energy: -597.715 where: short stacking energy: -320.390 Base-Backbone interact. energy: -2.407 local terms energy: -519.768059 where: bonds (distance) C4'-P energy: -135.655 bonds (distance) P-C4' energy: -137.007 flat angles C4'-P-C4' energy: -132.044 flat angles P-C4'-P energy: -75.196 tors. eta vs tors. theta energy: -39.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -699.808012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.808012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.808012 (E_RNA) where: Base-Base interactions energy: -302.132 where: short stacking energy: -214.793 Base-Backbone interact. energy: 1.231 local terms energy: -398.907482 where: bonds (distance) C4'-P energy: -132.283 bonds (distance) P-C4' energy: -123.619 flat angles C4'-P-C4' energy: -96.507 flat angles P-C4'-P energy: -62.128 tors. eta vs tors. theta energy: 15.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2815.480470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.480470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.480470 (E_RNA) where: Base-Base interactions energy: -1936.194 where: short stacking energy: -816.749 Base-Backbone interact. energy: -1.391 local terms energy: -877.895509 where: bonds (distance) C4'-P energy: -172.712 bonds (distance) P-C4' energy: -163.269 flat angles C4'-P-C4' energy: -173.501 flat angles P-C4'-P energy: -113.047 tors. eta vs tors. theta energy: -255.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2775.896071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.896071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.896071 (E_RNA) where: Base-Base interactions energy: -1893.435 where: short stacking energy: -840.079 Base-Backbone interact. energy: 2.566 local terms energy: -885.027547 where: bonds (distance) C4'-P energy: -158.247 bonds (distance) P-C4' energy: -166.711 flat angles C4'-P-C4' energy: -182.187 flat angles P-C4'-P energy: -134.262 tors. eta vs tors. theta energy: -243.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2623.513528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.513528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.513528 (E_RNA) where: Base-Base interactions energy: -1807.452 where: short stacking energy: -755.270 Base-Backbone interact. energy: 2.270 local terms energy: -818.331245 where: bonds (distance) C4'-P energy: -148.765 bonds (distance) P-C4' energy: -138.081 flat angles C4'-P-C4' energy: -186.096 flat angles P-C4'-P energy: -125.751 tors. eta vs tors. theta energy: -219.638 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: 4, replica: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2378.393071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.393071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.393071 (E_RNA) where: Base-Base interactions energy: -1615.872 where: short stacking energy: -675.700 Base-Backbone interact. energy: -1.798 local terms energy: -760.723198 where: bonds (distance) C4'-P energy: -153.604 bonds (distance) P-C4' energy: -148.356 flat angles C4'-P-C4' energy: -165.831 flat angles P-C4'-P energy: -101.672 tors. eta vs tors. theta energy: -191.260 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: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2125.663190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.663190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.663190 (E_RNA) where: Base-Base interactions energy: -1412.046 where: short stacking energy: -614.542 Base-Backbone interact. energy: -0.397 local terms energy: -713.220858 where: bonds (distance) C4'-P energy: -166.584 bonds (distance) P-C4' energy: -145.812 flat angles C4'-P-C4' energy: -143.203 flat angles P-C4'-P energy: -94.790 tors. eta vs tors. theta energy: -162.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1830.410415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.410415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.410415 (E_RNA) where: Base-Base interactions energy: -1172.544 where: short stacking energy: -501.476 Base-Backbone interact. energy: -7.109 local terms energy: -650.757378 where: bonds (distance) C4'-P energy: -139.213 bonds (distance) P-C4' energy: -136.753 flat angles C4'-P-C4' energy: -155.034 flat angles P-C4'-P energy: -98.920 tors. eta vs tors. theta energy: -120.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1798.478006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.478006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.478006 (E_RNA) where: Base-Base interactions energy: -1144.087 where: short stacking energy: -520.022 Base-Backbone interact. energy: -2.385 local terms energy: -652.005880 where: bonds (distance) C4'-P energy: -139.707 bonds (distance) P-C4' energy: -131.484 flat angles C4'-P-C4' energy: -135.236 flat angles P-C4'-P energy: -101.734 tors. eta vs tors. theta energy: -143.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1513.196320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.196320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.196320 (E_RNA) where: Base-Base interactions energy: -964.731 where: short stacking energy: -453.249 Base-Backbone interact. energy: 4.922 local terms energy: -553.387414 where: bonds (distance) C4'-P energy: -140.861 bonds (distance) P-C4' energy: -129.133 flat angles C4'-P-C4' energy: -128.151 flat angles P-C4'-P energy: -71.733 tors. eta vs tors. theta energy: -83.511 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: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1093.442802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.442802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.442802 (E_RNA) where: Base-Base interactions energy: -582.960 where: short stacking energy: -312.935 Base-Backbone interact. energy: 1.246 local terms energy: -511.729151 where: bonds (distance) C4'-P energy: -128.536 bonds (distance) P-C4' energy: -153.815 flat angles C4'-P-C4' energy: -120.518 flat angles P-C4'-P energy: -71.206 tors. eta vs tors. theta energy: -37.655 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: 10, replica: 6 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -762.508394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.508394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.508394 (E_RNA) where: Base-Base interactions energy: -328.282 where: short stacking energy: -198.005 Base-Backbone interact. energy: -2.681 local terms energy: -431.544804 where: bonds (distance) C4'-P energy: -119.822 bonds (distance) P-C4' energy: -136.078 flat angles C4'-P-C4' energy: -120.321 flat angles P-C4'-P energy: -78.760 tors. eta vs tors. theta energy: 23.437 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: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2792.759599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.759599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.759599 (E_RNA) where: Base-Base interactions energy: -1912.667 where: short stacking energy: -815.147 Base-Backbone interact. energy: -4.034 local terms energy: -876.058171 where: bonds (distance) C4'-P energy: -163.115 bonds (distance) P-C4' energy: -153.376 flat angles C4'-P-C4' energy: -185.439 flat angles P-C4'-P energy: -124.752 tors. eta vs tors. theta energy: -249.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2747.687966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.687966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.687966 (E_RNA) where: Base-Base interactions energy: -1901.623 where: short stacking energy: -821.081 Base-Backbone interact. energy: -1.094 local terms energy: -844.971234 where: bonds (distance) C4'-P energy: -165.710 bonds (distance) P-C4' energy: -155.635 flat angles C4'-P-C4' energy: -177.433 flat angles P-C4'-P energy: -108.161 tors. eta vs tors. theta energy: -238.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2613.942145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.942145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.942145 (E_RNA) where: Base-Base interactions energy: -1793.513 where: short stacking energy: -729.545 Base-Backbone interact. energy: 5.052 local terms energy: -825.481066 where: bonds (distance) C4'-P energy: -150.663 bonds (distance) P-C4' energy: -158.085 flat angles C4'-P-C4' energy: -183.272 flat angles P-C4'-P energy: -106.787 tors. eta vs tors. theta energy: -226.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2386.730551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.730551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.730551 (E_RNA) where: Base-Base interactions energy: -1605.844 where: short stacking energy: -701.749 Base-Backbone interact. energy: 0.612 local terms energy: -781.498349 where: bonds (distance) C4'-P energy: -154.788 bonds (distance) P-C4' energy: -163.123 flat angles C4'-P-C4' energy: -164.710 flat angles P-C4'-P energy: -103.949 tors. eta vs tors. theta energy: -194.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2084.650026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.650026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.650026 (E_RNA) where: Base-Base interactions energy: -1357.949 where: short stacking energy: -607.541 Base-Backbone interact. energy: 2.713 local terms energy: -729.413604 where: bonds (distance) C4'-P energy: -146.756 bonds (distance) P-C4' energy: -155.531 flat angles C4'-P-C4' energy: -160.284 flat angles P-C4'-P energy: -103.128 tors. eta vs tors. theta energy: -163.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1854.021441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.021441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.021441 (E_RNA) where: Base-Base interactions energy: -1171.570 where: short stacking energy: -505.844 Base-Backbone interact. energy: -3.568 local terms energy: -678.883934 where: bonds (distance) C4'-P energy: -157.487 bonds (distance) P-C4' energy: -158.611 flat angles C4'-P-C4' energy: -147.813 flat angles P-C4'-P energy: -88.567 tors. eta vs tors. theta energy: -126.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1729.391676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.391676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.391676 (E_RNA) where: Base-Base interactions energy: -1098.416 where: short stacking energy: -493.233 Base-Backbone interact. energy: 4.845 local terms energy: -635.820842 where: bonds (distance) C4'-P energy: -134.675 bonds (distance) P-C4' energy: -146.908 flat angles C4'-P-C4' energy: -126.972 flat angles P-C4'-P energy: -94.327 tors. eta vs tors. theta energy: -132.939 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: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1370.646417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.646417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.646417 (E_RNA) where: Base-Base interactions energy: -795.541 where: short stacking energy: -366.302 Base-Backbone interact. energy: 4.720 local terms energy: -579.825349 where: bonds (distance) C4'-P energy: -141.392 bonds (distance) P-C4' energy: -146.580 flat angles C4'-P-C4' energy: -138.884 flat angles P-C4'-P energy: -83.692 tors. eta vs tors. theta energy: -69.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1048.676757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.676757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.676757 (E_RNA) where: Base-Base interactions energy: -566.920 where: short stacking energy: -298.655 Base-Backbone interact. energy: -0.960 local terms energy: -480.797485 where: bonds (distance) C4'-P energy: -131.425 bonds (distance) P-C4' energy: -143.282 flat angles C4'-P-C4' energy: -121.966 flat angles P-C4'-P energy: -61.633 tors. eta vs tors. theta energy: -22.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -798.819451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.819451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.819451 (E_RNA) where: Base-Base interactions energy: -362.488 where: short stacking energy: -221.360 Base-Backbone interact. energy: 2.195 local terms energy: -438.526610 where: bonds (distance) C4'-P energy: -128.224 bonds (distance) P-C4' energy: -148.178 flat angles C4'-P-C4' energy: -114.259 flat angles P-C4'-P energy: -66.166 tors. eta vs tors. theta energy: 18.301 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: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2820.281397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.281397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.281397 (E_RNA) where: Base-Base interactions energy: -1931.687 where: short stacking energy: -822.351 Base-Backbone interact. energy: -6.591 local terms energy: -882.003389 where: bonds (distance) C4'-P energy: -146.211 bonds (distance) P-C4' energy: -182.015 flat angles C4'-P-C4' energy: -184.681 flat angles P-C4'-P energy: -122.523 tors. eta vs tors. theta energy: -246.573 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: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2729.968300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.968300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.968300 (E_RNA) where: Base-Base interactions energy: -1855.779 where: short stacking energy: -808.063 Base-Backbone interact. energy: 2.013 local terms energy: -876.202392 where: bonds (distance) C4'-P energy: -155.300 bonds (distance) P-C4' energy: -164.337 flat angles C4'-P-C4' energy: -182.806 flat angles P-C4'-P energy: -124.022 tors. eta vs tors. theta energy: -249.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2580.198157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.198157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.198157 (E_RNA) where: Base-Base interactions energy: -1764.812 where: short stacking energy: -735.909 Base-Backbone interact. energy: -2.650 local terms energy: -812.736322 where: bonds (distance) C4'-P energy: -153.885 bonds (distance) P-C4' energy: -160.278 flat angles C4'-P-C4' energy: -174.583 flat angles P-C4'-P energy: -112.785 tors. eta vs tors. theta energy: -211.206 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: 4, replica: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2416.096044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.096044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.096044 (E_RNA) where: Base-Base interactions energy: -1659.590 where: short stacking energy: -736.342 Base-Backbone interact. energy: 0.767 local terms energy: -757.273149 where: bonds (distance) C4'-P energy: -150.926 bonds (distance) P-C4' energy: -147.703 flat angles C4'-P-C4' energy: -162.684 flat angles P-C4'-P energy: -98.703 tors. eta vs tors. theta energy: -197.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1933.213125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.213125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.213125 (E_RNA) where: Base-Base interactions energy: -1231.653 where: short stacking energy: -562.458 Base-Backbone interact. energy: -4.922 local terms energy: -696.638059 where: bonds (distance) C4'-P energy: -145.950 bonds (distance) P-C4' energy: -159.185 flat angles C4'-P-C4' energy: -151.306 flat angles P-C4'-P energy: -97.838 tors. eta vs tors. theta energy: -142.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2007.380055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.380055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.380055 (E_RNA) where: Base-Base interactions energy: -1305.854 where: short stacking energy: -564.389 Base-Backbone interact. energy: 1.738 local terms energy: -703.264118 where: bonds (distance) C4'-P energy: -127.053 bonds (distance) P-C4' energy: -156.221 flat angles C4'-P-C4' energy: -176.886 flat angles P-C4'-P energy: -97.261 tors. eta vs tors. theta energy: -145.844 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: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1787.369244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.369244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.369244 (E_RNA) where: Base-Base interactions energy: -1147.535 where: short stacking energy: -540.282 Base-Backbone interact. energy: -1.531 local terms energy: -638.303314 where: bonds (distance) C4'-P energy: -114.655 bonds (distance) P-C4' energy: -152.720 flat angles C4'-P-C4' energy: -157.144 flat angles P-C4'-P energy: -89.039 tors. eta vs tors. theta energy: -124.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1456.963212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.963212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.963212 (E_RNA) where: Base-Base interactions energy: -901.791 where: short stacking energy: -432.952 Base-Backbone interact. energy: 3.348 local terms energy: -558.520351 where: bonds (distance) C4'-P energy: -136.350 bonds (distance) P-C4' energy: -128.274 flat angles C4'-P-C4' energy: -130.190 flat angles P-C4'-P energy: -87.852 tors. eta vs tors. theta energy: -75.855 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: 9, replica: 6 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -912.716082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.716082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.716082 (E_RNA) where: Base-Base interactions energy: -449.041 where: short stacking energy: -247.461 Base-Backbone interact. energy: -1.078 local terms energy: -462.597736 where: bonds (distance) C4'-P energy: -143.479 bonds (distance) P-C4' energy: -162.716 flat angles C4'-P-C4' energy: -113.551 flat angles P-C4'-P energy: -56.256 tors. eta vs tors. theta energy: 13.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -943.691736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.691736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.691736 (E_RNA) where: Base-Base interactions energy: -514.313 where: short stacking energy: -304.899 Base-Backbone interact. energy: 2.654 local terms energy: -432.032631 where: bonds (distance) C4'-P energy: -114.844 bonds (distance) P-C4' energy: -142.651 flat angles C4'-P-C4' energy: -113.150 flat angles P-C4'-P energy: -51.424 tors. eta vs tors. theta energy: -9.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2831.862368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.862368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.862368 (E_RNA) where: Base-Base interactions energy: -1937.602 where: short stacking energy: -818.754 Base-Backbone interact. energy: -5.945 local terms energy: -888.315454 where: bonds (distance) C4'-P energy: -164.990 bonds (distance) P-C4' energy: -164.735 flat angles C4'-P-C4' energy: -186.850 flat angles P-C4'-P energy: -126.179 tors. eta vs tors. theta energy: -245.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2760.670328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.670328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.670328 (E_RNA) where: Base-Base interactions energy: -1878.972 where: short stacking energy: -816.991 Base-Backbone interact. energy: 0.062 local terms energy: -881.760372 where: bonds (distance) C4'-P energy: -154.469 bonds (distance) P-C4' energy: -163.903 flat angles C4'-P-C4' energy: -183.465 flat angles P-C4'-P energy: -123.303 tors. eta vs tors. theta energy: -256.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2544.940449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.940449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.940449 (E_RNA) where: Base-Base interactions energy: -1752.862 where: short stacking energy: -740.063 Base-Backbone interact. energy: -0.544 local terms energy: -791.534050 where: bonds (distance) C4'-P energy: -162.966 bonds (distance) P-C4' energy: -142.946 flat angles C4'-P-C4' energy: -172.043 flat angles P-C4'-P energy: -109.524 tors. eta vs tors. theta energy: -204.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2427.321936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.321936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.321936 (E_RNA) where: Base-Base interactions energy: -1643.463 where: short stacking energy: -689.943 Base-Backbone interact. energy: 1.051 local terms energy: -784.909370 where: bonds (distance) C4'-P energy: -147.767 bonds (distance) P-C4' energy: -159.889 flat angles C4'-P-C4' energy: -172.414 flat angles P-C4'-P energy: -107.644 tors. eta vs tors. theta energy: -197.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1978.170101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.170101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.170101 (E_RNA) where: Base-Base interactions energy: -1280.689 where: short stacking energy: -600.033 Base-Backbone interact. energy: -1.392 local terms energy: -696.088453 where: bonds (distance) C4'-P energy: -149.316 bonds (distance) P-C4' energy: -143.132 flat angles C4'-P-C4' energy: -151.322 flat angles P-C4'-P energy: -102.349 tors. eta vs tors. theta energy: -149.970 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: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1825.767812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.767812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.767812 (E_RNA) where: Base-Base interactions energy: -1173.897 where: short stacking energy: -520.340 Base-Backbone interact. energy: -3.126 local terms energy: -648.744531 where: bonds (distance) C4'-P energy: -142.726 bonds (distance) P-C4' energy: -147.464 flat angles C4'-P-C4' energy: -146.582 flat angles P-C4'-P energy: -97.187 tors. eta vs tors. theta energy: -114.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1824.842548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.842548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.842548 (E_RNA) where: Base-Base interactions energy: -1178.759 where: short stacking energy: -546.974 Base-Backbone interact. energy: -2.203 local terms energy: -643.879694 where: bonds (distance) C4'-P energy: -139.916 bonds (distance) P-C4' energy: -138.259 flat angles C4'-P-C4' energy: -149.419 flat angles P-C4'-P energy: -83.566 tors. eta vs tors. theta energy: -132.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1370.931507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.931507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.931507 (E_RNA) where: Base-Base interactions energy: -783.435 where: short stacking energy: -396.026 Base-Backbone interact. energy: -2.165 local terms energy: -585.330987 where: bonds (distance) C4'-P energy: -139.121 bonds (distance) P-C4' energy: -156.988 flat angles C4'-P-C4' energy: -134.386 flat angles P-C4'-P energy: -79.158 tors. eta vs tors. theta energy: -75.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -915.385826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.385826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.385826 (E_RNA) where: Base-Base interactions energy: -450.243 where: short stacking energy: -282.958 Base-Backbone interact. energy: 1.960 local terms energy: -467.103324 where: bonds (distance) C4'-P energy: -127.860 bonds (distance) P-C4' energy: -137.490 flat angles C4'-P-C4' energy: -124.968 flat angles P-C4'-P energy: -69.477 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: 10, replica: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -903.750507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.750507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.750507 (E_RNA) where: Base-Base interactions energy: -465.682 where: short stacking energy: -255.489 Base-Backbone interact. energy: -4.942 local terms energy: -433.127084 where: bonds (distance) C4'-P energy: -123.914 bonds (distance) P-C4' energy: -144.076 flat angles C4'-P-C4' energy: -109.644 flat angles P-C4'-P energy: -73.142 tors. eta vs tors. theta energy: 17.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2811.215506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.215506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.215506 (E_RNA) where: Base-Base interactions energy: -1941.476 where: short stacking energy: -835.417 Base-Backbone interact. energy: -3.638 local terms energy: -866.101292 where: bonds (distance) C4'-P energy: -159.197 bonds (distance) P-C4' energy: -167.971 flat angles C4'-P-C4' energy: -181.455 flat angles P-C4'-P energy: -120.308 tors. eta vs tors. theta energy: -237.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2794.541892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.541892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.541892 (E_RNA) where: Base-Base interactions energy: -1903.277 where: short stacking energy: -815.454 Base-Backbone interact. energy: -5.854 local terms energy: -885.411352 where: bonds (distance) C4'-P energy: -160.278 bonds (distance) P-C4' energy: -171.997 flat angles C4'-P-C4' energy: -184.644 flat angles P-C4'-P energy: -133.259 tors. eta vs tors. theta energy: -235.234 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: 222 Temperature: 1.000000 Total energy: -2570.951288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.951288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.951288 (E_RNA) where: Base-Base interactions energy: -1743.262 where: short stacking energy: -739.892 Base-Backbone interact. energy: 0.716 local terms energy: -828.405813 where: bonds (distance) C4'-P energy: -147.040 bonds (distance) P-C4' energy: -166.988 flat angles C4'-P-C4' energy: -175.892 flat angles P-C4'-P energy: -122.346 tors. eta vs tors. theta energy: -216.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2449.783541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.783541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.783541 (E_RNA) where: Base-Base interactions energy: -1646.109 where: short stacking energy: -699.131 Base-Backbone interact. energy: 0.091 local terms energy: -803.765794 where: bonds (distance) C4'-P energy: -155.094 bonds (distance) P-C4' energy: -159.922 flat angles C4'-P-C4' energy: -174.594 flat angles P-C4'-P energy: -109.331 tors. eta vs tors. theta energy: -204.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2046.963187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.963187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.963187 (E_RNA) where: Base-Base interactions energy: -1339.994 where: short stacking energy: -592.006 Base-Backbone interact. energy: 2.546 local terms energy: -709.515235 where: bonds (distance) C4'-P energy: -147.121 bonds (distance) P-C4' energy: -149.938 flat angles C4'-P-C4' energy: -163.970 flat angles P-C4'-P energy: -90.334 tors. eta vs tors. theta energy: -158.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1912.698846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.698846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.698846 (E_RNA) where: Base-Base interactions energy: -1218.397 where: short stacking energy: -556.927 Base-Backbone interact. energy: -4.836 local terms energy: -689.465196 where: bonds (distance) C4'-P energy: -139.172 bonds (distance) P-C4' energy: -142.975 flat angles C4'-P-C4' energy: -165.834 flat angles P-C4'-P energy: -104.080 tors. eta vs tors. theta energy: -137.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1701.705079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.705079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.705079 (E_RNA) where: Base-Base interactions energy: -1083.952 where: short stacking energy: -466.113 Base-Backbone interact. energy: -0.867 local terms energy: -616.886275 where: bonds (distance) C4'-P energy: -151.108 bonds (distance) P-C4' energy: -141.133 flat angles C4'-P-C4' energy: -142.935 flat angles P-C4'-P energy: -73.113 tors. eta vs tors. theta energy: -108.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1460.196027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.196027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.196027 (E_RNA) where: Base-Base interactions energy: -869.355 where: short stacking energy: -405.394 Base-Backbone interact. energy: 1.115 local terms energy: -591.955490 where: bonds (distance) C4'-P energy: -125.070 bonds (distance) P-C4' energy: -151.507 flat angles C4'-P-C4' energy: -151.980 flat angles P-C4'-P energy: -90.988 tors. eta vs tors. theta energy: -72.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -973.465572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.465572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.465572 (E_RNA) where: Base-Base interactions energy: -514.496 where: short stacking energy: -278.079 Base-Backbone interact. energy: -1.171 local terms energy: -457.797921 where: bonds (distance) C4'-P energy: -140.534 bonds (distance) P-C4' energy: -151.299 flat angles C4'-P-C4' energy: -103.025 flat angles P-C4'-P energy: -62.609 tors. eta vs tors. theta energy: -0.331 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: 10, replica: 6 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -833.788564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.788564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.788564 (E_RNA) where: Base-Base interactions energy: -398.441 where: short stacking energy: -237.459 Base-Backbone interact. energy: 0.913 local terms energy: -436.260619 where: bonds (distance) C4'-P energy: -143.720 bonds (distance) P-C4' energy: -133.700 flat angles C4'-P-C4' energy: -114.206 flat angles P-C4'-P energy: -58.421 tors. eta vs tors. theta energy: 13.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2826.789746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.789746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.789746 (E_RNA) where: Base-Base interactions energy: -1950.488 where: short stacking energy: -784.171 Base-Backbone interact. energy: -2.683 local terms energy: -873.618736 where: bonds (distance) C4'-P energy: -150.203 bonds (distance) P-C4' energy: -161.829 flat angles C4'-P-C4' energy: -207.634 flat angles P-C4'-P energy: -124.936 tors. eta vs tors. theta energy: -229.015 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: 1 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2784.235536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.235536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.235536 (E_RNA) where: Base-Base interactions energy: -1925.983 where: short stacking energy: -834.042 Base-Backbone interact. energy: 2.573 local terms energy: -860.825048 where: bonds (distance) C4'-P energy: -164.406 bonds (distance) P-C4' energy: -148.304 flat angles C4'-P-C4' energy: -183.598 flat angles P-C4'-P energy: -116.664 tors. eta vs tors. theta energy: -247.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2634.086015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.086015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.086015 (E_RNA) where: Base-Base interactions energy: -1814.714 where: short stacking energy: -769.260 Base-Backbone interact. energy: -2.326 local terms energy: -817.046873 where: bonds (distance) C4'-P energy: -155.091 bonds (distance) P-C4' energy: -143.868 flat angles C4'-P-C4' energy: -188.031 flat angles P-C4'-P energy: -109.995 tors. eta vs tors. theta energy: -220.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2428.560684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.560684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.560684 (E_RNA) where: Base-Base interactions energy: -1649.797 where: short stacking energy: -715.656 Base-Backbone interact. energy: -1.978 local terms energy: -776.785510 where: bonds (distance) C4'-P energy: -153.644 bonds (distance) P-C4' energy: -155.939 flat angles C4'-P-C4' energy: -166.085 flat angles P-C4'-P energy: -101.674 tors. eta vs tors. theta energy: -199.444 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: 5, replica: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2003.065310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.065310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.065310 (E_RNA) where: Base-Base interactions energy: -1311.398 where: short stacking energy: -580.095 Base-Backbone interact. energy: -5.401 local terms energy: -686.265995 where: bonds (distance) C4'-P energy: -140.144 bonds (distance) P-C4' energy: -147.270 flat angles C4'-P-C4' energy: -137.255 flat angles P-C4'-P energy: -114.556 tors. eta vs tors. theta energy: -147.041 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: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2024.591637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.591637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.591637 (E_RNA) where: Base-Base interactions energy: -1323.069 where: short stacking energy: -564.502 Base-Backbone interact. energy: -0.068 local terms energy: -701.454187 where: bonds (distance) C4'-P energy: -150.002 bonds (distance) P-C4' energy: -153.831 flat angles C4'-P-C4' energy: -146.127 flat angles P-C4'-P energy: -104.011 tors. eta vs tors. theta energy: -147.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1702.819046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.819046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.819046 (E_RNA) where: Base-Base interactions energy: -1060.581 where: short stacking energy: -465.950 Base-Backbone interact. energy: 4.557 local terms energy: -646.794697 where: bonds (distance) C4'-P energy: -143.936 bonds (distance) P-C4' energy: -143.461 flat angles C4'-P-C4' energy: -161.157 flat angles P-C4'-P energy: -109.598 tors. eta vs tors. theta energy: -88.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1472.853495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.853495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.853495 (E_RNA) where: Base-Base interactions energy: -906.841 where: short stacking energy: -429.736 Base-Backbone interact. energy: -2.155 local terms energy: -563.857399 where: bonds (distance) C4'-P energy: -141.357 bonds (distance) P-C4' energy: -143.732 flat angles C4'-P-C4' energy: -137.655 flat angles P-C4'-P energy: -65.987 tors. eta vs tors. theta energy: -75.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1040.138673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.138673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.138673 (E_RNA) where: Base-Base interactions energy: -572.838 where: short stacking energy: -313.080 Base-Backbone interact. energy: 2.326 local terms energy: -469.626692 where: bonds (distance) C4'-P energy: -137.615 bonds (distance) P-C4' energy: -114.332 flat angles C4'-P-C4' energy: -135.113 flat angles P-C4'-P energy: -64.895 tors. eta vs tors. theta energy: -17.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -775.767765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.767765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.767765 (E_RNA) where: Base-Base interactions energy: -348.054 where: short stacking energy: -219.446 Base-Backbone interact. energy: 10.814 local terms energy: -438.527132 where: bonds (distance) C4'-P energy: -132.015 bonds (distance) P-C4' energy: -128.523 flat angles C4'-P-C4' energy: -109.635 flat angles P-C4'-P energy: -60.793 tors. eta vs tors. theta energy: -7.561 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: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2829.447610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.447610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.447610 (E_RNA) where: Base-Base interactions energy: -1966.093 where: short stacking energy: -805.228 Base-Backbone interact. energy: -1.555 local terms energy: -861.799881 where: bonds (distance) C4'-P energy: -161.244 bonds (distance) P-C4' energy: -160.222 flat angles C4'-P-C4' energy: -186.556 flat angles P-C4'-P energy: -113.640 tors. eta vs tors. theta energy: -240.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2743.002243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.002243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.002243 (E_RNA) where: Base-Base interactions energy: -1870.198 where: short stacking energy: -776.106 Base-Backbone interact. energy: -2.758 local terms energy: -870.045619 where: bonds (distance) C4'-P energy: -157.281 bonds (distance) P-C4' energy: -162.696 flat angles C4'-P-C4' energy: -183.879 flat angles P-C4'-P energy: -127.383 tors. eta vs tors. theta energy: -238.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2642.853582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.853582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.853582 (E_RNA) where: Base-Base interactions energy: -1796.493 where: short stacking energy: -755.660 Base-Backbone interact. energy: -5.113 local terms energy: -841.247868 where: bonds (distance) C4'-P energy: -142.876 bonds (distance) P-C4' energy: -172.438 flat angles C4'-P-C4' energy: -183.670 flat angles P-C4'-P energy: -115.232 tors. eta vs tors. theta energy: -227.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2415.378981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.378981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.378981 (E_RNA) where: Base-Base interactions energy: -1601.043 where: short stacking energy: -692.257 Base-Backbone interact. energy: -3.248 local terms energy: -811.087725 where: bonds (distance) C4'-P energy: -150.390 bonds (distance) P-C4' energy: -154.211 flat angles C4'-P-C4' energy: -174.457 flat angles P-C4'-P energy: -119.589 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: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2096.318104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.318104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.318104 (E_RNA) where: Base-Base interactions energy: -1395.571 where: short stacking energy: -632.671 Base-Backbone interact. energy: 1.686 local terms energy: -702.433188 where: bonds (distance) C4'-P energy: -130.439 bonds (distance) P-C4' energy: -139.411 flat angles C4'-P-C4' energy: -154.479 flat angles P-C4'-P energy: -104.781 tors. eta vs tors. theta energy: -173.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1954.662038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.662038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.662038 (E_RNA) where: Base-Base interactions energy: -1287.006 where: short stacking energy: -570.339 Base-Backbone interact. energy: -0.994 local terms energy: -666.661518 where: bonds (distance) C4'-P energy: -140.636 bonds (distance) P-C4' energy: -141.442 flat angles C4'-P-C4' energy: -144.725 flat angles P-C4'-P energy: -88.149 tors. eta vs tors. theta energy: -151.710 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: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1658.063038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.063038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.063038 (E_RNA) where: Base-Base interactions energy: -1071.242 where: short stacking energy: -502.870 Base-Backbone interact. energy: -1.410 local terms energy: -585.411156 where: bonds (distance) C4'-P energy: -125.156 bonds (distance) P-C4' energy: -157.777 flat angles C4'-P-C4' energy: -131.357 flat angles P-C4'-P energy: -74.810 tors. eta vs tors. theta energy: -96.311 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: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1434.857020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.857020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.857020 (E_RNA) where: Base-Base interactions energy: -907.773 where: short stacking energy: -394.062 Base-Backbone interact. energy: -3.447 local terms energy: -523.636733 where: bonds (distance) C4'-P energy: -125.649 bonds (distance) P-C4' energy: -131.231 flat angles C4'-P-C4' energy: -108.471 flat angles P-C4'-P energy: -86.296 tors. eta vs tors. theta energy: -71.990 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: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1038.337902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.337902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.337902 (E_RNA) where: Base-Base interactions energy: -563.328 where: short stacking energy: -271.940 Base-Backbone interact. energy: -2.874 local terms energy: -472.136578 where: bonds (distance) C4'-P energy: -131.806 bonds (distance) P-C4' energy: -136.209 flat angles C4'-P-C4' energy: -107.006 flat angles P-C4'-P energy: -72.787 tors. eta vs tors. theta energy: -24.329 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: 6 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -801.758945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.758945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.758945 (E_RNA) where: Base-Base interactions energy: -353.237 where: short stacking energy: -220.867 Base-Backbone interact. energy: -1.496 local terms energy: -447.026037 where: bonds (distance) C4'-P energy: -134.297 bonds (distance) P-C4' energy: -140.643 flat angles C4'-P-C4' energy: -121.839 flat angles P-C4'-P energy: -53.321 tors. eta vs tors. theta energy: 3.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2817.124135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.124135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.124135 (E_RNA) where: Base-Base interactions energy: -1928.030 where: short stacking energy: -834.964 Base-Backbone interact. energy: -3.046 local terms energy: -886.048960 where: bonds (distance) C4'-P energy: -178.444 bonds (distance) P-C4' energy: -151.145 flat angles C4'-P-C4' energy: -189.894 flat angles P-C4'-P energy: -119.725 tors. eta vs tors. theta energy: -246.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2778.306570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.306570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.306570 (E_RNA) where: Base-Base interactions energy: -1899.688 where: short stacking energy: -831.070 Base-Backbone interact. energy: -3.029 local terms energy: -875.588721 where: bonds (distance) C4'-P energy: -171.492 bonds (distance) P-C4' energy: -179.165 flat angles C4'-P-C4' energy: -179.049 flat angles P-C4'-P energy: -101.755 tors. eta vs tors. theta energy: -244.128 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: 7 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2683.737623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.737623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.737623 (E_RNA) where: Base-Base interactions energy: -1842.990 where: short stacking energy: -777.714 Base-Backbone interact. energy: -1.914 local terms energy: -838.833324 where: bonds (distance) C4'-P energy: -158.750 bonds (distance) P-C4' energy: -148.669 flat angles C4'-P-C4' energy: -184.863 flat angles P-C4'-P energy: -114.707 tors. eta vs tors. theta energy: -231.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2440.941892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.941892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.941892 (E_RNA) where: Base-Base interactions energy: -1631.567 where: short stacking energy: -728.411 Base-Backbone interact. energy: -4.939 local terms energy: -804.435634 where: bonds (distance) C4'-P energy: -164.096 bonds (distance) P-C4' energy: -150.076 flat angles C4'-P-C4' energy: -168.216 flat angles P-C4'-P energy: -112.618 tors. eta vs tors. theta energy: -209.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2112.543726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.543726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.543726 (E_RNA) where: Base-Base interactions energy: -1373.370 where: short stacking energy: -649.010 Base-Backbone interact. energy: -5.228 local terms energy: -733.945538 where: bonds (distance) C4'-P energy: -155.668 bonds (distance) P-C4' energy: -138.167 flat angles C4'-P-C4' energy: -170.664 flat angles P-C4'-P energy: -106.414 tors. eta vs tors. theta energy: -163.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1873.153439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.153439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.153439 (E_RNA) where: Base-Base interactions energy: -1215.985 where: short stacking energy: -553.458 Base-Backbone interact. energy: -3.529 local terms energy: -653.639581 where: bonds (distance) C4'-P energy: -141.674 bonds (distance) P-C4' energy: -135.789 flat angles C4'-P-C4' energy: -158.027 flat angles P-C4'-P energy: -89.183 tors. eta vs tors. theta energy: -128.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1570.176906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.176906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.176906 (E_RNA) where: Base-Base interactions energy: -979.739 where: short stacking energy: -460.139 Base-Backbone interact. energy: -7.485 local terms energy: -582.952495 where: bonds (distance) C4'-P energy: -120.256 bonds (distance) P-C4' energy: -133.559 flat angles C4'-P-C4' energy: -141.517 flat angles P-C4'-P energy: -92.387 tors. eta vs tors. theta energy: -95.233 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: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1420.054102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.054102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.054102 (E_RNA) where: Base-Base interactions energy: -842.255 where: short stacking energy: -378.517 Base-Backbone interact. energy: 0.214 local terms energy: -578.013074 where: bonds (distance) C4'-P energy: -120.902 bonds (distance) P-C4' energy: -157.942 flat angles C4'-P-C4' energy: -152.201 flat angles P-C4'-P energy: -98.556 tors. eta vs tors. theta energy: -48.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -972.341864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.341864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.341864 (E_RNA) where: Base-Base interactions energy: -513.665 where: short stacking energy: -287.356 Base-Backbone interact. energy: -2.588 local terms energy: -456.089399 where: bonds (distance) C4'-P energy: -132.086 bonds (distance) P-C4' energy: -124.442 flat angles C4'-P-C4' energy: -106.724 flat angles P-C4'-P energy: -77.915 tors. eta vs tors. theta energy: -14.922 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: 6 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -792.863271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.863271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.863271 (E_RNA) where: Base-Base interactions energy: -384.070 where: short stacking energy: -195.477 Base-Backbone interact. energy: -4.514 local terms energy: -404.278962 where: bonds (distance) C4'-P energy: -114.731 bonds (distance) P-C4' energy: -142.839 flat angles C4'-P-C4' energy: -109.161 flat angles P-C4'-P energy: -74.944 tors. eta vs tors. theta energy: 37.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2795.223872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.223872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.223872 (E_RNA) where: Base-Base interactions energy: -1920.569 where: short stacking energy: -816.736 Base-Backbone interact. energy: 0.952 local terms energy: -875.606137 where: bonds (distance) C4'-P energy: -157.648 bonds (distance) P-C4' energy: -179.076 flat angles C4'-P-C4' energy: -182.481 flat angles P-C4'-P energy: -112.711 tors. eta vs tors. theta energy: -243.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2746.129184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.129184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.129184 (E_RNA) where: Base-Base interactions energy: -1869.170 where: short stacking energy: -806.974 Base-Backbone interact. energy: -0.707 local terms energy: -876.252172 where: bonds (distance) C4'-P energy: -161.314 bonds (distance) P-C4' energy: -156.650 flat angles C4'-P-C4' energy: -192.263 flat angles P-C4'-P energy: -129.248 tors. eta vs tors. theta energy: -236.776 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: 7 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2658.970298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.970298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.970298 (E_RNA) where: Base-Base interactions energy: -1832.589 where: short stacking energy: -765.246 Base-Backbone interact. energy: -3.550 local terms energy: -822.832107 where: bonds (distance) C4'-P energy: -143.177 bonds (distance) P-C4' energy: -157.454 flat angles C4'-P-C4' energy: -182.500 flat angles P-C4'-P energy: -113.854 tors. eta vs tors. theta energy: -225.846 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: 10 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2402.584136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.584136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.584136 (E_RNA) where: Base-Base interactions energy: -1599.335 where: short stacking energy: -688.356 Base-Backbone interact. energy: 1.128 local terms energy: -804.377592 where: bonds (distance) C4'-P energy: -161.578 bonds (distance) P-C4' energy: -165.175 flat angles C4'-P-C4' energy: -167.486 flat angles P-C4'-P energy: -114.514 tors. eta vs tors. theta energy: -195.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2122.716057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.716057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.716057 (E_RNA) where: Base-Base interactions energy: -1390.598 where: short stacking energy: -595.950 Base-Backbone interact. energy: 6.035 local terms energy: -738.153236 where: bonds (distance) C4'-P energy: -150.051 bonds (distance) P-C4' energy: -164.497 flat angles C4'-P-C4' energy: -158.603 flat angles P-C4'-P energy: -106.741 tors. eta vs tors. theta energy: -158.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1889.949260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.949260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.949260 (E_RNA) where: Base-Base interactions energy: -1246.749 where: short stacking energy: -528.590 Base-Backbone interact. energy: -1.190 local terms energy: -642.010157 where: bonds (distance) C4'-P energy: -133.420 bonds (distance) P-C4' energy: -159.687 flat angles C4'-P-C4' energy: -156.932 flat angles P-C4'-P energy: -82.980 tors. eta vs tors. theta energy: -108.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1634.693346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.693346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.693346 (E_RNA) where: Base-Base interactions energy: -1006.493 where: short stacking energy: -491.662 Base-Backbone interact. energy: -2.344 local terms energy: -625.855768 where: bonds (distance) C4'-P energy: -133.566 bonds (distance) P-C4' energy: -144.497 flat angles C4'-P-C4' energy: -136.482 flat angles P-C4'-P energy: -99.407 tors. eta vs tors. theta energy: -111.903 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: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1437.251796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.251796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.251796 (E_RNA) where: Base-Base interactions energy: -891.647 where: short stacking energy: -404.591 Base-Backbone interact. energy: 1.558 local terms energy: -547.162174 where: bonds (distance) C4'-P energy: -115.369 bonds (distance) P-C4' energy: -134.993 flat angles C4'-P-C4' energy: -134.764 flat angles P-C4'-P energy: -81.018 tors. eta vs tors. theta energy: -81.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -971.229088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.229088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.229088 (E_RNA) where: Base-Base interactions energy: -498.799 where: short stacking energy: -296.293 Base-Backbone interact. energy: 5.323 local terms energy: -477.752921 where: bonds (distance) C4'-P energy: -128.402 bonds (distance) P-C4' energy: -144.514 flat angles C4'-P-C4' energy: -121.886 flat angles P-C4'-P energy: -62.065 tors. eta vs tors. theta energy: -20.886 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: 6 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -837.571479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.571479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.571479 (E_RNA) where: Base-Base interactions energy: -421.437 where: short stacking energy: -226.517 Base-Backbone interact. energy: 4.562 local terms energy: -420.696204 where: bonds (distance) C4'-P energy: -142.039 bonds (distance) P-C4' energy: -137.461 flat angles C4'-P-C4' energy: -116.596 flat angles P-C4'-P energy: -42.378 tors. eta vs tors. theta energy: 17.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2829.291285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.291285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.291285 (E_RNA) where: Base-Base interactions energy: -1918.445 where: short stacking energy: -775.535 Base-Backbone interact. energy: -2.295 local terms energy: -908.551723 where: bonds (distance) C4'-P energy: -190.000 bonds (distance) P-C4' energy: -154.730 flat angles C4'-P-C4' energy: -185.058 flat angles P-C4'-P energy: -141.985 tors. eta vs tors. theta energy: -236.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2786.223737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.223737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.223737 (E_RNA) where: Base-Base interactions energy: -1908.261 where: short stacking energy: -834.773 Base-Backbone interact. energy: 0.794 local terms energy: -878.756315 where: bonds (distance) C4'-P energy: -151.923 bonds (distance) P-C4' energy: -154.393 flat angles C4'-P-C4' energy: -187.725 flat angles P-C4'-P energy: -130.983 tors. eta vs tors. theta energy: -253.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2633.038267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.038267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.038267 (E_RNA) where: Base-Base interactions energy: -1783.845 where: short stacking energy: -751.988 Base-Backbone interact. energy: -4.428 local terms energy: -844.765612 where: bonds (distance) C4'-P energy: -145.403 bonds (distance) P-C4' energy: -165.436 flat angles C4'-P-C4' energy: -186.060 flat angles P-C4'-P energy: -123.299 tors. eta vs tors. theta energy: -224.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2391.806713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.806713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.806713 (E_RNA) where: Base-Base interactions energy: -1611.533 where: short stacking energy: -682.250 Base-Backbone interact. energy: -2.972 local terms energy: -777.302514 where: bonds (distance) C4'-P energy: -142.527 bonds (distance) P-C4' energy: -161.904 flat angles C4'-P-C4' energy: -175.402 flat angles P-C4'-P energy: -100.789 tors. eta vs tors. theta energy: -196.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2164.654544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.654544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.654544 (E_RNA) where: Base-Base interactions energy: -1429.554 where: short stacking energy: -660.231 Base-Backbone interact. energy: -1.497 local terms energy: -733.603763 where: bonds (distance) C4'-P energy: -138.951 bonds (distance) P-C4' energy: -144.850 flat angles C4'-P-C4' energy: -168.264 flat angles P-C4'-P energy: -93.435 tors. eta vs tors. theta energy: -188.104 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: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1904.996299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.996299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.996299 (E_RNA) where: Base-Base interactions energy: -1254.172 where: short stacking energy: -554.923 Base-Backbone interact. energy: 1.618 local terms energy: -652.442414 where: bonds (distance) C4'-P energy: -139.305 bonds (distance) P-C4' energy: -159.163 flat angles C4'-P-C4' energy: -148.231 flat angles P-C4'-P energy: -90.494 tors. eta vs tors. theta energy: -115.250 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: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1651.305076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.305076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.305076 (E_RNA) where: Base-Base interactions energy: -1041.151 where: short stacking energy: -461.983 Base-Backbone interact. energy: -0.397 local terms energy: -609.757094 where: bonds (distance) C4'-P energy: -132.069 bonds (distance) P-C4' energy: -146.122 flat angles C4'-P-C4' energy: -159.050 flat angles P-C4'-P energy: -84.133 tors. eta vs tors. theta energy: -88.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1460.406782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.406782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.406782 (E_RNA) where: Base-Base interactions energy: -920.006 where: short stacking energy: -433.627 Base-Backbone interact. energy: -0.315 local terms energy: -540.085989 where: bonds (distance) C4'-P energy: -99.664 bonds (distance) P-C4' energy: -151.421 flat angles C4'-P-C4' energy: -133.313 flat angles P-C4'-P energy: -84.703 tors. eta vs tors. theta energy: -70.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -990.107393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.107393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.107393 (E_RNA) where: Base-Base interactions energy: -496.317 where: short stacking energy: -292.341 Base-Backbone interact. energy: -0.397 local terms energy: -493.393398 where: bonds (distance) C4'-P energy: -137.800 bonds (distance) P-C4' energy: -145.565 flat angles C4'-P-C4' energy: -136.271 flat angles P-C4'-P energy: -54.060 tors. eta vs tors. theta energy: -19.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -819.726745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.726745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.726745 (E_RNA) where: Base-Base interactions energy: -393.666 where: short stacking energy: -259.159 Base-Backbone interact. energy: -0.042 local terms energy: -426.019465 where: bonds (distance) C4'-P energy: -119.712 bonds (distance) P-C4' energy: -150.510 flat angles C4'-P-C4' energy: -86.234 flat angles P-C4'-P energy: -82.102 tors. eta vs tors. theta energy: 12.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2834.259119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.259119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.259119 (E_RNA) where: Base-Base interactions energy: -1939.914 where: short stacking energy: -820.170 Base-Backbone interact. energy: -6.303 local terms energy: -888.042398 where: bonds (distance) C4'-P energy: -155.147 bonds (distance) P-C4' energy: -173.765 flat angles C4'-P-C4' energy: -183.616 flat angles P-C4'-P energy: -131.292 tors. eta vs tors. theta energy: -244.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2756.362358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.362358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.362358 (E_RNA) where: Base-Base interactions energy: -1891.671 where: short stacking energy: -831.314 Base-Backbone interact. energy: -5.588 local terms energy: -859.104043 where: bonds (distance) C4'-P energy: -138.226 bonds (distance) P-C4' energy: -154.847 flat angles C4'-P-C4' energy: -195.330 flat angles P-C4'-P energy: -119.517 tors. eta vs tors. theta energy: -251.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2630.068768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.068768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.068768 (E_RNA) where: Base-Base interactions energy: -1793.051 where: short stacking energy: -748.215 Base-Backbone interact. energy: 0.434 local terms energy: -837.452429 where: bonds (distance) C4'-P energy: -148.219 bonds (distance) P-C4' energy: -161.841 flat angles C4'-P-C4' energy: -190.020 flat angles P-C4'-P energy: -124.842 tors. eta vs tors. theta energy: -212.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2434.089245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.089245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.089245 (E_RNA) where: Base-Base interactions energy: -1642.284 where: short stacking energy: -720.448 Base-Backbone interact. energy: -1.858 local terms energy: -789.948019 where: bonds (distance) C4'-P energy: -146.952 bonds (distance) P-C4' energy: -147.142 flat angles C4'-P-C4' energy: -170.212 flat angles P-C4'-P energy: -116.276 tors. eta vs tors. theta energy: -209.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2153.660073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.660073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.660073 (E_RNA) where: Base-Base interactions energy: -1399.069 where: short stacking energy: -638.937 Base-Backbone interact. energy: -1.628 local terms energy: -752.963495 where: bonds (distance) C4'-P energy: -150.501 bonds (distance) P-C4' energy: -141.863 flat angles C4'-P-C4' energy: -168.656 flat angles P-C4'-P energy: -121.045 tors. eta vs tors. theta energy: -170.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1902.043472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.043472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.043472 (E_RNA) where: Base-Base interactions energy: -1266.254 where: short stacking energy: -548.725 Base-Backbone interact. energy: -2.845 local terms energy: -632.944564 where: bonds (distance) C4'-P energy: -141.695 bonds (distance) P-C4' energy: -121.757 flat angles C4'-P-C4' energy: -152.805 flat angles P-C4'-P energy: -100.666 tors. eta vs tors. theta energy: -116.022 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: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1650.003558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.003558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.003558 (E_RNA) where: Base-Base interactions energy: -1014.901 where: short stacking energy: -452.111 Base-Backbone interact. energy: -3.254 local terms energy: -631.849374 where: bonds (distance) C4'-P energy: -152.160 bonds (distance) P-C4' energy: -144.653 flat angles C4'-P-C4' energy: -148.385 flat angles P-C4'-P energy: -87.492 tors. eta vs tors. theta energy: -99.160 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: 4 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1459.103445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.103445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.103445 (E_RNA) where: Base-Base interactions energy: -856.711 where: short stacking energy: -429.940 Base-Backbone interact. energy: -2.632 local terms energy: -599.760655 where: bonds (distance) C4'-P energy: -157.481 bonds (distance) P-C4' energy: -147.691 flat angles C4'-P-C4' energy: -120.798 flat angles P-C4'-P energy: -84.797 tors. eta vs tors. theta energy: -88.993 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: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1008.153309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.153309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.153309 (E_RNA) where: Base-Base interactions energy: -537.881 where: short stacking energy: -275.971 Base-Backbone interact. energy: -2.705 local terms energy: -467.567377 where: bonds (distance) C4'-P energy: -115.210 bonds (distance) P-C4' energy: -135.462 flat angles C4'-P-C4' energy: -127.416 flat angles P-C4'-P energy: -76.801 tors. eta vs tors. theta energy: -12.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -828.113587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.113587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.113587 (E_RNA) where: Base-Base interactions energy: -387.221 where: short stacking energy: -231.410 Base-Backbone interact. energy: 7.302 local terms energy: -448.194445 where: bonds (distance) C4'-P energy: -136.086 bonds (distance) P-C4' energy: -137.421 flat angles C4'-P-C4' energy: -107.238 flat angles P-C4'-P energy: -72.326 tors. eta vs tors. theta energy: 4.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2851.813735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.813735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.813735 (E_RNA) where: Base-Base interactions energy: -1952.947 where: short stacking energy: -824.717 Base-Backbone interact. energy: -2.506 local terms energy: -896.361069 where: bonds (distance) C4'-P energy: -168.089 bonds (distance) P-C4' energy: -165.175 flat angles C4'-P-C4' energy: -177.920 flat angles P-C4'-P energy: -135.789 tors. eta vs tors. theta energy: -249.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2710.607614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.607614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.607614 (E_RNA) where: Base-Base interactions energy: -1857.000 where: short stacking energy: -819.318 Base-Backbone interact. energy: 0.261 local terms energy: -853.869116 where: bonds (distance) C4'-P energy: -145.705 bonds (distance) P-C4' energy: -153.837 flat angles C4'-P-C4' energy: -192.594 flat angles P-C4'-P energy: -114.008 tors. eta vs tors. theta energy: -247.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2605.528121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.528121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.528121 (E_RNA) where: Base-Base interactions energy: -1791.822 where: short stacking energy: -740.854 Base-Backbone interact. energy: -2.866 local terms energy: -810.839937 where: bonds (distance) C4'-P energy: -150.371 bonds (distance) P-C4' energy: -159.677 flat angles C4'-P-C4' energy: -164.090 flat angles P-C4'-P energy: -118.541 tors. eta vs tors. theta energy: -218.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2401.862239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.862239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.862239 (E_RNA) where: Base-Base interactions energy: -1633.353 where: short stacking energy: -697.640 Base-Backbone interact. energy: -1.115 local terms energy: -767.394095 where: bonds (distance) C4'-P energy: -149.355 bonds (distance) P-C4' energy: -144.786 flat angles C4'-P-C4' energy: -169.800 flat angles P-C4'-P energy: -114.705 tors. eta vs tors. theta energy: -188.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2142.072600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.072600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.072600 (E_RNA) where: Base-Base interactions energy: -1440.206 where: short stacking energy: -600.054 Base-Backbone interact. energy: -3.446 local terms energy: -698.420378 where: bonds (distance) C4'-P energy: -134.461 bonds (distance) P-C4' energy: -147.652 flat angles C4'-P-C4' energy: -178.972 flat angles P-C4'-P energy: -84.010 tors. eta vs tors. theta energy: -153.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1863.171421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.171421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.171421 (E_RNA) where: Base-Base interactions energy: -1181.583 where: short stacking energy: -530.722 Base-Backbone interact. energy: -3.783 local terms energy: -677.805118 where: bonds (distance) C4'-P energy: -145.629 bonds (distance) P-C4' energy: -150.633 flat angles C4'-P-C4' energy: -161.880 flat angles P-C4'-P energy: -99.680 tors. eta vs tors. theta energy: -119.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1604.855484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.855484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.855484 (E_RNA) where: Base-Base interactions energy: -999.628 where: short stacking energy: -480.100 Base-Backbone interact. energy: 2.448 local terms energy: -607.676026 where: bonds (distance) C4'-P energy: -118.992 bonds (distance) P-C4' energy: -160.434 flat angles C4'-P-C4' energy: -146.271 flat angles P-C4'-P energy: -88.984 tors. eta vs tors. theta energy: -92.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1268.579260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.579260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.579260 (E_RNA) where: Base-Base interactions energy: -725.773 where: short stacking energy: -347.029 Base-Backbone interact. energy: -0.511 local terms energy: -542.294711 where: bonds (distance) C4'-P energy: -126.490 bonds (distance) P-C4' energy: -153.308 flat angles C4'-P-C4' energy: -134.422 flat angles P-C4'-P energy: -87.260 tors. eta vs tors. theta energy: -40.815 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: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -976.492300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.492300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.492300 (E_RNA) where: Base-Base interactions energy: -526.930 where: short stacking energy: -249.089 Base-Backbone interact. energy: 1.662 local terms energy: -451.224212 where: bonds (distance) C4'-P energy: -144.111 bonds (distance) P-C4' energy: -137.609 flat angles C4'-P-C4' energy: -111.692 flat angles P-C4'-P energy: -55.252 tors. eta vs tors. theta energy: -2.561 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: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -805.885089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.885089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.885089 (E_RNA) where: Base-Base interactions energy: -379.855 where: short stacking energy: -199.673 Base-Backbone interact. energy: 8.143 local terms energy: -434.173361 where: bonds (distance) C4'-P energy: -139.392 bonds (distance) P-C4' energy: -120.098 flat angles C4'-P-C4' energy: -114.036 flat angles P-C4'-P energy: -77.873 tors. eta vs tors. theta energy: 17.225 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: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2821.448446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.448446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.448446 (E_RNA) where: Base-Base interactions energy: -1908.504 where: short stacking energy: -793.873 Base-Backbone interact. energy: -2.389 local terms energy: -910.555963 where: bonds (distance) C4'-P energy: -173.694 bonds (distance) P-C4' energy: -175.988 flat angles C4'-P-C4' energy: -190.027 flat angles P-C4'-P energy: -124.247 tors. eta vs tors. theta energy: -246.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2719.270487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.270487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.270487 (E_RNA) where: Base-Base interactions energy: -1855.637 where: short stacking energy: -809.847 Base-Backbone interact. energy: -1.395 local terms energy: -862.237717 where: bonds (distance) C4'-P energy: -152.710 bonds (distance) P-C4' energy: -169.650 flat angles C4'-P-C4' energy: -188.059 flat angles P-C4'-P energy: -118.657 tors. eta vs tors. theta energy: -233.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2576.399377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.399377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.399377 (E_RNA) where: Base-Base interactions energy: -1762.876 where: short stacking energy: -728.102 Base-Backbone interact. energy: -4.799 local terms energy: -808.723665 where: bonds (distance) C4'-P energy: -145.261 bonds (distance) P-C4' energy: -145.664 flat angles C4'-P-C4' energy: -175.916 flat angles P-C4'-P energy: -117.804 tors. eta vs tors. theta energy: -224.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2399.966850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.966850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.966850 (E_RNA) where: Base-Base interactions energy: -1613.756 where: short stacking energy: -724.362 Base-Backbone interact. energy: -2.449 local terms energy: -783.761860 where: bonds (distance) C4'-P energy: -158.856 bonds (distance) P-C4' energy: -136.155 flat angles C4'-P-C4' energy: -169.989 flat angles P-C4'-P energy: -120.489 tors. eta vs tors. theta energy: -198.272 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: 230 Temperature: 1.100000 Total energy: -2196.168528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.168528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.168528 (E_RNA) where: Base-Base interactions energy: -1459.727 where: short stacking energy: -620.197 Base-Backbone interact. energy: -2.651 local terms energy: -733.790816 where: bonds (distance) C4'-P energy: -150.928 bonds (distance) P-C4' energy: -148.127 flat angles C4'-P-C4' energy: -160.668 flat angles P-C4'-P energy: -96.266 tors. eta vs tors. theta energy: -177.802 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: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1861.862905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.862905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.862905 (E_RNA) where: Base-Base interactions energy: -1200.283 where: short stacking energy: -583.608 Base-Backbone interact. energy: -0.996 local terms energy: -660.583947 where: bonds (distance) C4'-P energy: -129.121 bonds (distance) P-C4' energy: -147.781 flat angles C4'-P-C4' energy: -171.769 flat angles P-C4'-P energy: -76.008 tors. eta vs tors. theta energy: -135.905 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: 7, replica: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1641.362555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.362555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.362555 (E_RNA) where: Base-Base interactions energy: -1021.880 where: short stacking energy: -479.378 Base-Backbone interact. energy: 0.311 local terms energy: -619.793102 where: bonds (distance) C4'-P energy: -150.037 bonds (distance) P-C4' energy: -146.744 flat angles C4'-P-C4' energy: -139.928 flat angles P-C4'-P energy: -83.898 tors. eta vs tors. theta energy: -99.187 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: 4 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1231.641950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.641950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.641950 (E_RNA) where: Base-Base interactions energy: -705.452 where: short stacking energy: -362.047 Base-Backbone interact. energy: 0.114 local terms energy: -526.303449 where: bonds (distance) C4'-P energy: -121.540 bonds (distance) P-C4' energy: -141.220 flat angles C4'-P-C4' energy: -139.752 flat angles P-C4'-P energy: -73.492 tors. eta vs tors. theta energy: -50.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1024.705775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.705775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.705775 (E_RNA) where: Base-Base interactions energy: -573.011 where: short stacking energy: -320.639 Base-Backbone interact. energy: -0.045 local terms energy: -451.650403 where: bonds (distance) C4'-P energy: -108.226 bonds (distance) P-C4' energy: -121.343 flat angles C4'-P-C4' energy: -133.092 flat angles P-C4'-P energy: -73.496 tors. eta vs tors. theta energy: -15.493 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: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -737.891284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.891284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.891284 (E_RNA) where: Base-Base interactions energy: -334.170 where: short stacking energy: -204.424 Base-Backbone interact. energy: 6.338 local terms energy: -410.059528 where: bonds (distance) C4'-P energy: -124.458 bonds (distance) P-C4' energy: -152.613 flat angles C4'-P-C4' energy: -112.001 flat angles P-C4'-P energy: -63.760 tors. eta vs tors. theta energy: 42.772 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: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2856.047532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.047532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.047532 (E_RNA) where: Base-Base interactions energy: -1983.818 where: short stacking energy: -860.105 Base-Backbone interact. energy: -5.126 local terms energy: -867.102880 where: bonds (distance) C4'-P energy: -150.744 bonds (distance) P-C4' energy: -158.334 flat angles C4'-P-C4' energy: -191.067 flat angles P-C4'-P energy: -119.732 tors. eta vs tors. theta energy: -247.226 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: 1 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2720.199017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.199017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.199017 (E_RNA) where: Base-Base interactions energy: -1864.351 where: short stacking energy: -793.955 Base-Backbone interact. energy: 2.286 local terms energy: -858.133326 where: bonds (distance) C4'-P energy: -154.912 bonds (distance) P-C4' energy: -154.034 flat angles C4'-P-C4' energy: -196.037 flat angles P-C4'-P energy: -124.058 tors. eta vs tors. theta energy: -229.093 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: 3, replica: 7 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2578.719818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.719818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.719818 (E_RNA) where: Base-Base interactions energy: -1754.274 where: short stacking energy: -738.999 Base-Backbone interact. energy: -4.927 local terms energy: -819.518437 where: bonds (distance) C4'-P energy: -160.252 bonds (distance) P-C4' energy: -162.510 flat angles C4'-P-C4' energy: -176.955 flat angles P-C4'-P energy: -118.653 tors. eta vs tors. theta energy: -201.148 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: 4, replica: 10 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2425.689646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.689646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.689646 (E_RNA) where: Base-Base interactions energy: -1631.032 where: short stacking energy: -720.857 Base-Backbone interact. energy: -2.972 local terms energy: -791.686560 where: bonds (distance) C4'-P energy: -152.100 bonds (distance) P-C4' energy: -160.828 flat angles C4'-P-C4' energy: -162.262 flat angles P-C4'-P energy: -106.402 tors. eta vs tors. theta energy: -210.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2260.524213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.524213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.524213 (E_RNA) where: Base-Base interactions energy: -1522.127 where: short stacking energy: -656.304 Base-Backbone interact. energy: 3.238 local terms energy: -741.634468 where: bonds (distance) C4'-P energy: -145.927 bonds (distance) P-C4' energy: -157.771 flat angles C4'-P-C4' energy: -171.330 flat angles P-C4'-P energy: -79.804 tors. eta vs tors. theta energy: -186.802 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: 5 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1844.800598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.800598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.800598 (E_RNA) where: Base-Base interactions energy: -1155.936 where: short stacking energy: -537.037 Base-Backbone interact. energy: -3.475 local terms energy: -685.390071 where: bonds (distance) C4'-P energy: -133.386 bonds (distance) P-C4' energy: -159.093 flat angles C4'-P-C4' energy: -167.416 flat angles P-C4'-P energy: -104.436 tors. eta vs tors. theta energy: -121.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1633.812951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.812951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.812951 (E_RNA) where: Base-Base interactions energy: -1013.354 where: short stacking energy: -482.471 Base-Backbone interact. energy: -3.729 local terms energy: -616.730109 where: bonds (distance) C4'-P energy: -135.983 bonds (distance) P-C4' energy: -146.329 flat angles C4'-P-C4' energy: -137.490 flat angles P-C4'-P energy: -99.805 tors. eta vs tors. theta energy: -97.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1364.969388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.969388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.969388 (E_RNA) where: Base-Base interactions energy: -832.823 where: short stacking energy: -398.499 Base-Backbone interact. energy: 4.913 local terms energy: -537.059312 where: bonds (distance) C4'-P energy: -117.460 bonds (distance) P-C4' energy: -132.751 flat angles C4'-P-C4' energy: -132.314 flat angles P-C4'-P energy: -93.203 tors. eta vs tors. theta energy: -61.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1010.777833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.777833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.777833 (E_RNA) where: Base-Base interactions energy: -537.782 where: short stacking energy: -286.286 Base-Backbone interact. energy: -0.264 local terms energy: -472.731338 where: bonds (distance) C4'-P energy: -128.978 bonds (distance) P-C4' energy: -150.546 flat angles C4'-P-C4' energy: -108.401 flat angles P-C4'-P energy: -70.261 tors. eta vs tors. theta energy: -14.545 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: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -747.159004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.159004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.159004 (E_RNA) where: Base-Base interactions energy: -312.202 where: short stacking energy: -197.106 Base-Backbone interact. energy: 3.556 local terms energy: -438.513468 where: bonds (distance) C4'-P energy: -155.576 bonds (distance) P-C4' energy: -119.261 flat angles C4'-P-C4' energy: -105.067 flat angles P-C4'-P energy: -80.935 tors. eta vs tors. theta energy: 22.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2847.122562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.122562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.122562 (E_RNA) where: Base-Base interactions energy: -1935.336 where: short stacking energy: -822.600 Base-Backbone interact. energy: -5.009 local terms energy: -906.777493 where: bonds (distance) C4'-P energy: -167.217 bonds (distance) P-C4' energy: -175.873 flat angles C4'-P-C4' energy: -191.240 flat angles P-C4'-P energy: -129.506 tors. eta vs tors. theta energy: -242.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2772.249997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.249997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.249997 (E_RNA) where: Base-Base interactions energy: -1897.764 where: short stacking energy: -807.152 Base-Backbone interact. energy: -2.231 local terms energy: -872.254929 where: bonds (distance) C4'-P energy: -164.144 bonds (distance) P-C4' energy: -160.281 flat angles C4'-P-C4' energy: -183.909 flat angles P-C4'-P energy: -129.021 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: 3, replica: 7 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2576.341713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.341713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.341713 (E_RNA) where: Base-Base interactions energy: -1789.007 where: short stacking energy: -742.561 Base-Backbone interact. energy: -2.725 local terms energy: -784.609822 where: bonds (distance) C4'-P energy: -147.525 bonds (distance) P-C4' energy: -151.275 flat angles C4'-P-C4' energy: -189.837 flat angles P-C4'-P energy: -104.369 tors. eta vs tors. theta energy: -191.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2389.990623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.990623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.990623 (E_RNA) where: Base-Base interactions energy: -1586.145 where: short stacking energy: -685.166 Base-Backbone interact. energy: -0.393 local terms energy: -803.452246 where: bonds (distance) C4'-P energy: -151.604 bonds (distance) P-C4' energy: -154.587 flat angles C4'-P-C4' energy: -180.378 flat angles P-C4'-P energy: -127.125 tors. eta vs tors. theta energy: -189.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2293.225850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.225850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.225850 (E_RNA) where: Base-Base interactions energy: -1561.405 where: short stacking energy: -644.444 Base-Backbone interact. energy: 0.062 local terms energy: -731.882992 where: bonds (distance) C4'-P energy: -148.246 bonds (distance) P-C4' energy: -143.660 flat angles C4'-P-C4' energy: -167.456 flat angles P-C4'-P energy: -82.399 tors. eta vs tors. theta energy: -190.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1801.027652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.027652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.027652 (E_RNA) where: Base-Base interactions energy: -1158.660 where: short stacking energy: -537.771 Base-Backbone interact. energy: -1.629 local terms energy: -640.738843 where: bonds (distance) C4'-P energy: -147.791 bonds (distance) P-C4' energy: -133.673 flat angles C4'-P-C4' energy: -152.961 flat angles P-C4'-P energy: -84.115 tors. eta vs tors. theta energy: -122.198 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: 232 Temperature: 1.200000 Total energy: -1705.467396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.467396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.467396 (E_RNA) where: Base-Base interactions energy: -1091.803 where: short stacking energy: -507.992 Base-Backbone interact. energy: 5.274 local terms energy: -618.938575 where: bonds (distance) C4'-P energy: -144.634 bonds (distance) P-C4' energy: -152.221 flat angles C4'-P-C4' energy: -144.405 flat angles P-C4'-P energy: -69.092 tors. eta vs tors. theta energy: -108.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1340.697071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.697071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.697071 (E_RNA) where: Base-Base interactions energy: -802.592 where: short stacking energy: -383.925 Base-Backbone interact. energy: -5.332 local terms energy: -532.773792 where: bonds (distance) C4'-P energy: -131.928 bonds (distance) P-C4' energy: -149.208 flat angles C4'-P-C4' energy: -121.224 flat angles P-C4'-P energy: -74.274 tors. eta vs tors. theta energy: -56.140 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: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1082.253296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.253296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.253296 (E_RNA) where: Base-Base interactions energy: -566.684 where: short stacking energy: -304.027 Base-Backbone interact. energy: 1.797 local terms energy: -517.366334 where: bonds (distance) C4'-P energy: -133.781 bonds (distance) P-C4' energy: -153.844 flat angles C4'-P-C4' energy: -124.104 flat angles P-C4'-P energy: -66.142 tors. eta vs tors. theta energy: -39.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -719.131950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.131950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.131950 (E_RNA) where: Base-Base interactions energy: -280.335 where: short stacking energy: -182.882 Base-Backbone interact. energy: -4.640 local terms energy: -434.157452 where: bonds (distance) C4'-P energy: -135.234 bonds (distance) P-C4' energy: -136.375 flat angles C4'-P-C4' energy: -112.389 flat angles P-C4'-P energy: -71.634 tors. eta vs tors. theta energy: 21.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2824.244703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.244703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.244703 (E_RNA) where: Base-Base interactions energy: -1912.182 where: short stacking energy: -822.440 Base-Backbone interact. energy: -5.746 local terms energy: -906.317095 where: bonds (distance) C4'-P energy: -159.083 bonds (distance) P-C4' energy: -183.810 flat angles C4'-P-C4' energy: -183.225 flat angles P-C4'-P energy: -130.110 tors. eta vs tors. theta energy: -250.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2737.841331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.841331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.841331 (E_RNA) where: Base-Base interactions energy: -1860.890 where: short stacking energy: -799.754 Base-Backbone interact. energy: -4.651 local terms energy: -872.299567 where: bonds (distance) C4'-P energy: -173.968 bonds (distance) P-C4' energy: -156.865 flat angles C4'-P-C4' energy: -183.437 flat angles P-C4'-P energy: -115.532 tors. eta vs tors. theta energy: -242.499 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: 7 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2640.031948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.031948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.031948 (E_RNA) where: Base-Base interactions energy: -1798.643 where: short stacking energy: -742.218 Base-Backbone interact. energy: -4.980 local terms energy: -836.408958 where: bonds (distance) C4'-P energy: -156.439 bonds (distance) P-C4' energy: -164.668 flat angles C4'-P-C4' energy: -165.738 flat angles P-C4'-P energy: -135.738 tors. eta vs tors. theta energy: -213.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2440.777377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.777377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.777377 (E_RNA) where: Base-Base interactions energy: -1661.112 where: short stacking energy: -717.052 Base-Backbone interact. energy: 1.027 local terms energy: -780.692705 where: bonds (distance) C4'-P energy: -147.281 bonds (distance) P-C4' energy: -167.051 flat angles C4'-P-C4' energy: -160.525 flat angles P-C4'-P energy: -104.281 tors. eta vs tors. theta energy: -201.555 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: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2197.994514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.994514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.994514 (E_RNA) where: Base-Base interactions energy: -1499.395 where: short stacking energy: -635.420 Base-Backbone interact. energy: -0.660 local terms energy: -697.939652 where: bonds (distance) C4'-P energy: -148.541 bonds (distance) P-C4' energy: -148.189 flat angles C4'-P-C4' energy: -149.903 flat angles P-C4'-P energy: -102.468 tors. eta vs tors. theta energy: -148.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1873.811594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.811594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.811594 (E_RNA) where: Base-Base interactions energy: -1182.603 where: short stacking energy: -571.455 Base-Backbone interact. energy: -2.670 local terms energy: -688.539078 where: bonds (distance) C4'-P energy: -147.499 bonds (distance) P-C4' energy: -124.221 flat angles C4'-P-C4' energy: -154.661 flat angles P-C4'-P energy: -105.646 tors. eta vs tors. theta energy: -156.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1643.467521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.467521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.467521 (E_RNA) where: Base-Base interactions energy: -1039.289 where: short stacking energy: -488.296 Base-Backbone interact. energy: -1.092 local terms energy: -603.086740 where: bonds (distance) C4'-P energy: -123.426 bonds (distance) P-C4' energy: -124.921 flat angles C4'-P-C4' energy: -150.930 flat angles P-C4'-P energy: -93.725 tors. eta vs tors. theta energy: -110.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1390.796954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.796954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.796954 (E_RNA) where: Base-Base interactions energy: -845.649 where: short stacking energy: -377.964 Base-Backbone interact. energy: -1.790 local terms energy: -543.358136 where: bonds (distance) C4'-P energy: -141.241 bonds (distance) P-C4' energy: -139.153 flat angles C4'-P-C4' energy: -132.522 flat angles P-C4'-P energy: -79.436 tors. eta vs tors. theta energy: -51.007 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: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1031.078323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.078323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.078323 (E_RNA) where: Base-Base interactions energy: -560.216 where: short stacking energy: -287.929 Base-Backbone interact. energy: 0.552 local terms energy: -471.413778 where: bonds (distance) C4'-P energy: -116.839 bonds (distance) P-C4' energy: -148.673 flat angles C4'-P-C4' energy: -116.884 flat angles P-C4'-P energy: -61.571 tors. eta vs tors. theta energy: -27.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -754.145261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.145261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.145261 (E_RNA) where: Base-Base interactions energy: -344.221 where: short stacking energy: -239.516 Base-Backbone interact. energy: 6.420 local terms energy: -416.344618 where: bonds (distance) C4'-P energy: -121.189 bonds (distance) P-C4' energy: -120.935 flat angles C4'-P-C4' energy: -110.967 flat angles P-C4'-P energy: -66.265 tors. eta vs tors. theta energy: 3.012 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: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2778.386903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.386903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.386903 (E_RNA) where: Base-Base interactions energy: -1909.732 where: short stacking energy: -805.412 Base-Backbone interact. energy: -3.740 local terms energy: -864.914498 where: bonds (distance) C4'-P energy: -137.699 bonds (distance) P-C4' energy: -183.574 flat angles C4'-P-C4' energy: -190.886 flat angles P-C4'-P energy: -112.023 tors. eta vs tors. theta energy: -240.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2750.096222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.096222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.096222 (E_RNA) where: Base-Base interactions energy: -1879.367 where: short stacking energy: -812.757 Base-Backbone interact. energy: 2.578 local terms energy: -873.306878 where: bonds (distance) C4'-P energy: -167.629 bonds (distance) P-C4' energy: -169.770 flat angles C4'-P-C4' energy: -179.204 flat angles P-C4'-P energy: -123.424 tors. eta vs tors. theta energy: -233.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2637.690912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.690912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.690912 (E_RNA) where: Base-Base interactions energy: -1815.759 where: short stacking energy: -753.433 Base-Backbone interact. energy: -0.725 local terms energy: -821.206213 where: bonds (distance) C4'-P energy: -158.385 bonds (distance) P-C4' energy: -147.879 flat angles C4'-P-C4' energy: -177.402 flat angles P-C4'-P energy: -131.531 tors. eta vs tors. theta energy: -206.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2467.440618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.440618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.440618 (E_RNA) where: Base-Base interactions energy: -1644.234 where: short stacking energy: -696.659 Base-Backbone interact. energy: -1.297 local terms energy: -821.909582 where: bonds (distance) C4'-P energy: -163.208 bonds (distance) P-C4' energy: -163.384 flat angles C4'-P-C4' energy: -171.268 flat angles P-C4'-P energy: -120.636 tors. eta vs tors. theta energy: -203.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2160.693798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.693798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.693798 (E_RNA) where: Base-Base interactions energy: -1463.574 where: short stacking energy: -638.871 Base-Backbone interact. energy: -0.352 local terms energy: -696.767368 where: bonds (distance) C4'-P energy: -141.262 bonds (distance) P-C4' energy: -133.216 flat angles C4'-P-C4' energy: -156.927 flat angles P-C4'-P energy: -105.340 tors. eta vs tors. theta energy: -160.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1792.828620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.828620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.828620 (E_RNA) where: Base-Base interactions energy: -1155.470 where: short stacking energy: -543.817 Base-Backbone interact. energy: 2.492 local terms energy: -639.849687 where: bonds (distance) C4'-P energy: -132.710 bonds (distance) P-C4' energy: -145.113 flat angles C4'-P-C4' energy: -144.353 flat angles P-C4'-P energy: -88.907 tors. eta vs tors. theta energy: -128.766 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: 7, replica: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1614.631987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.631987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.631987 (E_RNA) where: Base-Base interactions energy: -1019.897 where: short stacking energy: -459.548 Base-Backbone interact. energy: -2.462 local terms energy: -592.272409 where: bonds (distance) C4'-P energy: -115.917 bonds (distance) P-C4' energy: -145.569 flat angles C4'-P-C4' energy: -148.587 flat angles P-C4'-P energy: -99.772 tors. eta vs tors. theta energy: -82.427 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: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1379.980634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.980634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.980634 (E_RNA) where: Base-Base interactions energy: -844.959 where: short stacking energy: -371.159 Base-Backbone interact. energy: -2.612 local terms energy: -532.410124 where: bonds (distance) C4'-P energy: -129.270 bonds (distance) P-C4' energy: -154.220 flat angles C4'-P-C4' energy: -137.152 flat angles P-C4'-P energy: -56.045 tors. eta vs tors. theta energy: -55.724 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: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1012.749294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.749294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.749294 (E_RNA) where: Base-Base interactions energy: -523.096 where: short stacking energy: -283.957 Base-Backbone interact. energy: 2.474 local terms energy: -492.126495 where: bonds (distance) C4'-P energy: -132.671 bonds (distance) P-C4' energy: -126.467 flat angles C4'-P-C4' energy: -134.542 flat angles P-C4'-P energy: -82.502 tors. eta vs tors. theta energy: -15.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -767.019078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.019078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.019078 (E_RNA) where: Base-Base interactions energy: -332.858 where: short stacking energy: -219.763 Base-Backbone interact. energy: 1.260 local terms energy: -435.420729 where: bonds (distance) C4'-P energy: -135.945 bonds (distance) P-C4' energy: -141.205 flat angles C4'-P-C4' energy: -114.040 flat angles P-C4'-P energy: -64.171 tors. eta vs tors. theta energy: 19.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2820.354013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.354013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.354013 (E_RNA) where: Base-Base interactions energy: -1942.013 where: short stacking energy: -784.556 Base-Backbone interact. energy: -3.743 local terms energy: -874.597038 where: bonds (distance) C4'-P energy: -165.486 bonds (distance) P-C4' energy: -160.046 flat angles C4'-P-C4' energy: -190.426 flat angles P-C4'-P energy: -127.659 tors. eta vs tors. theta energy: -230.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2734.247771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.247771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.247771 (E_RNA) where: Base-Base interactions energy: -1872.884 where: short stacking energy: -782.385 Base-Backbone interact. energy: -2.893 local terms energy: -858.471448 where: bonds (distance) C4'-P energy: -160.062 bonds (distance) P-C4' energy: -155.336 flat angles C4'-P-C4' energy: -184.312 flat angles P-C4'-P energy: -132.833 tors. eta vs tors. theta energy: -225.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2697.618322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.618322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.618322 (E_RNA) where: Base-Base interactions energy: -1899.809 where: short stacking energy: -794.276 Base-Backbone interact. energy: -2.800 local terms energy: -795.009330 where: bonds (distance) C4'-P energy: -152.398 bonds (distance) P-C4' energy: -149.871 flat angles C4'-P-C4' energy: -149.465 flat angles P-C4'-P energy: -114.720 tors. eta vs tors. theta energy: -228.555 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: 10 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2426.544701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.544701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.544701 (E_RNA) where: Base-Base interactions energy: -1653.324 where: short stacking energy: -705.784 Base-Backbone interact. energy: -3.892 local terms energy: -769.329121 where: bonds (distance) C4'-P energy: -134.820 bonds (distance) P-C4' energy: -145.644 flat angles C4'-P-C4' energy: -176.551 flat angles P-C4'-P energy: -100.732 tors. eta vs tors. theta energy: -211.582 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: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2204.305135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.305135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.305135 (E_RNA) where: Base-Base interactions energy: -1509.009 where: short stacking energy: -634.484 Base-Backbone interact. energy: -4.102 local terms energy: -691.194147 where: bonds (distance) C4'-P energy: -121.183 bonds (distance) P-C4' energy: -160.177 flat angles C4'-P-C4' energy: -152.049 flat angles P-C4'-P energy: -96.159 tors. eta vs tors. theta energy: -161.627 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: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1761.982670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.982670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.982670 (E_RNA) where: Base-Base interactions energy: -1141.538 where: short stacking energy: -553.159 Base-Backbone interact. energy: 2.743 local terms energy: -623.187607 where: bonds (distance) C4'-P energy: -131.663 bonds (distance) P-C4' energy: -135.211 flat angles C4'-P-C4' energy: -161.739 flat angles P-C4'-P energy: -91.032 tors. eta vs tors. theta energy: -103.542 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: 235 Temperature: 1.200000 Total energy: -1597.946107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.946107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.946107 (E_RNA) where: Base-Base interactions energy: -978.101 where: short stacking energy: -463.859 Base-Backbone interact. energy: -1.977 local terms energy: -617.867791 where: bonds (distance) C4'-P energy: -137.117 bonds (distance) P-C4' energy: -143.348 flat angles C4'-P-C4' energy: -144.841 flat angles P-C4'-P energy: -91.654 tors. eta vs tors. theta energy: -100.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1353.924909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.924909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.924909 (E_RNA) where: Base-Base interactions energy: -805.714 where: short stacking energy: -393.824 Base-Backbone interact. energy: -2.104 local terms energy: -546.106294 where: bonds (distance) C4'-P energy: -146.942 bonds (distance) P-C4' energy: -137.667 flat angles C4'-P-C4' energy: -126.233 flat angles P-C4'-P energy: -73.267 tors. eta vs tors. theta energy: -61.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -996.408639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.408639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.408639 (E_RNA) where: Base-Base interactions energy: -524.771 where: short stacking energy: -273.778 Base-Backbone interact. energy: 3.096 local terms energy: -474.734074 where: bonds (distance) C4'-P energy: -111.876 bonds (distance) P-C4' energy: -156.084 flat angles C4'-P-C4' energy: -121.267 flat angles P-C4'-P energy: -78.309 tors. eta vs tors. theta energy: -7.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -848.941413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.941413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.941413 (E_RNA) where: Base-Base interactions energy: -385.577 where: short stacking energy: -208.359 Base-Backbone interact. energy: 1.509 local terms energy: -464.872608 where: bonds (distance) C4'-P energy: -127.749 bonds (distance) P-C4' energy: -147.256 flat angles C4'-P-C4' energy: -119.647 flat angles P-C4'-P energy: -95.733 tors. eta vs tors. theta energy: 25.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2868.845112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.845112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.845112 (E_RNA) where: Base-Base interactions energy: -1988.169 where: short stacking energy: -824.768 Base-Backbone interact. energy: -2.355 local terms energy: -878.321368 where: bonds (distance) C4'-P energy: -156.527 bonds (distance) P-C4' energy: -174.351 flat angles C4'-P-C4' energy: -186.326 flat angles P-C4'-P energy: -121.270 tors. eta vs tors. theta energy: -239.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2726.222672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.222672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.222672 (E_RNA) where: Base-Base interactions energy: -1870.440 where: short stacking energy: -797.897 Base-Backbone interact. energy: -2.088 local terms energy: -853.694496 where: bonds (distance) C4'-P energy: -159.198 bonds (distance) P-C4' energy: -165.322 flat angles C4'-P-C4' energy: -192.831 flat angles P-C4'-P energy: -113.456 tors. eta vs tors. theta energy: -222.888 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: 3, replica: 7 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2704.195213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.195213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.195213 (E_RNA) where: Base-Base interactions energy: -1866.368 where: short stacking energy: -797.022 Base-Backbone interact. energy: -3.554 local terms energy: -834.272543 where: bonds (distance) C4'-P energy: -156.157 bonds (distance) P-C4' energy: -149.963 flat angles C4'-P-C4' energy: -176.439 flat angles P-C4'-P energy: -121.822 tors. eta vs tors. theta energy: -229.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2463.037711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.037711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.037711 (E_RNA) where: Base-Base interactions energy: -1684.211 where: short stacking energy: -730.170 Base-Backbone interact. energy: -2.744 local terms energy: -776.083147 where: bonds (distance) C4'-P energy: -136.378 bonds (distance) P-C4' energy: -157.186 flat angles C4'-P-C4' energy: -166.767 flat angles P-C4'-P energy: -111.199 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: 5, replica: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2156.945786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.945786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.945786 (E_RNA) where: Base-Base interactions energy: -1463.152 where: short stacking energy: -623.847 Base-Backbone interact. energy: -1.101 local terms energy: -692.692315 where: bonds (distance) C4'-P energy: -136.599 bonds (distance) P-C4' energy: -161.165 flat angles C4'-P-C4' energy: -150.082 flat angles P-C4'-P energy: -104.699 tors. eta vs tors. theta energy: -140.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1747.019354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.019354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.019354 (E_RNA) where: Base-Base interactions energy: -1125.804 where: short stacking energy: -514.342 Base-Backbone interact. energy: -3.331 local terms energy: -617.884577 where: bonds (distance) C4'-P energy: -125.539 bonds (distance) P-C4' energy: -151.103 flat angles C4'-P-C4' energy: -131.343 flat angles P-C4'-P energy: -95.916 tors. eta vs tors. theta energy: -113.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1595.040024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.040024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.040024 (E_RNA) where: Base-Base interactions energy: -993.746 where: short stacking energy: -451.692 Base-Backbone interact. energy: -1.251 local terms energy: -600.043488 where: bonds (distance) C4'-P energy: -136.631 bonds (distance) P-C4' energy: -154.893 flat angles C4'-P-C4' energy: -158.542 flat angles P-C4'-P energy: -68.343 tors. eta vs tors. theta energy: -81.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1365.170488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.170488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.170488 (E_RNA) where: Base-Base interactions energy: -827.802 where: short stacking energy: -426.255 Base-Backbone interact. energy: 2.360 local terms energy: -539.727824 where: bonds (distance) C4'-P energy: -129.432 bonds (distance) P-C4' energy: -139.823 flat angles C4'-P-C4' energy: -132.557 flat angles P-C4'-P energy: -76.360 tors. eta vs tors. theta energy: -61.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1012.407975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.407975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.407975 (E_RNA) where: Base-Base interactions energy: -528.297 where: short stacking energy: -283.754 Base-Backbone interact. energy: 1.089 local terms energy: -485.200306 where: bonds (distance) C4'-P energy: -146.544 bonds (distance) P-C4' energy: -130.926 flat angles C4'-P-C4' energy: -125.483 flat angles P-C4'-P energy: -75.109 tors. eta vs tors. theta energy: -7.138 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: 10, replica: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -769.513685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.513685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.513685 (E_RNA) where: Base-Base interactions energy: -318.080 where: short stacking energy: -210.918 Base-Backbone interact. energy: 3.198 local terms energy: -454.631922 where: bonds (distance) C4'-P energy: -147.289 bonds (distance) P-C4' energy: -149.105 flat angles C4'-P-C4' energy: -124.182 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: 33.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2832.367215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.367215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.367215 (E_RNA) where: Base-Base interactions energy: -1952.055 where: short stacking energy: -796.788 Base-Backbone interact. energy: -8.312 local terms energy: -871.999765 where: bonds (distance) C4'-P energy: -154.393 bonds (distance) P-C4' energy: -167.058 flat angles C4'-P-C4' energy: -191.622 flat angles P-C4'-P energy: -119.086 tors. eta vs tors. theta energy: -239.840 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: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2725.337975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.337975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.337975 (E_RNA) where: Base-Base interactions energy: -1883.096 where: short stacking energy: -804.540 Base-Backbone interact. energy: -6.813 local terms energy: -835.428132 where: bonds (distance) C4'-P energy: -155.325 bonds (distance) P-C4' energy: -140.409 flat angles C4'-P-C4' energy: -183.198 flat angles P-C4'-P energy: -123.549 tors. eta vs tors. theta energy: -232.947 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: 7 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2664.310137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.310137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.310137 (E_RNA) where: Base-Base interactions energy: -1840.644 where: short stacking energy: -782.511 Base-Backbone interact. energy: 0.514 local terms energy: -824.179456 where: bonds (distance) C4'-P energy: -141.543 bonds (distance) P-C4' energy: -159.744 flat angles C4'-P-C4' energy: -181.536 flat angles P-C4'-P energy: -113.733 tors. eta vs tors. theta energy: -227.624 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: 10 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2400.424521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.424521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.424521 (E_RNA) where: Base-Base interactions energy: -1632.623 where: short stacking energy: -688.045 Base-Backbone interact. energy: -0.141 local terms energy: -767.660110 where: bonds (distance) C4'-P energy: -137.946 bonds (distance) P-C4' energy: -142.165 flat angles C4'-P-C4' energy: -173.132 flat angles P-C4'-P energy: -121.392 tors. eta vs tors. theta energy: -193.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2130.105499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.105499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.105499 (E_RNA) where: Base-Base interactions energy: -1410.970 where: short stacking energy: -615.417 Base-Backbone interact. energy: -1.425 local terms energy: -717.710570 where: bonds (distance) C4'-P energy: -129.344 bonds (distance) P-C4' energy: -148.368 flat angles C4'-P-C4' energy: -166.975 flat angles P-C4'-P energy: -109.512 tors. eta vs tors. theta energy: -163.512 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: 6, replica: 5 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1777.194468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.194468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.194468 (E_RNA) where: Base-Base interactions energy: -1143.975 where: short stacking energy: -486.298 Base-Backbone interact. energy: -0.492 local terms energy: -632.727752 where: bonds (distance) C4'-P energy: -139.722 bonds (distance) P-C4' energy: -157.850 flat angles C4'-P-C4' energy: -145.362 flat angles P-C4'-P energy: -91.842 tors. eta vs tors. theta energy: -97.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1572.403700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.403700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.403700 (E_RNA) where: Base-Base interactions energy: -989.309 where: short stacking energy: -481.988 Base-Backbone interact. energy: -2.305 local terms energy: -580.790605 where: bonds (distance) C4'-P energy: -144.722 bonds (distance) P-C4' energy: -134.434 flat angles C4'-P-C4' energy: -141.368 flat angles P-C4'-P energy: -61.516 tors. eta vs tors. theta energy: -98.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1395.616841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.616841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.616841 (E_RNA) where: Base-Base interactions energy: -840.380 where: short stacking energy: -381.320 Base-Backbone interact. energy: 3.895 local terms energy: -559.131766 where: bonds (distance) C4'-P energy: -133.470 bonds (distance) P-C4' energy: -153.082 flat angles C4'-P-C4' energy: -139.228 flat angles P-C4'-P energy: -84.149 tors. eta vs tors. theta energy: -49.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -991.406712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.406712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.406712 (E_RNA) where: Base-Base interactions energy: -555.397 where: short stacking energy: -293.122 Base-Backbone interact. energy: 3.152 local terms energy: -439.162238 where: bonds (distance) C4'-P energy: -129.503 bonds (distance) P-C4' energy: -124.731 flat angles C4'-P-C4' energy: -134.903 flat angles P-C4'-P energy: -50.188 tors. eta vs tors. theta energy: 0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -780.473741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.473741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.473741 (E_RNA) where: Base-Base interactions energy: -354.726 where: short stacking energy: -207.552 Base-Backbone interact. energy: 5.325 local terms energy: -431.073213 where: bonds (distance) C4'-P energy: -135.193 bonds (distance) P-C4' energy: -130.005 flat angles C4'-P-C4' energy: -116.622 flat angles P-C4'-P energy: -62.164 tors. eta vs tors. theta energy: 12.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2840.390338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.390338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.390338 (E_RNA) where: Base-Base interactions energy: -1948.437 where: short stacking energy: -813.328 Base-Backbone interact. energy: -2.389 local terms energy: -889.563820 where: bonds (distance) C4'-P energy: -158.404 bonds (distance) P-C4' energy: -181.359 flat angles C4'-P-C4' energy: -179.153 flat angles P-C4'-P energy: -122.324 tors. eta vs tors. theta energy: -248.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2770.175164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.175164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.175164 (E_RNA) where: Base-Base interactions energy: -1938.749 where: short stacking energy: -787.664 Base-Backbone interact. energy: -2.135 local terms energy: -829.290385 where: bonds (distance) C4'-P energy: -160.116 bonds (distance) P-C4' energy: -142.399 flat angles C4'-P-C4' energy: -165.823 flat angles P-C4'-P energy: -129.153 tors. eta vs tors. theta energy: -231.799 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: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2670.030345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.030345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.030345 (E_RNA) where: Base-Base interactions energy: -1840.366 where: short stacking energy: -776.769 Base-Backbone interact. energy: -1.668 local terms energy: -827.996501 where: bonds (distance) C4'-P energy: -149.348 bonds (distance) P-C4' energy: -166.248 flat angles C4'-P-C4' energy: -182.251 flat angles P-C4'-P energy: -111.165 tors. eta vs tors. theta energy: -218.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2436.811228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.811228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.811228 (E_RNA) where: Base-Base interactions energy: -1682.937 where: short stacking energy: -715.366 Base-Backbone interact. energy: -2.803 local terms energy: -751.071895 where: bonds (distance) C4'-P energy: -130.117 bonds (distance) P-C4' energy: -150.547 flat angles C4'-P-C4' energy: -156.930 flat angles P-C4'-P energy: -109.084 tors. eta vs tors. theta energy: -204.395 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: 238 Temperature: 1.100000 Total energy: -2143.824641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.824641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.824641 (E_RNA) where: Base-Base interactions energy: -1462.173 where: short stacking energy: -620.809 Base-Backbone interact. energy: 2.542 local terms energy: -684.193440 where: bonds (distance) C4'-P energy: -121.029 bonds (distance) P-C4' energy: -134.020 flat angles C4'-P-C4' energy: -168.646 flat angles P-C4'-P energy: -97.796 tors. eta vs tors. theta energy: -162.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1722.873859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.873859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.873859 (E_RNA) where: Base-Base interactions energy: -1093.413 where: short stacking energy: -514.664 Base-Backbone interact. energy: 0.430 local terms energy: -629.890310 where: bonds (distance) C4'-P energy: -137.746 bonds (distance) P-C4' energy: -146.409 flat angles C4'-P-C4' energy: -158.260 flat angles P-C4'-P energy: -76.526 tors. eta vs tors. theta energy: -110.949 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: 8 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1670.848795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.848795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.848795 (E_RNA) where: Base-Base interactions energy: -1048.044 where: short stacking energy: -497.575 Base-Backbone interact. energy: -3.342 local terms energy: -619.462237 where: bonds (distance) C4'-P energy: -140.914 bonds (distance) P-C4' energy: -144.660 flat angles C4'-P-C4' energy: -147.910 flat angles P-C4'-P energy: -62.020 tors. eta vs tors. theta energy: -123.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1416.709929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.709929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.709929 (E_RNA) where: Base-Base interactions energy: -866.976 where: short stacking energy: -388.814 Base-Backbone interact. energy: 2.716 local terms energy: -552.449625 where: bonds (distance) C4'-P energy: -123.511 bonds (distance) P-C4' energy: -131.631 flat angles C4'-P-C4' energy: -144.517 flat angles P-C4'-P energy: -100.975 tors. eta vs tors. theta energy: -51.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1019.919301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.919301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.919301 (E_RNA) where: Base-Base interactions energy: -531.892 where: short stacking energy: -287.414 Base-Backbone interact. energy: -0.954 local terms energy: -487.073236 where: bonds (distance) C4'-P energy: -117.543 bonds (distance) P-C4' energy: -156.541 flat angles C4'-P-C4' energy: -105.150 flat angles P-C4'-P energy: -93.090 tors. eta vs tors. theta energy: -14.750 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: 6 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -719.146611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.146611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.146611 (E_RNA) where: Base-Base interactions energy: -301.225 where: short stacking energy: -194.896 Base-Backbone interact. energy: -1.710 local terms energy: -416.211718 where: bonds (distance) C4'-P energy: -134.055 bonds (distance) P-C4' energy: -136.801 flat angles C4'-P-C4' energy: -104.483 flat angles P-C4'-P energy: -57.519 tors. eta vs tors. theta energy: 16.646 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: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2830.335480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.335480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.335480 (E_RNA) where: Base-Base interactions energy: -1928.535 where: short stacking energy: -840.951 Base-Backbone interact. energy: -8.021 local terms energy: -893.779506 where: bonds (distance) C4'-P energy: -172.006 bonds (distance) P-C4' energy: -169.760 flat angles C4'-P-C4' energy: -178.741 flat angles P-C4'-P energy: -119.834 tors. eta vs tors. theta energy: -253.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2723.589256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.589256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.589256 (E_RNA) where: Base-Base interactions energy: -1916.042 where: short stacking energy: -779.956 Base-Backbone interact. energy: 4.811 local terms energy: -812.358310 where: bonds (distance) C4'-P energy: -141.905 bonds (distance) P-C4' energy: -162.832 flat angles C4'-P-C4' energy: -183.089 flat angles P-C4'-P energy: -95.627 tors. eta vs tors. theta energy: -228.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2641.544613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.544613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.544613 (E_RNA) where: Base-Base interactions energy: -1835.687 where: short stacking energy: -749.299 Base-Backbone interact. energy: -3.364 local terms energy: -802.493978 where: bonds (distance) C4'-P energy: -160.248 bonds (distance) P-C4' energy: -141.392 flat angles C4'-P-C4' energy: -168.337 flat angles P-C4'-P energy: -106.357 tors. eta vs tors. theta energy: -226.159 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: 10 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2421.544713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.544713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.544713 (E_RNA) where: Base-Base interactions energy: -1656.352 where: short stacking energy: -711.670 Base-Backbone interact. energy: -3.289 local terms energy: -761.902856 where: bonds (distance) C4'-P energy: -149.906 bonds (distance) P-C4' energy: -145.077 flat angles C4'-P-C4' energy: -157.380 flat angles P-C4'-P energy: -107.152 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: 5, replica: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2137.717971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.717971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.717971 (E_RNA) where: Base-Base interactions energy: -1392.311 where: short stacking energy: -627.634 Base-Backbone interact. energy: -1.786 local terms energy: -743.620882 where: bonds (distance) C4'-P energy: -143.521 bonds (distance) P-C4' energy: -149.383 flat angles C4'-P-C4' energy: -171.519 flat angles P-C4'-P energy: -111.655 tors. eta vs tors. theta energy: -167.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1724.588710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.588710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.588710 (E_RNA) where: Base-Base interactions energy: -1063.853 where: short stacking energy: -502.857 Base-Backbone interact. energy: 0.646 local terms energy: -661.381136 where: bonds (distance) C4'-P energy: -132.778 bonds (distance) P-C4' energy: -146.021 flat angles C4'-P-C4' energy: -152.380 flat angles P-C4'-P energy: -114.465 tors. eta vs tors. theta energy: -115.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1631.639265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.639265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.639265 (E_RNA) where: Base-Base interactions energy: -1013.677 where: short stacking energy: -466.120 Base-Backbone interact. energy: 0.692 local terms energy: -618.653437 where: bonds (distance) C4'-P energy: -125.942 bonds (distance) P-C4' energy: -134.908 flat angles C4'-P-C4' energy: -152.647 flat angles P-C4'-P energy: -97.265 tors. eta vs tors. theta energy: -107.891 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: 4 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1376.228198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.228198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.228198 (E_RNA) where: Base-Base interactions energy: -836.730 where: short stacking energy: -373.233 Base-Backbone interact. energy: 1.790 local terms energy: -541.288233 where: bonds (distance) C4'-P energy: -135.547 bonds (distance) P-C4' energy: -129.315 flat angles C4'-P-C4' energy: -136.133 flat angles P-C4'-P energy: -84.099 tors. eta vs tors. theta energy: -56.194 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: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1001.647336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.647336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.647336 (E_RNA) where: Base-Base interactions energy: -521.518 where: short stacking energy: -332.679 Base-Backbone interact. energy: 1.978 local terms energy: -482.107270 where: bonds (distance) C4'-P energy: -125.620 bonds (distance) P-C4' energy: -123.941 flat angles C4'-P-C4' energy: -119.685 flat angles P-C4'-P energy: -63.448 tors. eta vs tors. theta energy: -49.413 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: 6 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -729.732434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.732434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.732434 (E_RNA) where: Base-Base interactions energy: -330.396 where: short stacking energy: -198.673 Base-Backbone interact. energy: 3.998 local terms energy: -403.334314 where: bonds (distance) C4'-P energy: -117.207 bonds (distance) P-C4' energy: -123.612 flat angles C4'-P-C4' energy: -120.797 flat angles P-C4'-P energy: -54.965 tors. eta vs tors. theta energy: 13.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2824.750668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.750668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.750668 (E_RNA) where: Base-Base interactions energy: -1945.994 where: short stacking energy: -798.581 Base-Backbone interact. energy: -4.335 local terms energy: -874.422363 where: bonds (distance) C4'-P energy: -161.672 bonds (distance) P-C4' energy: -162.721 flat angles C4'-P-C4' energy: -182.995 flat angles P-C4'-P energy: -126.170 tors. eta vs tors. theta energy: -240.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2805.983340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.983340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.983340 (E_RNA) where: Base-Base interactions energy: -1945.391 where: short stacking energy: -817.016 Base-Backbone interact. energy: -0.725 local terms energy: -859.868024 where: bonds (distance) C4'-P energy: -142.771 bonds (distance) P-C4' energy: -173.145 flat angles C4'-P-C4' energy: -195.509 flat angles P-C4'-P energy: -108.604 tors. eta vs tors. theta energy: -239.839 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: 3, replica: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2667.405591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.405591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.405591 (E_RNA) where: Base-Base interactions energy: -1852.444 where: short stacking energy: -787.180 Base-Backbone interact. energy: -4.358 local terms energy: -810.602703 where: bonds (distance) C4'-P energy: -146.182 bonds (distance) P-C4' energy: -160.530 flat angles C4'-P-C4' energy: -168.400 flat angles P-C4'-P energy: -96.489 tors. eta vs tors. theta energy: -239.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2416.959864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.959864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.959864 (E_RNA) where: Base-Base interactions energy: -1635.600 where: short stacking energy: -725.827 Base-Backbone interact. energy: -1.961 local terms energy: -779.399008 where: bonds (distance) C4'-P energy: -132.639 bonds (distance) P-C4' energy: -149.185 flat angles C4'-P-C4' energy: -185.475 flat angles P-C4'-P energy: -97.126 tors. eta vs tors. theta energy: -214.974 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: 240 Temperature: 1.100000 Total energy: -2179.049371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.049371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.049371 (E_RNA) where: Base-Base interactions energy: -1423.874 where: short stacking energy: -639.454 Base-Backbone interact. energy: -0.412 local terms energy: -754.763742 where: bonds (distance) C4'-P energy: -135.988 bonds (distance) P-C4' energy: -155.254 flat angles C4'-P-C4' energy: -174.873 flat angles P-C4'-P energy: -109.664 tors. eta vs tors. theta energy: -178.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1725.928026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.928026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.928026 (E_RNA) where: Base-Base interactions energy: -1063.607 where: short stacking energy: -485.331 Base-Backbone interact. energy: 0.154 local terms energy: -662.474839 where: bonds (distance) C4'-P energy: -162.459 bonds (distance) P-C4' energy: -166.719 flat angles C4'-P-C4' energy: -129.556 flat angles P-C4'-P energy: -97.608 tors. eta vs tors. theta energy: -106.133 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: 8 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1664.840074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.840074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.840074 (E_RNA) where: Base-Base interactions energy: -1019.380 where: short stacking energy: -472.305 Base-Backbone interact. energy: -2.216 local terms energy: -643.244787 where: bonds (distance) C4'-P energy: -142.891 bonds (distance) P-C4' energy: -143.485 flat angles C4'-P-C4' energy: -163.660 flat angles P-C4'-P energy: -92.205 tors. eta vs tors. theta energy: -101.004 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: 4 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1367.506339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.506339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.506339 (E_RNA) where: Base-Base interactions energy: -800.866 where: short stacking energy: -361.503 Base-Backbone interact. energy: -0.658 local terms energy: -565.981747 where: bonds (distance) C4'-P energy: -160.254 bonds (distance) P-C4' energy: -140.159 flat angles C4'-P-C4' energy: -143.932 flat angles P-C4'-P energy: -64.538 tors. eta vs tors. theta energy: -57.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1018.628417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.628417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.628417 (E_RNA) where: Base-Base interactions energy: -531.541 where: short stacking energy: -300.426 Base-Backbone interact. energy: -2.870 local terms energy: -484.216720 where: bonds (distance) C4'-P energy: -137.017 bonds (distance) P-C4' energy: -138.456 flat angles C4'-P-C4' energy: -113.969 flat angles P-C4'-P energy: -81.310 tors. eta vs tors. theta energy: -13.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -761.010712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.010712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.010712 (E_RNA) where: Base-Base interactions energy: -320.263 where: short stacking energy: -208.155 Base-Backbone interact. energy: -3.579 local terms energy: -437.168672 where: bonds (distance) C4'-P energy: -127.214 bonds (distance) P-C4' energy: -145.143 flat angles C4'-P-C4' energy: -114.573 flat angles P-C4'-P energy: -64.911 tors. eta vs tors. theta energy: 14.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2839.330991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.330991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.330991 (E_RNA) where: Base-Base interactions energy: -1947.950 where: short stacking energy: -844.494 Base-Backbone interact. energy: -0.208 local terms energy: -891.172783 where: bonds (distance) C4'-P energy: -165.509 bonds (distance) P-C4' energy: -165.490 flat angles C4'-P-C4' energy: -180.851 flat angles P-C4'-P energy: -126.387 tors. eta vs tors. theta energy: -252.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2790.585704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.585704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.585704 (E_RNA) where: Base-Base interactions energy: -1925.277 where: short stacking energy: -789.540 Base-Backbone interact. energy: -6.252 local terms energy: -859.056480 where: bonds (distance) C4'-P energy: -155.698 bonds (distance) P-C4' energy: -168.798 flat angles C4'-P-C4' energy: -189.640 flat angles P-C4'-P energy: -120.977 tors. eta vs tors. theta energy: -223.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2645.736664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.736664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.736664 (E_RNA) where: Base-Base interactions energy: -1833.415 where: short stacking energy: -774.985 Base-Backbone interact. energy: -5.242 local terms energy: -807.080012 where: bonds (distance) C4'-P energy: -149.705 bonds (distance) P-C4' energy: -157.744 flat angles C4'-P-C4' energy: -169.498 flat angles P-C4'-P energy: -111.032 tors. eta vs tors. theta energy: -219.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2367.578386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.578386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.578386 (E_RNA) where: Base-Base interactions energy: -1614.781 where: short stacking energy: -680.394 Base-Backbone interact. energy: -5.850 local terms energy: -746.947582 where: bonds (distance) C4'-P energy: -143.867 bonds (distance) P-C4' energy: -143.253 flat angles C4'-P-C4' energy: -177.026 flat angles P-C4'-P energy: -103.041 tors. eta vs tors. theta energy: -179.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2225.907725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.907725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.907725 (E_RNA) where: Base-Base interactions energy: -1529.229 where: short stacking energy: -673.924 Base-Backbone interact. energy: 0.067 local terms energy: -696.746158 where: bonds (distance) C4'-P energy: -114.942 bonds (distance) P-C4' energy: -144.634 flat angles C4'-P-C4' energy: -151.954 flat angles P-C4'-P energy: -103.575 tors. eta vs tors. theta energy: -181.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1777.838132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.838132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.838132 (E_RNA) where: Base-Base interactions energy: -1159.748 where: short stacking energy: -525.884 Base-Backbone interact. energy: -0.931 local terms energy: -617.159256 where: bonds (distance) C4'-P energy: -133.344 bonds (distance) P-C4' energy: -137.633 flat angles C4'-P-C4' energy: -132.562 flat angles P-C4'-P energy: -100.441 tors. eta vs tors. theta energy: -113.179 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: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1569.753429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.753429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.753429 (E_RNA) where: Base-Base interactions energy: -973.168 where: short stacking energy: -455.431 Base-Backbone interact. energy: 0.975 local terms energy: -597.560057 where: bonds (distance) C4'-P energy: -128.071 bonds (distance) P-C4' energy: -130.705 flat angles C4'-P-C4' energy: -142.242 flat angles P-C4'-P energy: -102.224 tors. eta vs tors. theta energy: -94.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1367.935054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.935054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.935054 (E_RNA) where: Base-Base interactions energy: -834.278 where: short stacking energy: -386.709 Base-Backbone interact. energy: 4.032 local terms energy: -537.688706 where: bonds (distance) C4'-P energy: -144.701 bonds (distance) P-C4' energy: -145.862 flat angles C4'-P-C4' energy: -120.416 flat angles P-C4'-P energy: -73.530 tors. eta vs tors. theta energy: -53.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -998.753825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.753825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.753825 (E_RNA) where: Base-Base interactions energy: -511.449 where: short stacking energy: -274.043 Base-Backbone interact. energy: 1.292 local terms energy: -488.597356 where: bonds (distance) C4'-P energy: -106.724 bonds (distance) P-C4' energy: -153.215 flat angles C4'-P-C4' energy: -117.370 flat angles P-C4'-P energy: -82.873 tors. eta vs tors. theta energy: -28.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -792.194383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.194383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.194383 (E_RNA) where: Base-Base interactions energy: -341.833 where: short stacking energy: -219.489 Base-Backbone interact. energy: -2.372 local terms energy: -447.988772 where: bonds (distance) C4'-P energy: -129.786 bonds (distance) P-C4' energy: -151.177 flat angles C4'-P-C4' energy: -122.539 flat angles P-C4'-P energy: -62.651 tors. eta vs tors. theta energy: 18.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2809.117380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.117380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.117380 (E_RNA) where: Base-Base interactions energy: -1915.657 where: short stacking energy: -830.390 Base-Backbone interact. energy: 0.621 local terms energy: -894.081747 where: bonds (distance) C4'-P energy: -160.887 bonds (distance) P-C4' energy: -186.000 flat angles C4'-P-C4' energy: -184.511 flat angles P-C4'-P energy: -116.792 tors. eta vs tors. theta energy: -245.892 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: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2825.757399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.757399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.757399 (E_RNA) where: Base-Base interactions energy: -1995.438 where: short stacking energy: -842.004 Base-Backbone interact. energy: -6.318 local terms energy: -824.001187 where: bonds (distance) C4'-P energy: -136.952 bonds (distance) P-C4' energy: -173.931 flat angles C4'-P-C4' energy: -180.330 flat angles P-C4'-P energy: -103.098 tors. eta vs tors. theta energy: -229.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2653.675306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.675306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.675306 (E_RNA) where: Base-Base interactions energy: -1826.375 where: short stacking energy: -791.208 Base-Backbone interact. energy: -7.775 local terms energy: -819.525799 where: bonds (distance) C4'-P energy: -159.145 bonds (distance) P-C4' energy: -147.213 flat angles C4'-P-C4' energy: -182.649 flat angles P-C4'-P energy: -108.064 tors. eta vs tors. theta energy: -222.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2373.893058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.893058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.893058 (E_RNA) where: Base-Base interactions energy: -1629.636 where: short stacking energy: -707.976 Base-Backbone interact. energy: -2.422 local terms energy: -741.834897 where: bonds (distance) C4'-P energy: -139.693 bonds (distance) P-C4' energy: -149.171 flat angles C4'-P-C4' energy: -157.071 flat angles P-C4'-P energy: -107.528 tors. eta vs tors. theta energy: -188.371 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: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2214.785102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.785102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.785102 (E_RNA) where: Base-Base interactions energy: -1486.126 where: short stacking energy: -628.742 Base-Backbone interact. energy: -2.554 local terms energy: -726.104800 where: bonds (distance) C4'-P energy: -131.499 bonds (distance) P-C4' energy: -139.734 flat angles C4'-P-C4' energy: -169.337 flat angles P-C4'-P energy: -112.709 tors. eta vs tors. theta energy: -172.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1699.673220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.673220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.673220 (E_RNA) where: Base-Base interactions energy: -1046.475 where: short stacking energy: -498.888 Base-Backbone interact. energy: -6.942 local terms energy: -646.256375 where: bonds (distance) C4'-P energy: -140.902 bonds (distance) P-C4' energy: -154.970 flat angles C4'-P-C4' energy: -146.177 flat angles P-C4'-P energy: -85.603 tors. eta vs tors. theta energy: -118.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1517.723557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.723557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.723557 (E_RNA) where: Base-Base interactions energy: -920.764 where: short stacking energy: -447.684 Base-Backbone interact. energy: -2.876 local terms energy: -594.083800 where: bonds (distance) C4'-P energy: -104.125 bonds (distance) P-C4' energy: -154.052 flat angles C4'-P-C4' energy: -158.452 flat angles P-C4'-P energy: -91.663 tors. eta vs tors. theta energy: -85.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1387.549057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.549057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.549057 (E_RNA) where: Base-Base interactions energy: -831.291 where: short stacking energy: -396.415 Base-Backbone interact. energy: 2.150 local terms energy: -558.408175 where: bonds (distance) C4'-P energy: -132.862 bonds (distance) P-C4' energy: -164.703 flat angles C4'-P-C4' energy: -125.139 flat angles P-C4'-P energy: -74.840 tors. eta vs tors. theta energy: -60.865 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: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1045.080291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.080291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.080291 (E_RNA) where: Base-Base interactions energy: -589.121 where: short stacking energy: -327.338 Base-Backbone interact. energy: 4.901 local terms energy: -460.860353 where: bonds (distance) C4'-P energy: -114.029 bonds (distance) P-C4' energy: -121.219 flat angles C4'-P-C4' energy: -124.589 flat angles P-C4'-P energy: -73.832 tors. eta vs tors. theta energy: -27.192 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: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -787.598282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.598282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.598282 (E_RNA) where: Base-Base interactions energy: -365.571 where: short stacking energy: -267.911 Base-Backbone interact. energy: -3.257 local terms energy: -418.770938 where: bonds (distance) C4'-P energy: -112.390 bonds (distance) P-C4' energy: -146.025 flat angles C4'-P-C4' energy: -112.414 flat angles P-C4'-P energy: -46.656 tors. eta vs tors. theta energy: -1.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2831.559699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.559699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.559699 (E_RNA) where: Base-Base interactions energy: -1943.594 where: short stacking energy: -839.033 Base-Backbone interact. energy: -4.088 local terms energy: -883.877545 where: bonds (distance) C4'-P energy: -157.341 bonds (distance) P-C4' energy: -168.948 flat angles C4'-P-C4' energy: -199.729 flat angles P-C4'-P energy: -111.212 tors. eta vs tors. theta energy: -246.648 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: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2783.192459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.192459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.192459 (E_RNA) where: Base-Base interactions energy: -1947.094 where: short stacking energy: -823.784 Base-Backbone interact. energy: -2.283 local terms energy: -833.815415 where: bonds (distance) C4'-P energy: -159.677 bonds (distance) P-C4' energy: -153.929 flat angles C4'-P-C4' energy: -170.338 flat angles P-C4'-P energy: -119.163 tors. eta vs tors. theta energy: -230.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2644.527039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.527039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.527039 (E_RNA) where: Base-Base interactions energy: -1842.006 where: short stacking energy: -746.933 Base-Backbone interact. energy: -5.592 local terms energy: -796.929153 where: bonds (distance) C4'-P energy: -153.976 bonds (distance) P-C4' energy: -152.925 flat angles C4'-P-C4' energy: -175.975 flat angles P-C4'-P energy: -101.608 tors. eta vs tors. theta energy: -212.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2374.808676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.808676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.808676 (E_RNA) where: Base-Base interactions energy: -1636.903 where: short stacking energy: -689.423 Base-Backbone interact. energy: -2.279 local terms energy: -735.626425 where: bonds (distance) C4'-P energy: -136.514 bonds (distance) P-C4' energy: -137.875 flat angles C4'-P-C4' energy: -166.139 flat angles P-C4'-P energy: -112.336 tors. eta vs tors. theta energy: -182.762 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: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2189.243007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.243007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.243007 (E_RNA) where: Base-Base interactions energy: -1445.192 where: short stacking energy: -619.563 Base-Backbone interact. energy: -6.138 local terms energy: -737.913514 where: bonds (distance) C4'-P energy: -133.363 bonds (distance) P-C4' energy: -157.793 flat angles C4'-P-C4' energy: -172.777 flat angles P-C4'-P energy: -105.193 tors. eta vs tors. theta energy: -168.788 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: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1727.678426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.678426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.678426 (E_RNA) where: Base-Base interactions energy: -1107.547 where: short stacking energy: -496.938 Base-Backbone interact. energy: -0.880 local terms energy: -619.251861 where: bonds (distance) C4'-P energy: -145.878 bonds (distance) P-C4' energy: -158.454 flat angles C4'-P-C4' energy: -129.813 flat angles P-C4'-P energy: -87.829 tors. eta vs tors. theta energy: -97.278 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: 243 Temperature: 1.200000 Total energy: -1502.137903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.137903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.137903 (E_RNA) where: Base-Base interactions energy: -908.234 where: short stacking energy: -411.593 Base-Backbone interact. energy: 1.558 local terms energy: -595.461516 where: bonds (distance) C4'-P energy: -144.695 bonds (distance) P-C4' energy: -153.386 flat angles C4'-P-C4' energy: -127.011 flat angles P-C4'-P energy: -72.267 tors. eta vs tors. theta energy: -98.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1416.770044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.770044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.770044 (E_RNA) where: Base-Base interactions energy: -891.453 where: short stacking energy: -391.669 Base-Backbone interact. energy: -2.280 local terms energy: -523.037492 where: bonds (distance) C4'-P energy: -119.763 bonds (distance) P-C4' energy: -128.735 flat angles C4'-P-C4' energy: -128.773 flat angles P-C4'-P energy: -77.018 tors. eta vs tors. theta energy: -68.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1052.992537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.992537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.992537 (E_RNA) where: Base-Base interactions energy: -565.764 where: short stacking energy: -316.514 Base-Backbone interact. energy: 3.564 local terms energy: -490.792256 where: bonds (distance) C4'-P energy: -127.126 bonds (distance) P-C4' energy: -144.268 flat angles C4'-P-C4' energy: -122.649 flat angles P-C4'-P energy: -71.783 tors. eta vs tors. theta energy: -24.966 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: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -753.245752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.245752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.245752 (E_RNA) where: Base-Base interactions energy: -334.658 where: short stacking energy: -200.484 Base-Backbone interact. energy: 6.286 local terms energy: -424.873440 where: bonds (distance) C4'-P energy: -125.674 bonds (distance) P-C4' energy: -137.805 flat angles C4'-P-C4' energy: -130.525 flat angles P-C4'-P energy: -43.937 tors. eta vs tors. theta energy: 13.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2825.413191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.413191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.413191 (E_RNA) where: Base-Base interactions energy: -1942.737 where: short stacking energy: -821.013 Base-Backbone interact. energy: -4.300 local terms energy: -878.375866 where: bonds (distance) C4'-P energy: -171.697 bonds (distance) P-C4' energy: -162.202 flat angles C4'-P-C4' energy: -186.916 flat angles P-C4'-P energy: -113.724 tors. eta vs tors. theta energy: -243.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2802.445672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.445672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.445672 (E_RNA) where: Base-Base interactions energy: -1956.124 where: short stacking energy: -840.534 Base-Backbone interact. energy: -2.510 local terms energy: -843.811873 where: bonds (distance) C4'-P energy: -144.342 bonds (distance) P-C4' energy: -149.723 flat angles C4'-P-C4' energy: -200.545 flat angles P-C4'-P energy: -116.073 tors. eta vs tors. theta energy: -233.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2631.675017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.675017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.675017 (E_RNA) where: Base-Base interactions energy: -1818.027 where: short stacking energy: -739.732 Base-Backbone interact. energy: -1.569 local terms energy: -812.078414 where: bonds (distance) C4'-P energy: -157.124 bonds (distance) P-C4' energy: -156.810 flat angles C4'-P-C4' energy: -166.595 flat angles P-C4'-P energy: -117.255 tors. eta vs tors. theta energy: -214.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2436.715100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.715100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.715100 (E_RNA) where: Base-Base interactions energy: -1637.403 where: short stacking energy: -706.284 Base-Backbone interact. energy: 1.926 local terms energy: -801.238127 where: bonds (distance) C4'-P energy: -171.628 bonds (distance) P-C4' energy: -142.720 flat angles C4'-P-C4' energy: -169.937 flat angles P-C4'-P energy: -115.943 tors. eta vs tors. theta energy: -201.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2218.233751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.233751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.233751 (E_RNA) where: Base-Base interactions energy: -1494.505 where: short stacking energy: -650.740 Base-Backbone interact. energy: -4.917 local terms energy: -718.811529 where: bonds (distance) C4'-P energy: -134.219 bonds (distance) P-C4' energy: -144.904 flat angles C4'-P-C4' energy: -157.078 flat angles P-C4'-P energy: -104.588 tors. eta vs tors. theta energy: -178.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1740.265390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.265390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.265390 (E_RNA) where: Base-Base interactions energy: -1121.052 where: short stacking energy: -516.161 Base-Backbone interact. energy: -4.722 local terms energy: -614.491818 where: bonds (distance) C4'-P energy: -133.900 bonds (distance) P-C4' energy: -129.161 flat angles C4'-P-C4' energy: -137.452 flat angles P-C4'-P energy: -101.445 tors. eta vs tors. theta energy: -112.533 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: 8 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1502.142654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.142654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.142654 (E_RNA) where: Base-Base interactions energy: -897.638 where: short stacking energy: -417.115 Base-Backbone interact. energy: -1.513 local terms energy: -602.991682 where: bonds (distance) C4'-P energy: -130.566 bonds (distance) P-C4' energy: -148.888 flat angles C4'-P-C4' energy: -148.234 flat angles P-C4'-P energy: -88.512 tors. eta vs tors. theta energy: -86.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1458.167394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.167394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.167394 (E_RNA) where: Base-Base interactions energy: -953.251 where: short stacking energy: -409.681 Base-Backbone interact. energy: -0.528 local terms energy: -504.389073 where: bonds (distance) C4'-P energy: -112.427 bonds (distance) P-C4' energy: -123.466 flat angles C4'-P-C4' energy: -123.191 flat angles P-C4'-P energy: -92.873 tors. eta vs tors. theta energy: -52.431 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: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1062.593202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.593202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.593202 (E_RNA) where: Base-Base interactions energy: -569.525 where: short stacking energy: -308.341 Base-Backbone interact. energy: -3.871 local terms energy: -489.197079 where: bonds (distance) C4'-P energy: -126.284 bonds (distance) P-C4' energy: -146.079 flat angles C4'-P-C4' energy: -119.329 flat angles P-C4'-P energy: -73.642 tors. eta vs tors. theta energy: -23.862 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: 6 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -710.889260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.889260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.889260 (E_RNA) where: Base-Base interactions energy: -301.561 where: short stacking energy: -219.118 Base-Backbone interact. energy: -2.815 local terms energy: -406.513245 where: bonds (distance) C4'-P energy: -129.002 bonds (distance) P-C4' energy: -141.903 flat angles C4'-P-C4' energy: -104.152 flat angles P-C4'-P energy: -48.301 tors. eta vs tors. theta energy: 16.844 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: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2816.865522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.865522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.865522 (E_RNA) where: Base-Base interactions energy: -1915.545 where: short stacking energy: -847.904 Base-Backbone interact. energy: -4.428 local terms energy: -896.892564 where: bonds (distance) C4'-P energy: -163.454 bonds (distance) P-C4' energy: -163.575 flat angles C4'-P-C4' energy: -191.919 flat angles P-C4'-P energy: -131.278 tors. eta vs tors. theta energy: -246.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2804.575324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.575324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.575324 (E_RNA) where: Base-Base interactions energy: -1943.713 where: short stacking energy: -824.041 Base-Backbone interact. energy: -1.350 local terms energy: -859.512628 where: bonds (distance) C4'-P energy: -150.439 bonds (distance) P-C4' energy: -154.728 flat angles C4'-P-C4' energy: -183.446 flat angles P-C4'-P energy: -135.247 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: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2639.997191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.997191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.997191 (E_RNA) where: Base-Base interactions energy: -1798.758 where: short stacking energy: -749.444 Base-Backbone interact. energy: -1.064 local terms energy: -840.174599 where: bonds (distance) C4'-P energy: -156.217 bonds (distance) P-C4' energy: -155.537 flat angles C4'-P-C4' energy: -189.465 flat angles P-C4'-P energy: -108.259 tors. eta vs tors. theta energy: -230.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2439.850587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.850587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.850587 (E_RNA) where: Base-Base interactions energy: -1645.835 where: short stacking energy: -718.926 Base-Backbone interact. energy: 0.816 local terms energy: -794.831562 where: bonds (distance) C4'-P energy: -170.453 bonds (distance) P-C4' energy: -131.077 flat angles C4'-P-C4' energy: -175.186 flat angles P-C4'-P energy: -101.996 tors. eta vs tors. theta energy: -216.119 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: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2245.366047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.366047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.366047 (E_RNA) where: Base-Base interactions energy: -1500.019 where: short stacking energy: -666.272 Base-Backbone interact. energy: 4.339 local terms energy: -749.686043 where: bonds (distance) C4'-P energy: -143.494 bonds (distance) P-C4' energy: -142.137 flat angles C4'-P-C4' energy: -155.648 flat angles P-C4'-P energy: -113.192 tors. eta vs tors. theta energy: -195.214 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: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1772.281526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.281526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.281526 (E_RNA) where: Base-Base interactions energy: -1112.963 where: short stacking energy: -520.552 Base-Backbone interact. energy: -3.111 local terms energy: -656.207048 where: bonds (distance) C4'-P energy: -133.762 bonds (distance) P-C4' energy: -154.640 flat angles C4'-P-C4' energy: -161.450 flat angles P-C4'-P energy: -88.323 tors. eta vs tors. theta energy: -118.033 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: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1563.001172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.001172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.001172 (E_RNA) where: Base-Base interactions energy: -963.520 where: short stacking energy: -435.947 Base-Backbone interact. energy: 0.477 local terms energy: -599.957909 where: bonds (distance) C4'-P energy: -137.067 bonds (distance) P-C4' energy: -138.240 flat angles C4'-P-C4' energy: -133.857 flat angles P-C4'-P energy: -101.998 tors. eta vs tors. theta energy: -88.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1502.094827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.094827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.094827 (E_RNA) where: Base-Base interactions energy: -914.284 where: short stacking energy: -443.570 Base-Backbone interact. energy: -2.171 local terms energy: -585.640344 where: bonds (distance) C4'-P energy: -136.722 bonds (distance) P-C4' energy: -125.546 flat angles C4'-P-C4' energy: -149.295 flat angles P-C4'-P energy: -86.715 tors. eta vs tors. theta energy: -87.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -951.526057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.526057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.526057 (E_RNA) where: Base-Base interactions energy: -498.345 where: short stacking energy: -277.463 Base-Backbone interact. energy: -0.254 local terms energy: -452.927436 where: bonds (distance) C4'-P energy: -111.463 bonds (distance) P-C4' energy: -140.959 flat angles C4'-P-C4' energy: -128.857 flat angles P-C4'-P energy: -59.099 tors. eta vs tors. theta energy: -12.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -793.029471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.029471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.029471 (E_RNA) where: Base-Base interactions energy: -376.346 where: short stacking energy: -237.163 Base-Backbone interact. energy: -3.678 local terms energy: -413.005889 where: bonds (distance) C4'-P energy: -117.154 bonds (distance) P-C4' energy: -134.203 flat angles C4'-P-C4' energy: -105.337 flat angles P-C4'-P energy: -58.921 tors. eta vs tors. theta energy: 2.609 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: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2837.771795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.771795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.771795 (E_RNA) where: Base-Base interactions energy: -1925.464 where: short stacking energy: -847.674 Base-Backbone interact. energy: -6.809 local terms energy: -905.498312 where: bonds (distance) C4'-P energy: -167.810 bonds (distance) P-C4' energy: -163.145 flat angles C4'-P-C4' energy: -199.963 flat angles P-C4'-P energy: -132.025 tors. eta vs tors. theta energy: -242.554 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: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2784.522024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.522024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.522024 (E_RNA) where: Base-Base interactions energy: -1923.278 where: short stacking energy: -805.311 Base-Backbone interact. energy: 6.537 local terms energy: -867.780935 where: bonds (distance) C4'-P energy: -151.939 bonds (distance) P-C4' energy: -166.483 flat angles C4'-P-C4' energy: -183.749 flat angles P-C4'-P energy: -128.162 tors. eta vs tors. theta energy: -237.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2622.046123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.046123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.046123 (E_RNA) where: Base-Base interactions energy: -1792.776 where: short stacking energy: -733.474 Base-Backbone interact. energy: -4.145 local terms energy: -825.125377 where: bonds (distance) C4'-P energy: -136.830 bonds (distance) P-C4' energy: -151.763 flat angles C4'-P-C4' energy: -187.491 flat angles P-C4'-P energy: -124.556 tors. eta vs tors. theta energy: -224.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2496.779389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.779389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.779389 (E_RNA) where: Base-Base interactions energy: -1709.580 where: short stacking energy: -729.405 Base-Backbone interact. energy: -4.480 local terms energy: -782.719285 where: bonds (distance) C4'-P energy: -155.648 bonds (distance) P-C4' energy: -152.730 flat angles C4'-P-C4' energy: -174.791 flat angles P-C4'-P energy: -104.243 tors. eta vs tors. theta energy: -195.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2211.579429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.579429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.579429 (E_RNA) where: Base-Base interactions energy: -1500.292 where: short stacking energy: -656.555 Base-Backbone interact. energy: 1.866 local terms energy: -713.153877 where: bonds (distance) C4'-P energy: -148.443 bonds (distance) P-C4' energy: -149.952 flat angles C4'-P-C4' energy: -146.627 flat angles P-C4'-P energy: -102.038 tors. eta vs tors. theta energy: -166.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1695.267678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.267678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.267678 (E_RNA) where: Base-Base interactions energy: -1026.799 where: short stacking energy: -503.956 Base-Backbone interact. energy: 0.251 local terms energy: -668.719443 where: bonds (distance) C4'-P energy: -156.934 bonds (distance) P-C4' energy: -148.870 flat angles C4'-P-C4' energy: -144.709 flat angles P-C4'-P energy: -104.671 tors. eta vs tors. theta energy: -113.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1585.900080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.900080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.900080 (E_RNA) where: Base-Base interactions energy: -940.167 where: short stacking energy: -446.238 Base-Backbone interact. energy: -2.451 local terms energy: -643.281788 where: bonds (distance) C4'-P energy: -143.672 bonds (distance) P-C4' energy: -155.825 flat angles C4'-P-C4' energy: -136.543 flat angles P-C4'-P energy: -97.529 tors. eta vs tors. theta energy: -109.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1491.669766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.669766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.669766 (E_RNA) where: Base-Base interactions energy: -940.297 where: short stacking energy: -392.223 Base-Backbone interact. energy: 3.218 local terms energy: -554.591323 where: bonds (distance) C4'-P energy: -133.082 bonds (distance) P-C4' energy: -146.918 flat angles C4'-P-C4' energy: -136.730 flat angles P-C4'-P energy: -69.786 tors. eta vs tors. theta energy: -68.075 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: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -938.087374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.087374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.087374 (E_RNA) where: Base-Base interactions energy: -481.274 where: short stacking energy: -226.374 Base-Backbone interact. energy: -0.090 local terms energy: -456.723781 where: bonds (distance) C4'-P energy: -112.466 bonds (distance) P-C4' energy: -142.432 flat angles C4'-P-C4' energy: -133.062 flat angles P-C4'-P energy: -82.506 tors. eta vs tors. theta energy: 13.742 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: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -707.650058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.650058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.650058 (E_RNA) where: Base-Base interactions energy: -280.663 where: short stacking energy: -180.635 Base-Backbone interact. energy: 2.032 local terms energy: -429.018895 where: bonds (distance) C4'-P energy: -116.987 bonds (distance) P-C4' energy: -159.707 flat angles C4'-P-C4' energy: -112.308 flat angles P-C4'-P energy: -73.046 tors. eta vs tors. theta energy: 33.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2810.159415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.159415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.159415 (E_RNA) where: Base-Base interactions energy: -1901.706 where: short stacking energy: -823.087 Base-Backbone interact. energy: 2.255 local terms energy: -910.707839 where: bonds (distance) C4'-P energy: -162.070 bonds (distance) P-C4' energy: -176.873 flat angles C4'-P-C4' energy: -189.143 flat angles P-C4'-P energy: -147.954 tors. eta vs tors. theta energy: -234.668 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: 2, replica: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2790.654182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.654182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.654182 (E_RNA) where: Base-Base interactions energy: -1959.166 where: short stacking energy: -828.874 Base-Backbone interact. energy: -0.930 local terms energy: -830.557452 where: bonds (distance) C4'-P energy: -148.526 bonds (distance) P-C4' energy: -155.736 flat angles C4'-P-C4' energy: -184.243 flat angles P-C4'-P energy: -114.095 tors. eta vs tors. theta energy: -227.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2636.487058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.487058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.487058 (E_RNA) where: Base-Base interactions energy: -1830.843 where: short stacking energy: -735.038 Base-Backbone interact. energy: 0.448 local terms energy: -806.091499 where: bonds (distance) C4'-P energy: -149.114 bonds (distance) P-C4' energy: -153.382 flat angles C4'-P-C4' energy: -183.474 flat angles P-C4'-P energy: -104.303 tors. eta vs tors. theta energy: -215.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2469.709448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.709448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.709448 (E_RNA) where: Base-Base interactions energy: -1690.356 where: short stacking energy: -708.286 Base-Backbone interact. energy: -4.259 local terms energy: -775.094959 where: bonds (distance) C4'-P energy: -144.032 bonds (distance) P-C4' energy: -156.317 flat angles C4'-P-C4' energy: -163.654 flat angles P-C4'-P energy: -107.889 tors. eta vs tors. theta energy: -203.203 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: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2238.373094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.373094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.373094 (E_RNA) where: Base-Base interactions energy: -1481.641 where: short stacking energy: -656.799 Base-Backbone interact. energy: -1.532 local terms energy: -755.199867 where: bonds (distance) C4'-P energy: -140.908 bonds (distance) P-C4' energy: -162.093 flat angles C4'-P-C4' energy: -160.241 flat angles P-C4'-P energy: -113.242 tors. eta vs tors. theta energy: -178.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1750.254343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.254343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.254343 (E_RNA) where: Base-Base interactions energy: -1106.438 where: short stacking energy: -521.445 Base-Backbone interact. energy: -4.737 local terms energy: -639.078452 where: bonds (distance) C4'-P energy: -138.139 bonds (distance) P-C4' energy: -151.812 flat angles C4'-P-C4' energy: -152.688 flat angles P-C4'-P energy: -78.143 tors. eta vs tors. theta energy: -118.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1584.384170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.384170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.384170 (E_RNA) where: Base-Base interactions energy: -975.551 where: short stacking energy: -462.170 Base-Backbone interact. energy: -0.929 local terms energy: -607.904596 where: bonds (distance) C4'-P energy: -126.418 bonds (distance) P-C4' energy: -137.013 flat angles C4'-P-C4' energy: -138.158 flat angles P-C4'-P energy: -95.315 tors. eta vs tors. theta energy: -111.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1456.894329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.894329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.894329 (E_RNA) where: Base-Base interactions energy: -909.368 where: short stacking energy: -405.356 Base-Backbone interact. energy: -3.648 local terms energy: -543.878753 where: bonds (distance) C4'-P energy: -115.882 bonds (distance) P-C4' energy: -134.966 flat angles C4'-P-C4' energy: -144.280 flat angles P-C4'-P energy: -63.636 tors. eta vs tors. theta energy: -85.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -892.038651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.038651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.038651 (E_RNA) where: Base-Base interactions energy: -436.786 where: short stacking energy: -257.069 Base-Backbone interact. energy: -0.019 local terms energy: -455.234104 where: bonds (distance) C4'-P energy: -126.938 bonds (distance) P-C4' energy: -143.375 flat angles C4'-P-C4' energy: -115.191 flat angles P-C4'-P energy: -68.455 tors. eta vs tors. theta energy: -1.276 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: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -722.072621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.072621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.072621 (E_RNA) where: Base-Base interactions energy: -315.859 where: short stacking energy: -186.693 Base-Backbone interact. energy: 1.209 local terms energy: -407.422471 where: bonds (distance) C4'-P energy: -120.381 bonds (distance) P-C4' energy: -129.565 flat angles C4'-P-C4' energy: -114.546 flat angles P-C4'-P energy: -49.066 tors. eta vs tors. theta energy: 6.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2856.332981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.332981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.332981 (E_RNA) where: Base-Base interactions energy: -1977.363 where: short stacking energy: -827.879 Base-Backbone interact. energy: -6.671 local terms energy: -872.298497 where: bonds (distance) C4'-P energy: -165.126 bonds (distance) P-C4' energy: -163.416 flat angles C4'-P-C4' energy: -182.932 flat angles P-C4'-P energy: -117.799 tors. eta vs tors. theta energy: -243.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2756.053982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.053982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.053982 (E_RNA) where: Base-Base interactions energy: -1887.486 where: short stacking energy: -792.084 Base-Backbone interact. energy: -3.132 local terms energy: -865.435648 where: bonds (distance) C4'-P energy: -149.982 bonds (distance) P-C4' energy: -165.707 flat angles C4'-P-C4' energy: -186.985 flat angles P-C4'-P energy: -122.726 tors. eta vs tors. theta energy: -240.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2647.630170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.630170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.630170 (E_RNA) where: Base-Base interactions energy: -1832.944 where: short stacking energy: -765.488 Base-Backbone interact. energy: 1.950 local terms energy: -816.635601 where: bonds (distance) C4'-P energy: -146.130 bonds (distance) P-C4' energy: -153.889 flat angles C4'-P-C4' energy: -178.517 flat angles P-C4'-P energy: -117.535 tors. eta vs tors. theta energy: -220.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2391.192397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.192397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.192397 (E_RNA) where: Base-Base interactions energy: -1591.229 where: short stacking energy: -682.234 Base-Backbone interact. energy: -2.699 local terms energy: -797.263832 where: bonds (distance) C4'-P energy: -146.793 bonds (distance) P-C4' energy: -165.650 flat angles C4'-P-C4' energy: -167.381 flat angles P-C4'-P energy: -116.868 tors. eta vs tors. theta energy: -200.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2275.483753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.483753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.483753 (E_RNA) where: Base-Base interactions energy: -1507.607 where: short stacking energy: -642.620 Base-Backbone interact. energy: -4.667 local terms energy: -763.210334 where: bonds (distance) C4'-P energy: -132.692 bonds (distance) P-C4' energy: -163.302 flat angles C4'-P-C4' energy: -166.219 flat angles P-C4'-P energy: -113.748 tors. eta vs tors. theta energy: -187.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1849.953663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.953663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.953663 (E_RNA) where: Base-Base interactions energy: -1166.835 where: short stacking energy: -527.811 Base-Backbone interact. energy: -2.472 local terms energy: -680.646692 where: bonds (distance) C4'-P energy: -125.234 bonds (distance) P-C4' energy: -158.540 flat angles C4'-P-C4' energy: -169.696 flat angles P-C4'-P energy: -102.088 tors. eta vs tors. theta energy: -125.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1536.501174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.501174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.501174 (E_RNA) where: Base-Base interactions energy: -945.325 where: short stacking energy: -433.456 Base-Backbone interact. energy: 0.312 local terms energy: -591.487578 where: bonds (distance) C4'-P energy: -124.876 bonds (distance) P-C4' energy: -154.611 flat angles C4'-P-C4' energy: -129.349 flat angles P-C4'-P energy: -91.965 tors. eta vs tors. theta energy: -90.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1513.625409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.625409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.625409 (E_RNA) where: Base-Base interactions energy: -928.559 where: short stacking energy: -417.669 Base-Backbone interact. energy: -2.090 local terms energy: -582.975732 where: bonds (distance) C4'-P energy: -132.471 bonds (distance) P-C4' energy: -151.871 flat angles C4'-P-C4' energy: -126.823 flat angles P-C4'-P energy: -88.101 tors. eta vs tors. theta energy: -83.710 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: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -853.037854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.037854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.037854 (E_RNA) where: Base-Base interactions energy: -418.934 where: short stacking energy: -266.887 Base-Backbone interact. energy: 8.901 local terms energy: -443.005739 where: bonds (distance) C4'-P energy: -122.004 bonds (distance) P-C4' energy: -128.849 flat angles C4'-P-C4' energy: -102.394 flat angles P-C4'-P energy: -75.629 tors. eta vs tors. theta energy: -14.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -710.913223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.913223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.913223 (E_RNA) where: Base-Base interactions energy: -285.415 where: short stacking energy: -212.125 Base-Backbone interact. energy: 3.186 local terms energy: -428.683544 where: bonds (distance) C4'-P energy: -143.755 bonds (distance) P-C4' energy: -127.698 flat angles C4'-P-C4' energy: -112.641 flat angles P-C4'-P energy: -49.699 tors. eta vs tors. theta energy: 5.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2855.617502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.617502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.617502 (E_RNA) where: Base-Base interactions energy: -1992.009 where: short stacking energy: -825.621 Base-Backbone interact. energy: -3.597 local terms energy: -860.010949 where: bonds (distance) C4'-P energy: -164.345 bonds (distance) P-C4' energy: -151.229 flat angles C4'-P-C4' energy: -189.861 flat angles P-C4'-P energy: -109.873 tors. eta vs tors. theta energy: -244.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2754.353102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.353102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.353102 (E_RNA) where: Base-Base interactions energy: -1900.593 where: short stacking energy: -791.358 Base-Backbone interact. energy: -1.264 local terms energy: -852.495947 where: bonds (distance) C4'-P energy: -143.944 bonds (distance) P-C4' energy: -156.660 flat angles C4'-P-C4' energy: -184.296 flat angles P-C4'-P energy: -127.737 tors. eta vs tors. theta energy: -239.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2660.096556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.096556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.096556 (E_RNA) where: Base-Base interactions energy: -1819.406 where: short stacking energy: -774.341 Base-Backbone interact. energy: -3.367 local terms energy: -837.322990 where: bonds (distance) C4'-P energy: -156.711 bonds (distance) P-C4' energy: -163.204 flat angles C4'-P-C4' energy: -170.384 flat angles P-C4'-P energy: -114.342 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: 4, replica: 10 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2439.651662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.651662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.651662 (E_RNA) where: Base-Base interactions energy: -1632.260 where: short stacking energy: -733.917 Base-Backbone interact. energy: 2.672 local terms energy: -810.062969 where: bonds (distance) C4'-P energy: -165.654 bonds (distance) P-C4' energy: -159.280 flat angles C4'-P-C4' energy: -182.006 flat angles P-C4'-P energy: -96.077 tors. eta vs tors. theta energy: -207.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2240.822395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.822395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.822395 (E_RNA) where: Base-Base interactions energy: -1495.224 where: short stacking energy: -650.807 Base-Backbone interact. energy: -0.649 local terms energy: -744.949374 where: bonds (distance) C4'-P energy: -143.582 bonds (distance) P-C4' energy: -168.038 flat angles C4'-P-C4' energy: -160.082 flat angles P-C4'-P energy: -106.164 tors. eta vs tors. theta energy: -167.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1816.262946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.262946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.262946 (E_RNA) where: Base-Base interactions energy: -1152.607 where: short stacking energy: -518.909 Base-Backbone interact. energy: 0.181 local terms energy: -663.837331 where: bonds (distance) C4'-P energy: -147.734 bonds (distance) P-C4' energy: -148.527 flat angles C4'-P-C4' energy: -156.088 flat angles P-C4'-P energy: -99.481 tors. eta vs tors. theta energy: -112.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1546.252902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.252902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.252902 (E_RNA) where: Base-Base interactions energy: -937.525 where: short stacking energy: -447.219 Base-Backbone interact. energy: -3.028 local terms energy: -605.699776 where: bonds (distance) C4'-P energy: -142.799 bonds (distance) P-C4' energy: -126.365 flat angles C4'-P-C4' energy: -147.694 flat angles P-C4'-P energy: -89.468 tors. eta vs tors. theta energy: -99.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1479.464909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.464909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.464909 (E_RNA) where: Base-Base interactions energy: -918.822 where: short stacking energy: -422.632 Base-Backbone interact. energy: -2.004 local terms energy: -558.639593 where: bonds (distance) C4'-P energy: -123.696 bonds (distance) P-C4' energy: -144.174 flat angles C4'-P-C4' energy: -137.142 flat angles P-C4'-P energy: -89.804 tors. eta vs tors. theta energy: -63.824 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: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -894.207145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.207145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.207145 (E_RNA) where: Base-Base interactions energy: -452.020 where: short stacking energy: -266.896 Base-Backbone interact. energy: 1.348 local terms energy: -443.534831 where: bonds (distance) C4'-P energy: -133.519 bonds (distance) P-C4' energy: -149.034 flat angles C4'-P-C4' energy: -115.893 flat angles P-C4'-P energy: -47.741 tors. eta vs tors. theta energy: 2.652 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: 6 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -753.786444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.786444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.786444 (E_RNA) where: Base-Base interactions energy: -355.427 where: short stacking energy: -208.852 Base-Backbone interact. energy: 1.358 local terms energy: -399.717416 where: bonds (distance) C4'-P energy: -119.470 bonds (distance) P-C4' energy: -123.337 flat angles C4'-P-C4' energy: -129.114 flat angles P-C4'-P energy: -80.795 tors. eta vs tors. theta energy: 52.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2859.092848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.092848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.092848 (E_RNA) where: Base-Base interactions energy: -1980.820 where: short stacking energy: -849.719 Base-Backbone interact. energy: 2.268 local terms energy: -880.540538 where: bonds (distance) C4'-P energy: -155.767 bonds (distance) P-C4' energy: -163.905 flat angles C4'-P-C4' energy: -188.369 flat angles P-C4'-P energy: -128.882 tors. eta vs tors. theta energy: -243.618 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: 1 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2782.242993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.242993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.242993 (E_RNA) where: Base-Base interactions energy: -1889.505 where: short stacking energy: -808.424 Base-Backbone interact. energy: -0.809 local terms energy: -891.929573 where: bonds (distance) C4'-P energy: -157.457 bonds (distance) P-C4' energy: -168.395 flat angles C4'-P-C4' energy: -197.067 flat angles P-C4'-P energy: -122.530 tors. eta vs tors. theta energy: -246.481 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: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2707.901583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.901583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.901583 (E_RNA) where: Base-Base interactions energy: -1864.951 where: short stacking energy: -803.279 Base-Backbone interact. energy: -3.143 local terms energy: -839.807413 where: bonds (distance) C4'-P energy: -153.486 bonds (distance) P-C4' energy: -165.485 flat angles C4'-P-C4' energy: -176.012 flat angles P-C4'-P energy: -103.450 tors. eta vs tors. theta energy: -241.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2397.706730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.706730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.706730 (E_RNA) where: Base-Base interactions energy: -1625.758 where: short stacking energy: -675.976 Base-Backbone interact. energy: -3.230 local terms energy: -768.718754 where: bonds (distance) C4'-P energy: -157.602 bonds (distance) P-C4' energy: -163.872 flat angles C4'-P-C4' energy: -165.334 flat angles P-C4'-P energy: -97.986 tors. eta vs tors. theta energy: -183.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2301.419364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.419364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.419364 (E_RNA) where: Base-Base interactions energy: -1541.956 where: short stacking energy: -654.587 Base-Backbone interact. energy: 7.086 local terms energy: -766.548764 where: bonds (distance) C4'-P energy: -154.546 bonds (distance) P-C4' energy: -161.879 flat angles C4'-P-C4' energy: -163.343 flat angles P-C4'-P energy: -101.697 tors. eta vs tors. theta energy: -185.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1860.651577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.651577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.651577 (E_RNA) where: Base-Base interactions energy: -1186.661 where: short stacking energy: -545.964 Base-Backbone interact. energy: -3.698 local terms energy: -670.292782 where: bonds (distance) C4'-P energy: -131.782 bonds (distance) P-C4' energy: -155.303 flat angles C4'-P-C4' energy: -169.602 flat angles P-C4'-P energy: -95.403 tors. eta vs tors. theta energy: -118.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1544.285002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.285002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.285002 (E_RNA) where: Base-Base interactions energy: -931.868 where: short stacking energy: -447.544 Base-Backbone interact. energy: -3.746 local terms energy: -608.670882 where: bonds (distance) C4'-P energy: -132.289 bonds (distance) P-C4' energy: -132.778 flat angles C4'-P-C4' energy: -150.359 flat angles P-C4'-P energy: -86.332 tors. eta vs tors. theta energy: -106.913 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: 4 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1525.283328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.283328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.283328 (E_RNA) where: Base-Base interactions energy: -932.338 where: short stacking energy: -415.953 Base-Backbone interact. energy: -4.826 local terms energy: -588.119062 where: bonds (distance) C4'-P energy: -137.607 bonds (distance) P-C4' energy: -137.959 flat angles C4'-P-C4' energy: -129.720 flat angles P-C4'-P energy: -96.725 tors. eta vs tors. theta energy: -86.108 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: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -921.144835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.144835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.144835 (E_RNA) where: Base-Base interactions energy: -473.133 where: short stacking energy: -278.139 Base-Backbone interact. energy: 9.561 local terms energy: -457.572603 where: bonds (distance) C4'-P energy: -125.430 bonds (distance) P-C4' energy: -140.548 flat angles C4'-P-C4' energy: -123.725 flat angles P-C4'-P energy: -59.402 tors. eta vs tors. theta energy: -8.469 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: 6 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -712.224880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.224880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.224880 (E_RNA) where: Base-Base interactions energy: -312.547 where: short stacking energy: -215.351 Base-Backbone interact. energy: -0.103 local terms energy: -399.574755 where: bonds (distance) C4'-P energy: -130.203 bonds (distance) P-C4' energy: -122.421 flat angles C4'-P-C4' energy: -108.617 flat angles P-C4'-P energy: -62.407 tors. eta vs tors. theta energy: 24.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2836.310581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.310581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.310581 (E_RNA) where: Base-Base interactions energy: -1956.772 where: short stacking energy: -816.130 Base-Backbone interact. energy: -3.301 local terms energy: -876.237995 where: bonds (distance) C4'-P energy: -172.555 bonds (distance) P-C4' energy: -174.264 flat angles C4'-P-C4' energy: -188.775 flat angles P-C4'-P energy: -105.415 tors. eta vs tors. theta energy: -235.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2749.905614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.905614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.905614 (E_RNA) where: Base-Base interactions energy: -1898.253 where: short stacking energy: -809.851 Base-Backbone interact. energy: -3.248 local terms energy: -848.404226 where: bonds (distance) C4'-P energy: -136.279 bonds (distance) P-C4' energy: -172.096 flat angles C4'-P-C4' energy: -173.078 flat angles P-C4'-P energy: -126.723 tors. eta vs tors. theta energy: -240.227 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: 1 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2701.798127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.798127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.798127 (E_RNA) where: Base-Base interactions energy: -1831.619 where: short stacking energy: -797.574 Base-Backbone interact. energy: 0.634 local terms energy: -870.813446 where: bonds (distance) C4'-P energy: -157.992 bonds (distance) P-C4' energy: -166.223 flat angles C4'-P-C4' energy: -177.541 flat angles P-C4'-P energy: -130.558 tors. eta vs tors. theta energy: -238.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2385.363962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.363962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.363962 (E_RNA) where: Base-Base interactions energy: -1603.882 where: short stacking energy: -713.101 Base-Backbone interact. energy: -3.594 local terms energy: -777.887567 where: bonds (distance) C4'-P energy: -131.752 bonds (distance) P-C4' energy: -156.768 flat angles C4'-P-C4' energy: -180.822 flat angles P-C4'-P energy: -102.806 tors. eta vs tors. theta energy: -205.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2314.625135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.625135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.625135 (E_RNA) where: Base-Base interactions energy: -1572.964 where: short stacking energy: -669.692 Base-Backbone interact. energy: -0.863 local terms energy: -740.798128 where: bonds (distance) C4'-P energy: -139.409 bonds (distance) P-C4' energy: -141.085 flat angles C4'-P-C4' energy: -172.188 flat angles P-C4'-P energy: -106.254 tors. eta vs tors. theta energy: -181.861 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: 5 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1851.944740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.944740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.944740 (E_RNA) where: Base-Base interactions energy: -1183.564 where: short stacking energy: -545.769 Base-Backbone interact. energy: -0.519 local terms energy: -667.862241 where: bonds (distance) C4'-P energy: -143.450 bonds (distance) P-C4' energy: -129.349 flat angles C4'-P-C4' energy: -161.960 flat angles P-C4'-P energy: -102.611 tors. eta vs tors. theta energy: -130.492 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: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1653.136217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.136217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.136217 (E_RNA) where: Base-Base interactions energy: -1060.833 where: short stacking energy: -486.615 Base-Backbone interact. energy: -3.575 local terms energy: -588.728441 where: bonds (distance) C4'-P energy: -127.998 bonds (distance) P-C4' energy: -150.147 flat angles C4'-P-C4' energy: -134.483 flat angles P-C4'-P energy: -93.630 tors. eta vs tors. theta energy: -82.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1526.681525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.681525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.681525 (E_RNA) where: Base-Base interactions energy: -945.717 where: short stacking energy: -423.128 Base-Backbone interact. energy: -3.282 local terms energy: -577.682879 where: bonds (distance) C4'-P energy: -137.451 bonds (distance) P-C4' energy: -130.579 flat angles C4'-P-C4' energy: -154.885 flat angles P-C4'-P energy: -68.934 tors. eta vs tors. theta energy: -85.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -927.949938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.949938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.949938 (E_RNA) where: Base-Base interactions energy: -446.090 where: short stacking energy: -258.397 Base-Backbone interact. energy: 2.190 local terms energy: -484.049897 where: bonds (distance) C4'-P energy: -127.282 bonds (distance) P-C4' energy: -146.756 flat angles C4'-P-C4' energy: -120.069 flat angles P-C4'-P energy: -79.491 tors. eta vs tors. theta energy: -10.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -710.362018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.362018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.362018 (E_RNA) where: Base-Base interactions energy: -289.903 where: short stacking energy: -186.246 Base-Backbone interact. energy: -0.092 local terms energy: -420.367401 where: bonds (distance) C4'-P energy: -144.610 bonds (distance) P-C4' energy: -122.281 flat angles C4'-P-C4' energy: -128.988 flat angles P-C4'-P energy: -55.412 tors. eta vs tors. theta energy: 30.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2877.554893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.554893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.554893 (E_RNA) where: Base-Base interactions energy: -1990.531 where: short stacking energy: -829.620 Base-Backbone interact. energy: -5.232 local terms energy: -881.791518 where: bonds (distance) C4'-P energy: -178.640 bonds (distance) P-C4' energy: -165.265 flat angles C4'-P-C4' energy: -184.681 flat angles P-C4'-P energy: -116.172 tors. eta vs tors. theta energy: -237.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2793.939066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.939066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.939066 (E_RNA) where: Base-Base interactions energy: -1925.422 where: short stacking energy: -790.396 Base-Backbone interact. energy: 2.604 local terms energy: -871.121613 where: bonds (distance) C4'-P energy: -150.642 bonds (distance) P-C4' energy: -167.173 flat angles C4'-P-C4' energy: -181.100 flat angles P-C4'-P energy: -125.367 tors. eta vs tors. theta energy: -246.839 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: 3, replica: 1 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2598.752406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.752406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.752406 (E_RNA) where: Base-Base interactions energy: -1764.726 where: short stacking energy: -757.819 Base-Backbone interact. energy: -3.053 local terms energy: -830.973488 where: bonds (distance) C4'-P energy: -163.402 bonds (distance) P-C4' energy: -155.045 flat angles C4'-P-C4' energy: -175.648 flat angles P-C4'-P energy: -124.096 tors. eta vs tors. theta energy: -212.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2424.725488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.725488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.725488 (E_RNA) where: Base-Base interactions energy: -1619.949 where: short stacking energy: -722.832 Base-Backbone interact. energy: -3.759 local terms energy: -801.018075 where: bonds (distance) C4'-P energy: -158.183 bonds (distance) P-C4' energy: -127.444 flat angles C4'-P-C4' energy: -184.043 flat angles P-C4'-P energy: -112.686 tors. eta vs tors. theta energy: -218.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2347.459430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.459430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.459430 (E_RNA) where: Base-Base interactions energy: -1596.311 where: short stacking energy: -669.327 Base-Backbone interact. energy: -0.533 local terms energy: -750.615682 where: bonds (distance) C4'-P energy: -149.940 bonds (distance) P-C4' energy: -155.907 flat angles C4'-P-C4' energy: -157.672 flat angles P-C4'-P energy: -100.818 tors. eta vs tors. theta energy: -186.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1926.475865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.475865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.475865 (E_RNA) where: Base-Base interactions energy: -1247.489 where: short stacking energy: -585.437 Base-Backbone interact. energy: -3.273 local terms energy: -675.714308 where: bonds (distance) C4'-P energy: -146.370 bonds (distance) P-C4' energy: -142.821 flat angles C4'-P-C4' energy: -171.037 flat angles P-C4'-P energy: -82.428 tors. eta vs tors. theta energy: -133.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1786.473009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.473009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.473009 (E_RNA) where: Base-Base interactions energy: -1143.032 where: short stacking energy: -527.829 Base-Backbone interact. energy: -4.945 local terms energy: -638.496128 where: bonds (distance) C4'-P energy: -130.890 bonds (distance) P-C4' energy: -139.881 flat angles C4'-P-C4' energy: -137.071 flat angles P-C4'-P energy: -101.922 tors. eta vs tors. theta energy: -128.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1465.539082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.539082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.539082 (E_RNA) where: Base-Base interactions energy: -906.636 where: short stacking energy: -422.632 Base-Backbone interact. energy: 4.180 local terms energy: -563.083356 where: bonds (distance) C4'-P energy: -133.909 bonds (distance) P-C4' energy: -154.033 flat angles C4'-P-C4' energy: -117.678 flat angles P-C4'-P energy: -83.741 tors. eta vs tors. theta energy: -73.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -892.611356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.611356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.611356 (E_RNA) where: Base-Base interactions energy: -442.254 where: short stacking energy: -249.013 Base-Backbone interact. energy: -1.201 local terms energy: -449.156311 where: bonds (distance) C4'-P energy: -132.028 bonds (distance) P-C4' energy: -120.285 flat angles C4'-P-C4' energy: -137.939 flat angles P-C4'-P energy: -59.661 tors. eta vs tors. theta energy: 0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -692.738369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.738369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.738369 (E_RNA) where: Base-Base interactions energy: -271.022 where: short stacking energy: -177.191 Base-Backbone interact. energy: 0.769 local terms energy: -422.485822 where: bonds (distance) C4'-P energy: -147.570 bonds (distance) P-C4' energy: -138.267 flat angles C4'-P-C4' energy: -85.661 flat angles P-C4'-P energy: -66.776 tors. eta vs tors. theta energy: 15.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2855.408585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.408585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.408585 (E_RNA) where: Base-Base interactions energy: -1984.259 where: short stacking energy: -816.269 Base-Backbone interact. energy: 3.566 local terms energy: -874.715986 where: bonds (distance) C4'-P energy: -164.457 bonds (distance) P-C4' energy: -163.835 flat angles C4'-P-C4' energy: -189.051 flat angles P-C4'-P energy: -122.829 tors. eta vs tors. theta energy: -234.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2773.267638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.267638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.267638 (E_RNA) where: Base-Base interactions energy: -1934.103 where: short stacking energy: -817.715 Base-Backbone interact. energy: -3.773 local terms energy: -835.391580 where: bonds (distance) C4'-P energy: -151.801 bonds (distance) P-C4' energy: -150.761 flat angles C4'-P-C4' energy: -181.908 flat angles P-C4'-P energy: -120.647 tors. eta vs tors. theta energy: -230.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2628.681785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.681785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.681785 (E_RNA) where: Base-Base interactions energy: -1776.900 where: short stacking energy: -767.541 Base-Backbone interact. energy: -3.569 local terms energy: -848.212847 where: bonds (distance) C4'-P energy: -149.681 bonds (distance) P-C4' energy: -160.516 flat angles C4'-P-C4' energy: -183.293 flat angles P-C4'-P energy: -120.688 tors. eta vs tors. theta energy: -234.034 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: 10 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2405.777497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.777497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.777497 (E_RNA) where: Base-Base interactions energy: -1614.876 where: short stacking energy: -709.547 Base-Backbone interact. energy: 0.104 local terms energy: -791.006001 where: bonds (distance) C4'-P energy: -158.038 bonds (distance) P-C4' energy: -138.442 flat angles C4'-P-C4' energy: -168.085 flat angles P-C4'-P energy: -119.436 tors. eta vs tors. theta energy: -207.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2340.227068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.227068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.227068 (E_RNA) where: Base-Base interactions energy: -1590.899 where: short stacking energy: -687.571 Base-Backbone interact. energy: -3.777 local terms energy: -745.551515 where: bonds (distance) C4'-P energy: -149.413 bonds (distance) P-C4' energy: -142.536 flat angles C4'-P-C4' energy: -159.789 flat angles P-C4'-P energy: -102.581 tors. eta vs tors. theta energy: -191.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1913.884889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.884889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.884889 (E_RNA) where: Base-Base interactions energy: -1237.541 where: short stacking energy: -560.535 Base-Backbone interact. energy: -4.041 local terms energy: -672.302914 where: bonds (distance) C4'-P energy: -126.113 bonds (distance) P-C4' energy: -145.418 flat angles C4'-P-C4' energy: -160.549 flat angles P-C4'-P energy: -112.073 tors. eta vs tors. theta energy: -128.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1664.124143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.124143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.124143 (E_RNA) where: Base-Base interactions energy: -1071.235 where: short stacking energy: -480.501 Base-Backbone interact. energy: -1.502 local terms energy: -591.387607 where: bonds (distance) C4'-P energy: -132.621 bonds (distance) P-C4' energy: -157.570 flat angles C4'-P-C4' energy: -125.881 flat angles P-C4'-P energy: -70.235 tors. eta vs tors. theta energy: -105.081 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: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1453.814009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.814009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.814009 (E_RNA) where: Base-Base interactions energy: -898.430 where: short stacking energy: -398.965 Base-Backbone interact. energy: -1.968 local terms energy: -553.416830 where: bonds (distance) C4'-P energy: -131.864 bonds (distance) P-C4' energy: -128.011 flat angles C4'-P-C4' energy: -136.257 flat angles P-C4'-P energy: -77.890 tors. eta vs tors. theta energy: -79.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -844.253599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.253599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.253599 (E_RNA) where: Base-Base interactions energy: -424.212 where: short stacking energy: -247.063 Base-Backbone interact. energy: -2.646 local terms energy: -417.395348 where: bonds (distance) C4'-P energy: -133.115 bonds (distance) P-C4' energy: -120.244 flat angles C4'-P-C4' energy: -123.478 flat angles P-C4'-P energy: -70.506 tors. eta vs tors. theta energy: 29.949 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: 10, replica: 6 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -721.633605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.633605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.633605 (E_RNA) where: Base-Base interactions energy: -337.779 where: short stacking energy: -188.437 Base-Backbone interact. energy: 1.515 local terms energy: -385.369356 where: bonds (distance) C4'-P energy: -114.386 bonds (distance) P-C4' energy: -141.014 flat angles C4'-P-C4' energy: -125.560 flat angles P-C4'-P energy: -38.112 tors. eta vs tors. theta energy: 33.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2861.111810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.111810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.111810 (E_RNA) where: Base-Base interactions energy: -1977.632 where: short stacking energy: -817.845 Base-Backbone interact. energy: -6.012 local terms energy: -877.467875 where: bonds (distance) C4'-P energy: -158.731 bonds (distance) P-C4' energy: -170.936 flat angles C4'-P-C4' energy: -189.928 flat angles P-C4'-P energy: -129.147 tors. eta vs tors. theta energy: -228.725 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: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2805.089293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.089293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.089293 (E_RNA) where: Base-Base interactions energy: -1944.241 where: short stacking energy: -808.890 Base-Backbone interact. energy: -2.698 local terms energy: -858.149924 where: bonds (distance) C4'-P energy: -156.197 bonds (distance) P-C4' energy: -162.502 flat angles C4'-P-C4' energy: -185.185 flat angles P-C4'-P energy: -111.487 tors. eta vs tors. theta energy: -242.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2586.272825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.272825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.272825 (E_RNA) where: Base-Base interactions energy: -1756.553 where: short stacking energy: -730.049 Base-Backbone interact. energy: -4.070 local terms energy: -825.649685 where: bonds (distance) C4'-P energy: -148.658 bonds (distance) P-C4' energy: -163.942 flat angles C4'-P-C4' energy: -183.171 flat angles P-C4'-P energy: -109.866 tors. eta vs tors. theta energy: -220.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2385.846928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.846928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.846928 (E_RNA) where: Base-Base interactions energy: -1591.510 where: short stacking energy: -707.386 Base-Backbone interact. energy: -1.056 local terms energy: -793.280908 where: bonds (distance) C4'-P energy: -161.970 bonds (distance) P-C4' energy: -152.620 flat angles C4'-P-C4' energy: -175.551 flat angles P-C4'-P energy: -106.293 tors. eta vs tors. theta energy: -196.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2381.258598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.258598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.258598 (E_RNA) where: Base-Base interactions energy: -1639.195 where: short stacking energy: -713.397 Base-Backbone interact. energy: -1.402 local terms energy: -740.661104 where: bonds (distance) C4'-P energy: -110.448 bonds (distance) P-C4' energy: -151.520 flat angles C4'-P-C4' energy: -167.640 flat angles P-C4'-P energy: -114.509 tors. eta vs tors. theta energy: -196.545 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: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1914.031595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.031595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.031595 (E_RNA) where: Base-Base interactions energy: -1205.704 where: short stacking energy: -549.033 Base-Backbone interact. energy: 2.682 local terms energy: -711.008946 where: bonds (distance) C4'-P energy: -141.868 bonds (distance) P-C4' energy: -159.302 flat angles C4'-P-C4' energy: -175.268 flat angles P-C4'-P energy: -92.644 tors. eta vs tors. theta energy: -141.928 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: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1639.699721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.699721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.699721 (E_RNA) where: Base-Base interactions energy: -1022.925 where: short stacking energy: -469.000 Base-Backbone interact. energy: -2.246 local terms energy: -614.528563 where: bonds (distance) C4'-P energy: -137.518 bonds (distance) P-C4' energy: -150.534 flat angles C4'-P-C4' energy: -125.077 flat angles P-C4'-P energy: -100.338 tors. eta vs tors. theta energy: -101.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1451.967651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.967651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.967651 (E_RNA) where: Base-Base interactions energy: -875.083 where: short stacking energy: -411.914 Base-Backbone interact. energy: 5.747 local terms energy: -582.631902 where: bonds (distance) C4'-P energy: -135.030 bonds (distance) P-C4' energy: -146.415 flat angles C4'-P-C4' energy: -146.008 flat angles P-C4'-P energy: -90.501 tors. eta vs tors. theta energy: -64.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -877.193225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.193225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.193225 (E_RNA) where: Base-Base interactions energy: -430.697 where: short stacking energy: -258.546 Base-Backbone interact. energy: 6.396 local terms energy: -452.892455 where: bonds (distance) C4'-P energy: -134.479 bonds (distance) P-C4' energy: -144.199 flat angles C4'-P-C4' energy: -113.013 flat angles P-C4'-P energy: -66.405 tors. eta vs tors. theta energy: 5.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -697.956031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.956031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.956031 (E_RNA) where: Base-Base interactions energy: -276.287 where: short stacking energy: -181.724 Base-Backbone interact. energy: 8.676 local terms energy: -430.344484 where: bonds (distance) C4'-P energy: -131.183 bonds (distance) P-C4' energy: -156.413 flat angles C4'-P-C4' energy: -123.425 flat angles P-C4'-P energy: -67.938 tors. eta vs tors. theta energy: 48.614 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: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2888.737612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.737612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.737612 (E_RNA) where: Base-Base interactions energy: -2008.067 where: short stacking energy: -859.977 Base-Backbone interact. energy: -10.534 local terms energy: -870.135888 where: bonds (distance) C4'-P energy: -165.554 bonds (distance) P-C4' energy: -138.986 flat angles C4'-P-C4' energy: -190.072 flat angles P-C4'-P energy: -128.789 tors. eta vs tors. theta energy: -246.734 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: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2801.242290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.242290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.242290 (E_RNA) where: Base-Base interactions energy: -1927.642 where: short stacking energy: -800.515 Base-Backbone interact. energy: -0.881 local terms energy: -872.719649 where: bonds (distance) C4'-P energy: -162.185 bonds (distance) P-C4' energy: -150.224 flat angles C4'-P-C4' energy: -195.600 flat angles P-C4'-P energy: -130.681 tors. eta vs tors. theta energy: -234.030 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: 1 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2625.053442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.053442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.053442 (E_RNA) where: Base-Base interactions energy: -1821.296 where: short stacking energy: -780.994 Base-Backbone interact. energy: -1.743 local terms energy: -802.013735 where: bonds (distance) C4'-P energy: -135.363 bonds (distance) P-C4' energy: -155.006 flat angles C4'-P-C4' energy: -178.348 flat angles P-C4'-P energy: -107.468 tors. eta vs tors. theta energy: -225.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2390.607670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.607670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.607670 (E_RNA) where: Base-Base interactions energy: -1607.589 where: short stacking energy: -701.361 Base-Backbone interact. energy: -2.716 local terms energy: -780.302680 where: bonds (distance) C4'-P energy: -156.144 bonds (distance) P-C4' energy: -154.938 flat angles C4'-P-C4' energy: -169.981 flat angles P-C4'-P energy: -99.796 tors. eta vs tors. theta energy: -199.444 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: 5, replica: 10 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2360.965562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.965562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.965562 (E_RNA) where: Base-Base interactions energy: -1583.970 where: short stacking energy: -712.773 Base-Backbone interact. energy: -1.738 local terms energy: -775.257716 where: bonds (distance) C4'-P energy: -149.527 bonds (distance) P-C4' energy: -142.905 flat angles C4'-P-C4' energy: -178.573 flat angles P-C4'-P energy: -95.191 tors. eta vs tors. theta energy: -209.062 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: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1912.479455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.479455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.479455 (E_RNA) where: Base-Base interactions energy: -1257.349 where: short stacking energy: -571.679 Base-Backbone interact. energy: -0.348 local terms energy: -654.782147 where: bonds (distance) C4'-P energy: -136.323 bonds (distance) P-C4' energy: -155.550 flat angles C4'-P-C4' energy: -158.113 flat angles P-C4'-P energy: -85.360 tors. eta vs tors. theta energy: -119.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1609.593100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.593100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.593100 (E_RNA) where: Base-Base interactions energy: -998.899 where: short stacking energy: -481.215 Base-Backbone interact. energy: 12.807 local terms energy: -623.501011 where: bonds (distance) C4'-P energy: -149.228 bonds (distance) P-C4' energy: -131.508 flat angles C4'-P-C4' energy: -145.573 flat angles P-C4'-P energy: -99.041 tors. eta vs tors. theta energy: -98.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1509.601044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.601044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.601044 (E_RNA) where: Base-Base interactions energy: -944.849 where: short stacking energy: -431.453 Base-Backbone interact. energy: 3.226 local terms energy: -567.978116 where: bonds (distance) C4'-P energy: -143.704 bonds (distance) P-C4' energy: -136.144 flat angles C4'-P-C4' energy: -134.275 flat angles P-C4'-P energy: -87.311 tors. eta vs tors. theta energy: -66.544 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: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -891.479330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.479330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.479330 (E_RNA) where: Base-Base interactions energy: -433.915 where: short stacking energy: -268.551 Base-Backbone interact. energy: -5.042 local terms energy: -452.522033 where: bonds (distance) C4'-P energy: -127.699 bonds (distance) P-C4' energy: -132.161 flat angles C4'-P-C4' energy: -109.749 flat angles P-C4'-P energy: -75.765 tors. eta vs tors. theta energy: -7.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -699.185524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.185524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.185524 (E_RNA) where: Base-Base interactions energy: -260.001 where: short stacking energy: -186.879 Base-Backbone interact. energy: 4.822 local terms energy: -444.006134 where: bonds (distance) C4'-P energy: -137.504 bonds (distance) P-C4' energy: -134.614 flat angles C4'-P-C4' energy: -120.688 flat angles P-C4'-P energy: -81.749 tors. eta vs tors. theta energy: 30.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2863.538571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.538571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.538571 (E_RNA) where: Base-Base interactions energy: -1964.139 where: short stacking energy: -840.938 Base-Backbone interact. energy: -3.703 local terms energy: -895.695747 where: bonds (distance) C4'-P energy: -166.681 bonds (distance) P-C4' energy: -160.934 flat angles C4'-P-C4' energy: -191.201 flat angles P-C4'-P energy: -131.763 tors. eta vs tors. theta energy: -245.116 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: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2767.363932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.363932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.363932 (E_RNA) where: Base-Base interactions energy: -1918.165 where: short stacking energy: -770.262 Base-Backbone interact. energy: -1.411 local terms energy: -847.787101 where: bonds (distance) C4'-P energy: -155.073 bonds (distance) P-C4' energy: -171.435 flat angles C4'-P-C4' energy: -180.313 flat angles P-C4'-P energy: -117.990 tors. eta vs tors. theta energy: -222.976 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: 1 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2634.052733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.052733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.052733 (E_RNA) where: Base-Base interactions energy: -1813.282 where: short stacking energy: -758.755 Base-Backbone interact. energy: -1.378 local terms energy: -819.392935 where: bonds (distance) C4'-P energy: -152.867 bonds (distance) P-C4' energy: -147.331 flat angles C4'-P-C4' energy: -174.212 flat angles P-C4'-P energy: -118.164 tors. eta vs tors. theta energy: -226.820 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: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2473.391854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.391854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.391854 (E_RNA) where: Base-Base interactions energy: -1693.519 where: short stacking energy: -718.699 Base-Backbone interact. energy: -3.634 local terms energy: -776.238435 where: bonds (distance) C4'-P energy: -147.461 bonds (distance) P-C4' energy: -139.064 flat angles C4'-P-C4' energy: -168.599 flat angles P-C4'-P energy: -104.426 tors. eta vs tors. theta energy: -216.688 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: 10 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2326.162288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.162288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.162288 (E_RNA) where: Base-Base interactions energy: -1561.808 where: short stacking energy: -678.437 Base-Backbone interact. energy: -1.902 local terms energy: -762.451624 where: bonds (distance) C4'-P energy: -156.138 bonds (distance) P-C4' energy: -154.291 flat angles C4'-P-C4' energy: -169.239 flat angles P-C4'-P energy: -94.399 tors. eta vs tors. theta energy: -188.385 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: 6, replica: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1879.887035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.887035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.887035 (E_RNA) where: Base-Base interactions energy: -1212.668 where: short stacking energy: -564.449 Base-Backbone interact. energy: -2.942 local terms energy: -664.277253 where: bonds (distance) C4'-P energy: -124.347 bonds (distance) P-C4' energy: -153.046 flat angles C4'-P-C4' energy: -174.626 flat angles P-C4'-P energy: -90.482 tors. eta vs tors. theta energy: -121.777 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: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1587.734851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.734851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.734851 (E_RNA) where: Base-Base interactions energy: -972.881 where: short stacking energy: -438.585 Base-Backbone interact. energy: -3.914 local terms energy: -610.940207 where: bonds (distance) C4'-P energy: -134.369 bonds (distance) P-C4' energy: -161.490 flat angles C4'-P-C4' energy: -142.301 flat angles P-C4'-P energy: -80.386 tors. eta vs tors. theta energy: -92.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1427.521375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.521375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.521375 (E_RNA) where: Base-Base interactions energy: -889.251 where: short stacking energy: -410.055 Base-Backbone interact. energy: -2.365 local terms energy: -535.905900 where: bonds (distance) C4'-P energy: -116.600 bonds (distance) P-C4' energy: -140.669 flat angles C4'-P-C4' energy: -122.952 flat angles P-C4'-P energy: -91.480 tors. eta vs tors. theta energy: -64.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -925.576457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.576457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.576457 (E_RNA) where: Base-Base interactions energy: -445.823 where: short stacking energy: -261.701 Base-Backbone interact. energy: -2.806 local terms energy: -476.946833 where: bonds (distance) C4'-P energy: -135.511 bonds (distance) P-C4' energy: -140.989 flat angles C4'-P-C4' energy: -124.275 flat angles P-C4'-P energy: -74.260 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -737.608589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.608589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.608589 (E_RNA) where: Base-Base interactions energy: -323.984 where: short stacking energy: -210.675 Base-Backbone interact. energy: 1.519 local terms energy: -415.143968 where: bonds (distance) C4'-P energy: -117.263 bonds (distance) P-C4' energy: -137.221 flat angles C4'-P-C4' energy: -109.386 flat angles P-C4'-P energy: -61.570 tors. eta vs tors. theta energy: 10.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2854.085545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.085545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.085545 (E_RNA) where: Base-Base interactions energy: -1966.404 where: short stacking energy: -823.827 Base-Backbone interact. energy: -3.479 local terms energy: -884.203495 where: bonds (distance) C4'-P energy: -174.834 bonds (distance) P-C4' energy: -151.405 flat angles C4'-P-C4' energy: -185.949 flat angles P-C4'-P energy: -129.623 tors. eta vs tors. theta energy: -242.393 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: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2772.611066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.611066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.611066 (E_RNA) where: Base-Base interactions energy: -1918.228 where: short stacking energy: -790.837 Base-Backbone interact. energy: -4.842 local terms energy: -849.540672 where: bonds (distance) C4'-P energy: -160.144 bonds (distance) P-C4' energy: -148.089 flat angles C4'-P-C4' energy: -184.142 flat angles P-C4'-P energy: -125.478 tors. eta vs tors. theta energy: -231.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2682.279682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.279682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.279682 (E_RNA) where: Base-Base interactions energy: -1845.729 where: short stacking energy: -796.231 Base-Backbone interact. energy: -1.177 local terms energy: -835.373788 where: bonds (distance) C4'-P energy: -151.896 bonds (distance) P-C4' energy: -138.112 flat angles C4'-P-C4' energy: -178.695 flat angles P-C4'-P energy: -128.586 tors. eta vs tors. theta energy: -238.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2437.456361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.456361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.456361 (E_RNA) where: Base-Base interactions energy: -1652.551 where: short stacking energy: -703.337 Base-Backbone interact. energy: 5.403 local terms energy: -790.308403 where: bonds (distance) C4'-P energy: -160.352 bonds (distance) P-C4' energy: -142.180 flat angles C4'-P-C4' energy: -165.487 flat angles P-C4'-P energy: -114.406 tors. eta vs tors. theta energy: -207.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2326.681651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.681651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.681651 (E_RNA) where: Base-Base interactions energy: -1584.841 where: short stacking energy: -680.599 Base-Backbone interact. energy: -3.407 local terms energy: -738.434260 where: bonds (distance) C4'-P energy: -137.047 bonds (distance) P-C4' energy: -158.964 flat angles C4'-P-C4' energy: -159.035 flat angles P-C4'-P energy: -102.506 tors. eta vs tors. theta energy: -180.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1906.135743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.135743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.135743 (E_RNA) where: Base-Base interactions energy: -1256.181 where: short stacking energy: -553.699 Base-Backbone interact. energy: -0.456 local terms energy: -649.499192 where: bonds (distance) C4'-P energy: -127.957 bonds (distance) P-C4' energy: -148.911 flat angles C4'-P-C4' energy: -165.925 flat angles P-C4'-P energy: -82.601 tors. eta vs tors. theta energy: -124.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1612.098687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.098687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.098687 (E_RNA) where: Base-Base interactions energy: -990.918 where: short stacking energy: -431.690 Base-Backbone interact. energy: -1.320 local terms energy: -619.860630 where: bonds (distance) C4'-P energy: -141.182 bonds (distance) P-C4' energy: -155.961 flat angles C4'-P-C4' energy: -147.106 flat angles P-C4'-P energy: -91.620 tors. eta vs tors. theta energy: -83.991 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: 4 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1445.833763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.833763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.833763 (E_RNA) where: Base-Base interactions energy: -857.708 where: short stacking energy: -373.207 Base-Backbone interact. energy: -2.699 local terms energy: -585.426406 where: bonds (distance) C4'-P energy: -144.177 bonds (distance) P-C4' energy: -131.168 flat angles C4'-P-C4' energy: -150.055 flat angles P-C4'-P energy: -91.702 tors. eta vs tors. theta energy: -68.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -928.199649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.199649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.199649 (E_RNA) where: Base-Base interactions energy: -469.096 where: short stacking energy: -292.883 Base-Backbone interact. energy: -1.655 local terms energy: -457.448002 where: bonds (distance) C4'-P energy: -106.406 bonds (distance) P-C4' energy: -135.190 flat angles C4'-P-C4' energy: -113.292 flat angles P-C4'-P energy: -63.671 tors. eta vs tors. theta energy: -38.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -757.406814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.406814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.406814 (E_RNA) where: Base-Base interactions energy: -345.491 where: short stacking energy: -234.558 Base-Backbone interact. energy: -0.498 local terms energy: -411.418413 where: bonds (distance) C4'-P energy: -122.852 bonds (distance) P-C4' energy: -127.573 flat angles C4'-P-C4' energy: -118.850 flat angles P-C4'-P energy: -54.374 tors. eta vs tors. theta energy: 12.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2864.348955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.348955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.348955 (E_RNA) where: Base-Base interactions energy: -1974.711 where: short stacking energy: -831.811 Base-Backbone interact. energy: -1.802 local terms energy: -887.836265 where: bonds (distance) C4'-P energy: -161.367 bonds (distance) P-C4' energy: -174.471 flat angles C4'-P-C4' energy: -188.747 flat angles P-C4'-P energy: -127.720 tors. eta vs tors. theta energy: -235.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2801.955027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.955027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.955027 (E_RNA) where: Base-Base interactions energy: -1973.907 where: short stacking energy: -816.663 Base-Backbone interact. energy: 0.320 local terms energy: -828.367974 where: bonds (distance) C4'-P energy: -163.817 bonds (distance) P-C4' energy: -153.142 flat angles C4'-P-C4' energy: -164.380 flat angles P-C4'-P energy: -111.138 tors. eta vs tors. theta energy: -235.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2683.465555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.465555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.465555 (E_RNA) where: Base-Base interactions energy: -1827.476 where: short stacking energy: -751.104 Base-Backbone interact. energy: -5.661 local terms energy: -850.327928 where: bonds (distance) C4'-P energy: -145.608 bonds (distance) P-C4' energy: -163.871 flat angles C4'-P-C4' energy: -198.927 flat angles P-C4'-P energy: -115.907 tors. eta vs tors. theta energy: -226.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2438.622015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.622015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.622015 (E_RNA) where: Base-Base interactions energy: -1659.265 where: short stacking energy: -702.749 Base-Backbone interact. energy: -0.869 local terms energy: -778.488258 where: bonds (distance) C4'-P energy: -123.493 bonds (distance) P-C4' energy: -150.891 flat angles C4'-P-C4' energy: -174.844 flat angles P-C4'-P energy: -118.724 tors. eta vs tors. theta energy: -210.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2281.871606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.871606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.871606 (E_RNA) where: Base-Base interactions energy: -1534.007 where: short stacking energy: -666.688 Base-Backbone interact. energy: -0.389 local terms energy: -747.475872 where: bonds (distance) C4'-P energy: -146.717 bonds (distance) P-C4' energy: -157.905 flat angles C4'-P-C4' energy: -161.290 flat angles P-C4'-P energy: -104.558 tors. eta vs tors. theta energy: -177.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1924.338245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.338245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.338245 (E_RNA) where: Base-Base interactions energy: -1247.709 where: short stacking energy: -581.215 Base-Backbone interact. energy: -5.209 local terms energy: -671.419432 where: bonds (distance) C4'-P energy: -136.243 bonds (distance) P-C4' energy: -139.379 flat angles C4'-P-C4' energy: -156.066 flat angles P-C4'-P energy: -108.573 tors. eta vs tors. theta energy: -131.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1660.101588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.101588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.101588 (E_RNA) where: Base-Base interactions energy: -1076.727 where: short stacking energy: -490.825 Base-Backbone interact. energy: -1.952 local terms energy: -581.422792 where: bonds (distance) C4'-P energy: -126.747 bonds (distance) P-C4' energy: -134.491 flat angles C4'-P-C4' energy: -140.039 flat angles P-C4'-P energy: -84.856 tors. eta vs tors. theta energy: -95.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1528.321680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.321680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.321680 (E_RNA) where: Base-Base interactions energy: -939.198 where: short stacking energy: -442.026 Base-Backbone interact. energy: 1.760 local terms energy: -590.883672 where: bonds (distance) C4'-P energy: -152.823 bonds (distance) P-C4' energy: -131.508 flat angles C4'-P-C4' energy: -136.152 flat angles P-C4'-P energy: -91.742 tors. eta vs tors. theta energy: -78.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -883.053370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.053370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.053370 (E_RNA) where: Base-Base interactions energy: -445.391 where: short stacking energy: -288.597 Base-Backbone interact. energy: 1.935 local terms energy: -439.597179 where: bonds (distance) C4'-P energy: -118.353 bonds (distance) P-C4' energy: -137.191 flat angles C4'-P-C4' energy: -116.530 flat angles P-C4'-P energy: -61.356 tors. eta vs tors. theta energy: -6.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -718.504247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.504247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.504247 (E_RNA) where: Base-Base interactions energy: -294.769 where: short stacking energy: -196.995 Base-Backbone interact. energy: 2.589 local terms energy: -426.324519 where: bonds (distance) C4'-P energy: -124.456 bonds (distance) P-C4' energy: -129.834 flat angles C4'-P-C4' energy: -108.877 flat angles P-C4'-P energy: -89.357 tors. eta vs tors. theta energy: 26.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2871.830197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.830197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.830197 (E_RNA) where: Base-Base interactions energy: -1975.571 where: short stacking energy: -848.533 Base-Backbone interact. energy: -4.397 local terms energy: -891.861574 where: bonds (distance) C4'-P energy: -165.298 bonds (distance) P-C4' energy: -178.443 flat angles C4'-P-C4' energy: -178.029 flat angles P-C4'-P energy: -129.321 tors. eta vs tors. theta energy: -240.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2807.621433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.621433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.621433 (E_RNA) where: Base-Base interactions energy: -1931.187 where: short stacking energy: -799.518 Base-Backbone interact. energy: -4.787 local terms energy: -871.647396 where: bonds (distance) C4'-P energy: -161.068 bonds (distance) P-C4' energy: -168.624 flat angles C4'-P-C4' energy: -178.725 flat angles P-C4'-P energy: -110.660 tors. eta vs tors. theta energy: -252.570 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: 1 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2682.765768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.765768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.765768 (E_RNA) where: Base-Base interactions energy: -1836.788 where: short stacking energy: -758.367 Base-Backbone interact. energy: -2.550 local terms energy: -843.427775 where: bonds (distance) C4'-P energy: -141.010 bonds (distance) P-C4' energy: -168.059 flat angles C4'-P-C4' energy: -188.368 flat angles P-C4'-P energy: -107.074 tors. eta vs tors. theta energy: -238.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2429.482240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.482240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.482240 (E_RNA) where: Base-Base interactions energy: -1635.505 where: short stacking energy: -717.612 Base-Backbone interact. energy: -1.502 local terms energy: -792.475614 where: bonds (distance) C4'-P energy: -144.690 bonds (distance) P-C4' energy: -164.808 flat angles C4'-P-C4' energy: -162.418 flat angles P-C4'-P energy: -118.842 tors. eta vs tors. theta energy: -201.718 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: 5, replica: 10 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2310.702084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.702084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.702084 (E_RNA) where: Base-Base interactions energy: -1578.072 where: short stacking energy: -670.187 Base-Backbone interact. energy: -4.478 local terms energy: -728.152471 where: bonds (distance) C4'-P energy: -142.117 bonds (distance) P-C4' energy: -134.570 flat angles C4'-P-C4' energy: -165.632 flat angles P-C4'-P energy: -110.816 tors. eta vs tors. theta energy: -175.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1857.929647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.929647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.929647 (E_RNA) where: Base-Base interactions energy: -1221.885 where: short stacking energy: -588.025 Base-Backbone interact. energy: 0.377 local terms energy: -636.422308 where: bonds (distance) C4'-P energy: -130.869 bonds (distance) P-C4' energy: -140.388 flat angles C4'-P-C4' energy: -149.247 flat angles P-C4'-P energy: -85.340 tors. eta vs tors. theta energy: -130.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1653.108104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.108104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.108104 (E_RNA) where: Base-Base interactions energy: -1043.429 where: short stacking energy: -467.661 Base-Backbone interact. energy: -2.063 local terms energy: -607.616775 where: bonds (distance) C4'-P energy: -118.732 bonds (distance) P-C4' energy: -143.380 flat angles C4'-P-C4' energy: -151.279 flat angles P-C4'-P energy: -89.665 tors. eta vs tors. theta energy: -104.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1467.748320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.748320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.748320 (E_RNA) where: Base-Base interactions energy: -895.483 where: short stacking energy: -407.621 Base-Backbone interact. energy: -0.209 local terms energy: -572.056172 where: bonds (distance) C4'-P energy: -127.004 bonds (distance) P-C4' energy: -147.790 flat angles C4'-P-C4' energy: -143.901 flat angles P-C4'-P energy: -87.538 tors. eta vs tors. theta energy: -65.824 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: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -980.378667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.378667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.378667 (E_RNA) where: Base-Base interactions energy: -500.059 where: short stacking energy: -283.493 Base-Backbone interact. energy: 8.071 local terms energy: -488.390448 where: bonds (distance) C4'-P energy: -138.922 bonds (distance) P-C4' energy: -142.585 flat angles C4'-P-C4' energy: -121.589 flat angles P-C4'-P energy: -69.403 tors. eta vs tors. theta energy: -15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -742.166668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.166668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.166668 (E_RNA) where: Base-Base interactions energy: -308.000 where: short stacking energy: -183.576 Base-Backbone interact. energy: -2.066 local terms energy: -432.101477 where: bonds (distance) C4'-P energy: -126.849 bonds (distance) P-C4' energy: -150.493 flat angles C4'-P-C4' energy: -122.934 flat angles P-C4'-P energy: -62.216 tors. eta vs tors. theta energy: 30.390 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: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2849.454310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.454310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.454310 (E_RNA) where: Base-Base interactions energy: -1951.005 where: short stacking energy: -799.013 Base-Backbone interact. energy: -4.065 local terms energy: -894.384366 where: bonds (distance) C4'-P energy: -164.656 bonds (distance) P-C4' energy: -168.159 flat angles C4'-P-C4' energy: -188.837 flat angles P-C4'-P energy: -139.257 tors. eta vs tors. theta energy: -233.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2823.841937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.841937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.841937 (E_RNA) where: Base-Base interactions energy: -1934.459 where: short stacking energy: -836.244 Base-Backbone interact. energy: -5.213 local terms energy: -884.170358 where: bonds (distance) C4'-P energy: -176.858 bonds (distance) P-C4' energy: -140.518 flat angles C4'-P-C4' energy: -191.081 flat angles P-C4'-P energy: -132.603 tors. eta vs tors. theta energy: -243.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2676.568803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.568803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.568803 (E_RNA) where: Base-Base interactions energy: -1838.872 where: short stacking energy: -783.039 Base-Backbone interact. energy: 0.688 local terms energy: -838.384856 where: bonds (distance) C4'-P energy: -165.519 bonds (distance) P-C4' energy: -158.634 flat angles C4'-P-C4' energy: -178.473 flat angles P-C4'-P energy: -118.943 tors. eta vs tors. theta energy: -216.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2467.581217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.581217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.581217 (E_RNA) where: Base-Base interactions energy: -1657.436 where: short stacking energy: -714.144 Base-Backbone interact. energy: -4.107 local terms energy: -806.037399 where: bonds (distance) C4'-P energy: -146.287 bonds (distance) P-C4' energy: -171.031 flat angles C4'-P-C4' energy: -168.255 flat angles P-C4'-P energy: -113.286 tors. eta vs tors. theta energy: -207.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2268.138945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.138945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.138945 (E_RNA) where: Base-Base interactions energy: -1533.934 where: short stacking energy: -665.889 Base-Backbone interact. energy: -1.393 local terms energy: -732.812131 where: bonds (distance) C4'-P energy: -139.858 bonds (distance) P-C4' energy: -163.271 flat angles C4'-P-C4' energy: -157.866 flat angles P-C4'-P energy: -98.840 tors. eta vs tors. theta energy: -172.977 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: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1860.569995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.569995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.569995 (E_RNA) where: Base-Base interactions energy: -1188.601 where: short stacking energy: -547.504 Base-Backbone interact. energy: -2.043 local terms energy: -669.925196 where: bonds (distance) C4'-P energy: -163.134 bonds (distance) P-C4' energy: -143.218 flat angles C4'-P-C4' energy: -147.595 flat angles P-C4'-P energy: -90.755 tors. eta vs tors. theta energy: -125.223 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: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1676.655754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.655754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.655754 (E_RNA) where: Base-Base interactions energy: -1073.725 where: short stacking energy: -491.202 Base-Backbone interact. energy: 4.546 local terms energy: -607.477094 where: bonds (distance) C4'-P energy: -142.739 bonds (distance) P-C4' energy: -145.767 flat angles C4'-P-C4' energy: -145.661 flat angles P-C4'-P energy: -93.669 tors. eta vs tors. theta energy: -79.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1470.069672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.069672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.069672 (E_RNA) where: Base-Base interactions energy: -909.134 where: short stacking energy: -420.255 Base-Backbone interact. energy: 3.979 local terms energy: -564.914025 where: bonds (distance) C4'-P energy: -125.039 bonds (distance) P-C4' energy: -120.274 flat angles C4'-P-C4' energy: -147.662 flat angles P-C4'-P energy: -99.451 tors. eta vs tors. theta energy: -72.487 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: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -856.413073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.413073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.413073 (E_RNA) where: Base-Base interactions energy: -439.808 where: short stacking energy: -258.693 Base-Backbone interact. energy: -0.555 local terms energy: -416.050413 where: bonds (distance) C4'-P energy: -115.675 bonds (distance) P-C4' energy: -131.115 flat angles C4'-P-C4' energy: -108.877 flat angles P-C4'-P energy: -68.149 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: 10, replica: 6 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -747.301628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.301628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.301628 (E_RNA) where: Base-Base interactions energy: -297.826 where: short stacking energy: -191.675 Base-Backbone interact. energy: -2.723 local terms energy: -446.752960 where: bonds (distance) C4'-P energy: -141.490 bonds (distance) P-C4' energy: -122.426 flat angles C4'-P-C4' energy: -113.102 flat angles P-C4'-P energy: -69.635 tors. eta vs tors. theta energy: -0.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2851.893649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.893649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.893649 (E_RNA) where: Base-Base interactions energy: -1969.132 where: short stacking energy: -838.798 Base-Backbone interact. energy: -5.828 local terms energy: -876.932890 where: bonds (distance) C4'-P energy: -145.024 bonds (distance) P-C4' energy: -165.293 flat angles C4'-P-C4' energy: -194.423 flat angles P-C4'-P energy: -128.255 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: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2793.084156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.084156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.084156 (E_RNA) where: Base-Base interactions energy: -1974.669 where: short stacking energy: -834.572 Base-Backbone interact. energy: -4.519 local terms energy: -813.896126 where: bonds (distance) C4'-P energy: -153.295 bonds (distance) P-C4' energy: -146.168 flat angles C4'-P-C4' energy: -160.224 flat angles P-C4'-P energy: -114.154 tors. eta vs tors. theta energy: -240.054 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: 1 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2623.067199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.067199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.067199 (E_RNA) where: Base-Base interactions energy: -1811.334 where: short stacking energy: -754.906 Base-Backbone interact. energy: -1.344 local terms energy: -810.388857 where: bonds (distance) C4'-P energy: -145.114 bonds (distance) P-C4' energy: -162.282 flat angles C4'-P-C4' energy: -182.720 flat angles P-C4'-P energy: -108.055 tors. eta vs tors. theta energy: -212.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2422.346103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.346103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.346103 (E_RNA) where: Base-Base interactions energy: -1648.045 where: short stacking energy: -698.839 Base-Backbone interact. energy: 0.553 local terms energy: -774.853728 where: bonds (distance) C4'-P energy: -156.053 bonds (distance) P-C4' energy: -137.807 flat angles C4'-P-C4' energy: -170.350 flat angles P-C4'-P energy: -111.398 tors. eta vs tors. theta energy: -199.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2296.824147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.824147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.824147 (E_RNA) where: Base-Base interactions energy: -1565.177 where: short stacking energy: -648.945 Base-Backbone interact. energy: -3.558 local terms energy: -728.088352 where: bonds (distance) C4'-P energy: -117.101 bonds (distance) P-C4' energy: -143.731 flat angles C4'-P-C4' energy: -165.927 flat angles P-C4'-P energy: -110.911 tors. eta vs tors. theta energy: -190.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1884.190808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.190808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.190808 (E_RNA) where: Base-Base interactions energy: -1188.248 where: short stacking energy: -553.703 Base-Backbone interact. energy: -2.386 local terms energy: -693.556692 where: bonds (distance) C4'-P energy: -155.894 bonds (distance) P-C4' energy: -147.208 flat angles C4'-P-C4' energy: -157.316 flat angles P-C4'-P energy: -95.499 tors. eta vs tors. theta energy: -137.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1730.467838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.467838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.467838 (E_RNA) where: Base-Base interactions energy: -1079.386 where: short stacking energy: -485.534 Base-Backbone interact. energy: -3.640 local terms energy: -647.441096 where: bonds (distance) C4'-P energy: -149.332 bonds (distance) P-C4' energy: -157.472 flat angles C4'-P-C4' energy: -155.235 flat angles P-C4'-P energy: -92.510 tors. eta vs tors. theta energy: -92.892 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: 261 Temperature: 1.250000 Total energy: -1547.419779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.419779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.419779 (E_RNA) where: Base-Base interactions energy: -966.066 where: short stacking energy: -458.792 Base-Backbone interact. energy: -1.404 local terms energy: -579.949682 where: bonds (distance) C4'-P energy: -131.063 bonds (distance) P-C4' energy: -140.522 flat angles C4'-P-C4' energy: -126.708 flat angles P-C4'-P energy: -103.119 tors. eta vs tors. theta energy: -78.538 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: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -942.873663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.873663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.873663 (E_RNA) where: Base-Base interactions energy: -452.604 where: short stacking energy: -250.531 Base-Backbone interact. energy: -2.202 local terms energy: -488.068627 where: bonds (distance) C4'-P energy: -132.089 bonds (distance) P-C4' energy: -139.128 flat angles C4'-P-C4' energy: -113.838 flat angles P-C4'-P energy: -90.879 tors. eta vs tors. theta energy: -12.136 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: 10, replica: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -768.465397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.465397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.465397 (E_RNA) where: Base-Base interactions energy: -339.063 where: short stacking energy: -212.114 Base-Backbone interact. energy: 4.920 local terms energy: -434.322214 where: bonds (distance) C4'-P energy: -124.497 bonds (distance) P-C4' energy: -148.439 flat angles C4'-P-C4' energy: -128.219 flat angles P-C4'-P energy: -61.661 tors. eta vs tors. theta energy: 28.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2822.511322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.511322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.511322 (E_RNA) where: Base-Base interactions energy: -1957.977 where: short stacking energy: -807.053 Base-Backbone interact. energy: -3.508 local terms energy: -861.026705 where: bonds (distance) C4'-P energy: -159.600 bonds (distance) P-C4' energy: -154.988 flat angles C4'-P-C4' energy: -193.965 flat angles P-C4'-P energy: -121.463 tors. eta vs tors. theta energy: -231.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2780.411692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.411692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.411692 (E_RNA) where: Base-Base interactions energy: -1921.538 where: short stacking energy: -792.404 Base-Backbone interact. energy: -7.661 local terms energy: -851.213000 where: bonds (distance) C4'-P energy: -160.162 bonds (distance) P-C4' energy: -153.504 flat angles C4'-P-C4' energy: -180.808 flat angles P-C4'-P energy: -114.986 tors. eta vs tors. theta energy: -241.752 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: 1 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2629.332117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.332117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.332117 (E_RNA) where: Base-Base interactions energy: -1818.753 where: short stacking energy: -755.681 Base-Backbone interact. energy: -2.260 local terms energy: -808.318643 where: bonds (distance) C4'-P energy: -161.584 bonds (distance) P-C4' energy: -138.491 flat angles C4'-P-C4' energy: -173.240 flat angles P-C4'-P energy: -120.578 tors. eta vs tors. theta energy: -214.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2464.700833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.700833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.700833 (E_RNA) where: Base-Base interactions energy: -1663.191 where: short stacking energy: -698.876 Base-Backbone interact. energy: -2.970 local terms energy: -798.539507 where: bonds (distance) C4'-P energy: -141.603 bonds (distance) P-C4' energy: -154.547 flat angles C4'-P-C4' energy: -176.999 flat angles P-C4'-P energy: -123.344 tors. eta vs tors. theta energy: -202.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2285.713518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.713518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.713518 (E_RNA) where: Base-Base interactions energy: -1549.816 where: short stacking energy: -648.002 Base-Backbone interact. energy: 0.364 local terms energy: -736.260712 where: bonds (distance) C4'-P energy: -136.290 bonds (distance) P-C4' energy: -172.052 flat angles C4'-P-C4' energy: -160.917 flat angles P-C4'-P energy: -105.756 tors. eta vs tors. theta energy: -161.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1868.532418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.532418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.532418 (E_RNA) where: Base-Base interactions energy: -1204.030 where: short stacking energy: -544.198 Base-Backbone interact. energy: 1.106 local terms energy: -665.607922 where: bonds (distance) C4'-P energy: -130.921 bonds (distance) P-C4' energy: -138.954 flat angles C4'-P-C4' energy: -144.587 flat angles P-C4'-P energy: -115.125 tors. eta vs tors. theta energy: -136.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1698.613470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.613470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.613470 (E_RNA) where: Base-Base interactions energy: -1097.592 where: short stacking energy: -446.748 Base-Backbone interact. energy: -1.691 local terms energy: -599.331259 where: bonds (distance) C4'-P energy: -155.202 bonds (distance) P-C4' energy: -132.952 flat angles C4'-P-C4' energy: -142.474 flat angles P-C4'-P energy: -76.576 tors. eta vs tors. theta energy: -92.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1501.419614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.419614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.419614 (E_RNA) where: Base-Base interactions energy: -945.733 where: short stacking energy: -427.182 Base-Backbone interact. energy: -0.774 local terms energy: -554.912272 where: bonds (distance) C4'-P energy: -130.720 bonds (distance) P-C4' energy: -149.864 flat angles C4'-P-C4' energy: -126.831 flat angles P-C4'-P energy: -84.879 tors. eta vs tors. theta energy: -62.619 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: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -986.554756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.554756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.554756 (E_RNA) where: Base-Base interactions energy: -517.202 where: short stacking energy: -283.584 Base-Backbone interact. energy: 1.518 local terms energy: -470.870623 where: bonds (distance) C4'-P energy: -131.937 bonds (distance) P-C4' energy: -130.129 flat angles C4'-P-C4' energy: -126.395 flat angles P-C4'-P energy: -68.061 tors. eta vs tors. theta energy: -14.349 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: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -684.164555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.164555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.164555 (E_RNA) where: Base-Base interactions energy: -261.930 where: short stacking energy: -194.391 Base-Backbone interact. energy: -1.013 local terms energy: -421.222415 where: bonds (distance) C4'-P energy: -151.498 bonds (distance) P-C4' energy: -137.091 flat angles C4'-P-C4' energy: -107.072 flat angles P-C4'-P energy: -52.473 tors. eta vs tors. theta energy: 26.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2836.734524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.734524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.734524 (E_RNA) where: Base-Base interactions energy: -1964.188 where: short stacking energy: -835.107 Base-Backbone interact. energy: -1.779 local terms energy: -870.766910 where: bonds (distance) C4'-P energy: -160.565 bonds (distance) P-C4' energy: -153.567 flat angles C4'-P-C4' energy: -202.206 flat angles P-C4'-P energy: -117.699 tors. eta vs tors. theta energy: -236.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2818.935010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.935010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.935010 (E_RNA) where: Base-Base interactions energy: -1948.443 where: short stacking energy: -817.675 Base-Backbone interact. energy: -3.833 local terms energy: -866.659324 where: bonds (distance) C4'-P energy: -156.250 bonds (distance) P-C4' energy: -156.966 flat angles C4'-P-C4' energy: -185.509 flat angles P-C4'-P energy: -116.927 tors. eta vs tors. theta energy: -251.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2664.457930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.457930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.457930 (E_RNA) where: Base-Base interactions energy: -1860.533 where: short stacking energy: -782.820 Base-Backbone interact. energy: 4.547 local terms energy: -808.471528 where: bonds (distance) C4'-P energy: -161.603 bonds (distance) P-C4' energy: -141.723 flat angles C4'-P-C4' energy: -175.086 flat angles P-C4'-P energy: -102.405 tors. eta vs tors. theta energy: -227.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2425.755269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.755269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.755269 (E_RNA) where: Base-Base interactions energy: -1652.820 where: short stacking energy: -722.085 Base-Backbone interact. energy: -3.637 local terms energy: -769.297994 where: bonds (distance) C4'-P energy: -146.669 bonds (distance) P-C4' energy: -150.512 flat angles C4'-P-C4' energy: -162.606 flat angles P-C4'-P energy: -110.578 tors. eta vs tors. theta energy: -198.934 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: 5, replica: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2271.154182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.154182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.154182 (E_RNA) where: Base-Base interactions energy: -1537.891 where: short stacking energy: -664.829 Base-Backbone interact. energy: 0.980 local terms energy: -734.243331 where: bonds (distance) C4'-P energy: -154.838 bonds (distance) P-C4' energy: -134.889 flat angles C4'-P-C4' energy: -160.606 flat angles P-C4'-P energy: -100.580 tors. eta vs tors. theta energy: -183.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1889.595556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.595556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.595556 (E_RNA) where: Base-Base interactions energy: -1212.393 where: short stacking energy: -557.336 Base-Backbone interact. energy: -0.712 local terms energy: -676.491199 where: bonds (distance) C4'-P energy: -128.231 bonds (distance) P-C4' energy: -154.172 flat angles C4'-P-C4' energy: -159.741 flat angles P-C4'-P energy: -108.886 tors. eta vs tors. theta energy: -125.461 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: 263 Temperature: 1.200000 Total energy: -1702.400612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.400612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.400612 (E_RNA) where: Base-Base interactions energy: -1072.071 where: short stacking energy: -480.276 Base-Backbone interact. energy: 1.873 local terms energy: -632.202458 where: bonds (distance) C4'-P energy: -133.498 bonds (distance) P-C4' energy: -138.399 flat angles C4'-P-C4' energy: -146.550 flat angles P-C4'-P energy: -109.537 tors. eta vs tors. theta energy: -104.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1526.314361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.314361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.314361 (E_RNA) where: Base-Base interactions energy: -960.017 where: short stacking energy: -427.794 Base-Backbone interact. energy: -1.986 local terms energy: -564.311735 where: bonds (distance) C4'-P energy: -118.485 bonds (distance) P-C4' energy: -151.917 flat angles C4'-P-C4' energy: -150.041 flat angles P-C4'-P energy: -68.821 tors. eta vs tors. theta energy: -75.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -968.471236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.471236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.471236 (E_RNA) where: Base-Base interactions energy: -497.663 where: short stacking energy: -246.645 Base-Backbone interact. energy: 1.168 local terms energy: -471.975977 where: bonds (distance) C4'-P energy: -127.784 bonds (distance) P-C4' energy: -138.011 flat angles C4'-P-C4' energy: -117.852 flat angles P-C4'-P energy: -81.668 tors. eta vs tors. theta energy: -6.660 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: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -770.735085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.735085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.735085 (E_RNA) where: Base-Base interactions energy: -344.029 where: short stacking energy: -210.846 Base-Backbone interact. energy: -0.895 local terms energy: -425.811172 where: bonds (distance) C4'-P energy: -128.894 bonds (distance) P-C4' energy: -145.219 flat angles C4'-P-C4' energy: -109.906 flat angles P-C4'-P energy: -52.568 tors. eta vs tors. theta energy: 10.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2823.041619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.041619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.041619 (E_RNA) where: Base-Base interactions energy: -1907.395 where: short stacking energy: -835.373 Base-Backbone interact. energy: -6.090 local terms energy: -909.556325 where: bonds (distance) C4'-P energy: -169.622 bonds (distance) P-C4' energy: -174.930 flat angles C4'-P-C4' energy: -189.345 flat angles P-C4'-P energy: -130.117 tors. eta vs tors. theta energy: -245.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2793.169712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.169712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.169712 (E_RNA) where: Base-Base interactions energy: -1919.736 where: short stacking energy: -797.930 Base-Backbone interact. energy: -5.881 local terms energy: -867.552241 where: bonds (distance) C4'-P energy: -169.242 bonds (distance) P-C4' energy: -162.110 flat angles C4'-P-C4' energy: -178.184 flat angles P-C4'-P energy: -115.286 tors. eta vs tors. theta energy: -242.731 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: 1 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2686.699999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.699999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.699999 (E_RNA) where: Base-Base interactions energy: -1856.036 where: short stacking energy: -776.365 Base-Backbone interact. energy: -1.850 local terms energy: -828.813579 where: bonds (distance) C4'-P energy: -152.191 bonds (distance) P-C4' energy: -134.618 flat angles C4'-P-C4' energy: -190.018 flat angles P-C4'-P energy: -127.886 tors. eta vs tors. theta energy: -224.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2454.351378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.351378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.351378 (E_RNA) where: Base-Base interactions energy: -1650.625 where: short stacking energy: -730.308 Base-Backbone interact. energy: -3.952 local terms energy: -799.774630 where: bonds (distance) C4'-P energy: -151.671 bonds (distance) P-C4' energy: -149.989 flat angles C4'-P-C4' energy: -187.229 flat angles P-C4'-P energy: -106.464 tors. eta vs tors. theta energy: -204.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2267.174331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.174331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.174331 (E_RNA) where: Base-Base interactions energy: -1543.766 where: short stacking energy: -680.606 Base-Backbone interact. energy: 1.561 local terms energy: -724.968712 where: bonds (distance) C4'-P energy: -141.076 bonds (distance) P-C4' energy: -140.374 flat angles C4'-P-C4' energy: -167.239 flat angles P-C4'-P energy: -100.760 tors. eta vs tors. theta energy: -175.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1894.012687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.012687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.012687 (E_RNA) where: Base-Base interactions energy: -1192.036 where: short stacking energy: -562.951 Base-Backbone interact. energy: 3.687 local terms energy: -705.663323 where: bonds (distance) C4'-P energy: -150.957 bonds (distance) P-C4' energy: -149.393 flat angles C4'-P-C4' energy: -171.856 flat angles P-C4'-P energy: -91.749 tors. eta vs tors. theta energy: -141.709 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: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1695.392911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.392911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.392911 (E_RNA) where: Base-Base interactions energy: -1068.950 where: short stacking energy: -468.101 Base-Backbone interact. energy: -1.441 local terms energy: -625.001557 where: bonds (distance) C4'-P energy: -134.719 bonds (distance) P-C4' energy: -136.624 flat angles C4'-P-C4' energy: -150.318 flat angles P-C4'-P energy: -88.130 tors. eta vs tors. theta energy: -115.211 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: 4 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1455.161487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.161487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.161487 (E_RNA) where: Base-Base interactions energy: -876.142 where: short stacking energy: -386.360 Base-Backbone interact. energy: -4.464 local terms energy: -574.555388 where: bonds (distance) C4'-P energy: -137.890 bonds (distance) P-C4' energy: -155.276 flat angles C4'-P-C4' energy: -134.801 flat angles P-C4'-P energy: -97.151 tors. eta vs tors. theta energy: -49.438 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: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -965.010108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.010108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.010108 (E_RNA) where: Base-Base interactions energy: -485.457 where: short stacking energy: -274.603 Base-Backbone interact. energy: 4.440 local terms energy: -483.993127 where: bonds (distance) C4'-P energy: -149.747 bonds (distance) P-C4' energy: -145.217 flat angles C4'-P-C4' energy: -129.569 flat angles P-C4'-P energy: -45.653 tors. eta vs tors. theta energy: -13.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -785.650980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.650980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.650980 (E_RNA) where: Base-Base interactions energy: -348.762 where: short stacking energy: -209.345 Base-Backbone interact. energy: 0.191 local terms energy: -437.080392 where: bonds (distance) C4'-P energy: -122.387 bonds (distance) P-C4' energy: -151.384 flat angles C4'-P-C4' energy: -122.943 flat angles P-C4'-P energy: -58.174 tors. eta vs tors. theta energy: 17.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2837.613205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.613205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.613205 (E_RNA) where: Base-Base interactions energy: -1936.912 where: short stacking energy: -828.590 Base-Backbone interact. energy: 3.024 local terms energy: -903.724938 where: bonds (distance) C4'-P energy: -165.653 bonds (distance) P-C4' energy: -175.579 flat angles C4'-P-C4' energy: -195.815 flat angles P-C4'-P energy: -130.412 tors. eta vs tors. theta energy: -236.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2812.188296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.188296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.188296 (E_RNA) where: Base-Base interactions energy: -1956.631 where: short stacking energy: -802.907 Base-Backbone interact. energy: 0.744 local terms energy: -856.301495 where: bonds (distance) C4'-P energy: -156.162 bonds (distance) P-C4' energy: -155.520 flat angles C4'-P-C4' energy: -178.717 flat angles P-C4'-P energy: -121.662 tors. eta vs tors. theta energy: -244.240 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: 3, replica: 1 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2673.805194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.805194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.805194 (E_RNA) where: Base-Base interactions energy: -1838.767 where: short stacking energy: -766.269 Base-Backbone interact. energy: -2.441 local terms energy: -832.597734 where: bonds (distance) C4'-P energy: -149.919 bonds (distance) P-C4' energy: -155.314 flat angles C4'-P-C4' energy: -179.542 flat angles P-C4'-P energy: -124.579 tors. eta vs tors. theta energy: -223.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2455.493728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.493728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.493728 (E_RNA) where: Base-Base interactions energy: -1669.272 where: short stacking energy: -713.910 Base-Backbone interact. energy: -2.606 local terms energy: -783.615888 where: bonds (distance) C4'-P energy: -155.526 bonds (distance) P-C4' energy: -148.086 flat angles C4'-P-C4' energy: -177.715 flat angles P-C4'-P energy: -105.676 tors. eta vs tors. theta energy: -196.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2282.133515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.133515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.133515 (E_RNA) where: Base-Base interactions energy: -1543.443 where: short stacking energy: -674.592 Base-Backbone interact. energy: 2.069 local terms energy: -740.759815 where: bonds (distance) C4'-P energy: -145.464 bonds (distance) P-C4' energy: -144.093 flat angles C4'-P-C4' energy: -170.630 flat angles P-C4'-P energy: -95.786 tors. eta vs tors. theta energy: -184.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1875.167919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.167919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.167919 (E_RNA) where: Base-Base interactions energy: -1200.281 where: short stacking energy: -572.303 Base-Backbone interact. energy: 0.372 local terms energy: -675.258459 where: bonds (distance) C4'-P energy: -152.182 bonds (distance) P-C4' energy: -128.959 flat angles C4'-P-C4' energy: -161.438 flat angles P-C4'-P energy: -87.422 tors. eta vs tors. theta energy: -145.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1705.465130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.465130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.465130 (E_RNA) where: Base-Base interactions energy: -1123.139 where: short stacking energy: -513.107 Base-Backbone interact. energy: 0.313 local terms energy: -582.638750 where: bonds (distance) C4'-P energy: -103.455 bonds (distance) P-C4' energy: -138.275 flat angles C4'-P-C4' energy: -148.242 flat angles P-C4'-P energy: -83.940 tors. eta vs tors. theta energy: -108.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1445.336608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.336608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.336608 (E_RNA) where: Base-Base interactions energy: -890.539 where: short stacking energy: -396.495 Base-Backbone interact. energy: 3.613 local terms energy: -558.410354 where: bonds (distance) C4'-P energy: -149.797 bonds (distance) P-C4' energy: -137.467 flat angles C4'-P-C4' energy: -122.769 flat angles P-C4'-P energy: -92.442 tors. eta vs tors. theta energy: -55.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -999.715488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.715488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.715488 (E_RNA) where: Base-Base interactions energy: -542.944 where: short stacking energy: -293.437 Base-Backbone interact. energy: -1.049 local terms energy: -455.721936 where: bonds (distance) C4'-P energy: -117.211 bonds (distance) P-C4' energy: -124.132 flat angles C4'-P-C4' energy: -128.315 flat angles P-C4'-P energy: -79.836 tors. eta vs tors. theta energy: -6.228 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: 6 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -699.372082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.372082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.372082 (E_RNA) where: Base-Base interactions energy: -287.623 where: short stacking energy: -195.799 Base-Backbone interact. energy: -0.612 local terms energy: -411.136911 where: bonds (distance) C4'-P energy: -136.750 bonds (distance) P-C4' energy: -163.269 flat angles C4'-P-C4' energy: -87.940 flat angles P-C4'-P energy: -57.534 tors. eta vs tors. theta energy: 34.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2833.708331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.708331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.708331 (E_RNA) where: Base-Base interactions energy: -1961.176 where: short stacking energy: -832.898 Base-Backbone interact. energy: -4.307 local terms energy: -868.225181 where: bonds (distance) C4'-P energy: -175.147 bonds (distance) P-C4' energy: -154.940 flat angles C4'-P-C4' energy: -187.976 flat angles P-C4'-P energy: -115.843 tors. eta vs tors. theta energy: -234.318 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: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2808.505871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.505871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.505871 (E_RNA) where: Base-Base interactions energy: -1947.881 where: short stacking energy: -799.274 Base-Backbone interact. energy: -2.009 local terms energy: -858.616410 where: bonds (distance) C4'-P energy: -146.915 bonds (distance) P-C4' energy: -159.680 flat angles C4'-P-C4' energy: -175.840 flat angles P-C4'-P energy: -132.522 tors. eta vs tors. theta energy: -243.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2653.379364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.379364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.379364 (E_RNA) where: Base-Base interactions energy: -1819.748 where: short stacking energy: -761.622 Base-Backbone interact. energy: -1.953 local terms energy: -831.678493 where: bonds (distance) C4'-P energy: -143.159 bonds (distance) P-C4' energy: -158.076 flat angles C4'-P-C4' energy: -170.343 flat angles P-C4'-P energy: -133.512 tors. eta vs tors. theta energy: -226.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2452.031632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.031632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.031632 (E_RNA) where: Base-Base interactions energy: -1665.813 where: short stacking energy: -713.192 Base-Backbone interact. energy: -3.909 local terms energy: -782.310474 where: bonds (distance) C4'-P energy: -145.093 bonds (distance) P-C4' energy: -160.460 flat angles C4'-P-C4' energy: -168.553 flat angles P-C4'-P energy: -99.209 tors. eta vs tors. theta energy: -208.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2291.957437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.957437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.957437 (E_RNA) where: Base-Base interactions energy: -1545.283 where: short stacking energy: -640.155 Base-Backbone interact. energy: 0.907 local terms energy: -747.581870 where: bonds (distance) C4'-P energy: -139.837 bonds (distance) P-C4' energy: -152.979 flat angles C4'-P-C4' energy: -165.967 flat angles P-C4'-P energy: -118.654 tors. eta vs tors. theta energy: -170.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1909.364929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.364929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.364929 (E_RNA) where: Base-Base interactions energy: -1181.231 where: short stacking energy: -543.428 Base-Backbone interact. energy: -4.139 local terms energy: -723.995709 where: bonds (distance) C4'-P energy: -135.382 bonds (distance) P-C4' energy: -160.783 flat angles C4'-P-C4' energy: -168.946 flat angles P-C4'-P energy: -123.446 tors. eta vs tors. theta energy: -135.439 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: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1707.192717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.192717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.192717 (E_RNA) where: Base-Base interactions energy: -1088.161 where: short stacking energy: -476.520 Base-Backbone interact. energy: 11.726 local terms energy: -630.757699 where: bonds (distance) C4'-P energy: -156.673 bonds (distance) P-C4' energy: -128.464 flat angles C4'-P-C4' energy: -149.975 flat angles P-C4'-P energy: -78.561 tors. eta vs tors. theta energy: -117.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1403.206970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.206970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.206970 (E_RNA) where: Base-Base interactions energy: -851.930 where: short stacking energy: -415.401 Base-Backbone interact. energy: -3.058 local terms energy: -548.218303 where: bonds (distance) C4'-P energy: -128.049 bonds (distance) P-C4' energy: -134.072 flat angles C4'-P-C4' energy: -131.326 flat angles P-C4'-P energy: -97.199 tors. eta vs tors. theta energy: -57.573 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: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1049.558010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.558010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.558010 (E_RNA) where: Base-Base interactions energy: -552.444 where: short stacking energy: -282.511 Base-Backbone interact. energy: -0.523 local terms energy: -496.591021 where: bonds (distance) C4'-P energy: -126.074 bonds (distance) P-C4' energy: -167.950 flat angles C4'-P-C4' energy: -128.070 flat angles P-C4'-P energy: -58.445 tors. eta vs tors. theta energy: -16.052 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: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -694.834867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.834867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.834867 (E_RNA) where: Base-Base interactions energy: -298.818 where: short stacking energy: -192.428 Base-Backbone interact. energy: 3.730 local terms energy: -399.747192 where: bonds (distance) C4'-P energy: -127.782 bonds (distance) P-C4' energy: -142.429 flat angles C4'-P-C4' energy: -105.140 flat angles P-C4'-P energy: -47.154 tors. eta vs tors. theta energy: 22.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2839.477222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.477222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.477222 (E_RNA) where: Base-Base interactions energy: -1967.607 where: short stacking energy: -853.293 Base-Backbone interact. energy: -3.981 local terms energy: -867.889979 where: bonds (distance) C4'-P energy: -160.682 bonds (distance) P-C4' energy: -161.435 flat angles C4'-P-C4' energy: -194.346 flat angles P-C4'-P energy: -109.077 tors. eta vs tors. theta energy: -242.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2793.160259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.160259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.160259 (E_RNA) where: Base-Base interactions energy: -1929.952 where: short stacking energy: -794.178 Base-Backbone interact. energy: 0.750 local terms energy: -863.958665 where: bonds (distance) C4'-P energy: -158.170 bonds (distance) P-C4' energy: -156.786 flat angles C4'-P-C4' energy: -187.911 flat angles P-C4'-P energy: -129.197 tors. eta vs tors. theta energy: -231.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2636.277157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.277157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.277157 (E_RNA) where: Base-Base interactions energy: -1803.891 where: short stacking energy: -764.883 Base-Backbone interact. energy: 2.325 local terms energy: -834.711471 where: bonds (distance) C4'-P energy: -143.966 bonds (distance) P-C4' energy: -169.173 flat angles C4'-P-C4' energy: -178.559 flat angles P-C4'-P energy: -114.859 tors. eta vs tors. theta energy: -228.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2488.115605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.115605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.115605 (E_RNA) where: Base-Base interactions energy: -1665.526 where: short stacking energy: -726.297 Base-Backbone interact. energy: -4.749 local terms energy: -817.840294 where: bonds (distance) C4'-P energy: -151.945 bonds (distance) P-C4' energy: -154.310 flat angles C4'-P-C4' energy: -170.412 flat angles P-C4'-P energy: -123.215 tors. eta vs tors. theta energy: -217.958 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: 5, replica: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2363.494936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.494936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.494936 (E_RNA) where: Base-Base interactions energy: -1582.483 where: short stacking energy: -685.723 Base-Backbone interact. energy: 0.095 local terms energy: -781.106481 where: bonds (distance) C4'-P energy: -148.377 bonds (distance) P-C4' energy: -163.023 flat angles C4'-P-C4' energy: -172.498 flat angles P-C4'-P energy: -104.152 tors. eta vs tors. theta energy: -193.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1888.290001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.290001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.290001 (E_RNA) where: Base-Base interactions energy: -1234.759 where: short stacking energy: -559.856 Base-Backbone interact. energy: -5.152 local terms energy: -648.378676 where: bonds (distance) C4'-P energy: -120.932 bonds (distance) P-C4' energy: -140.431 flat angles C4'-P-C4' energy: -156.287 flat angles P-C4'-P energy: -91.571 tors. eta vs tors. theta energy: -139.158 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: 7, replica: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1818.900998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.900998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.900998 (E_RNA) where: Base-Base interactions energy: -1179.230 where: short stacking energy: -509.686 Base-Backbone interact. energy: -3.004 local terms energy: -636.666578 where: bonds (distance) C4'-P energy: -139.379 bonds (distance) P-C4' energy: -136.394 flat angles C4'-P-C4' energy: -148.210 flat angles P-C4'-P energy: -95.255 tors. eta vs tors. theta energy: -117.428 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: 4 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1395.377584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.377584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.377584 (E_RNA) where: Base-Base interactions energy: -826.011 where: short stacking energy: -424.425 Base-Backbone interact. energy: 0.198 local terms energy: -569.564655 where: bonds (distance) C4'-P energy: -126.767 bonds (distance) P-C4' energy: -140.260 flat angles C4'-P-C4' energy: -138.766 flat angles P-C4'-P energy: -84.634 tors. eta vs tors. theta energy: -79.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -993.443164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.443164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.443164 (E_RNA) where: Base-Base interactions energy: -504.313 where: short stacking energy: -263.461 Base-Backbone interact. energy: -1.697 local terms energy: -487.433348 where: bonds (distance) C4'-P energy: -153.621 bonds (distance) P-C4' energy: -120.252 flat angles C4'-P-C4' energy: -117.869 flat angles P-C4'-P energy: -69.358 tors. eta vs tors. theta energy: -26.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -718.238858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.238858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.238858 (E_RNA) where: Base-Base interactions energy: -309.880 where: short stacking energy: -195.517 Base-Backbone interact. energy: 0.725 local terms energy: -409.083392 where: bonds (distance) C4'-P energy: -102.801 bonds (distance) P-C4' energy: -135.192 flat angles C4'-P-C4' energy: -113.811 flat angles P-C4'-P energy: -71.732 tors. eta vs tors. theta energy: 14.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2844.805929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.805929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.805929 (E_RNA) where: Base-Base interactions energy: -1964.529 where: short stacking energy: -847.884 Base-Backbone interact. energy: -3.281 local terms energy: -876.996517 where: bonds (distance) C4'-P energy: -168.402 bonds (distance) P-C4' energy: -164.412 flat angles C4'-P-C4' energy: -187.994 flat angles P-C4'-P energy: -112.443 tors. eta vs tors. theta energy: -243.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2789.998212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.998212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.998212 (E_RNA) where: Base-Base interactions energy: -1917.742 where: short stacking energy: -803.636 Base-Backbone interact. energy: -1.926 local terms energy: -870.329897 where: bonds (distance) C4'-P energy: -144.655 bonds (distance) P-C4' energy: -176.107 flat angles C4'-P-C4' energy: -186.197 flat angles P-C4'-P energy: -125.338 tors. eta vs tors. theta energy: -238.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2656.245359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.245359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.245359 (E_RNA) where: Base-Base interactions energy: -1816.493 where: short stacking energy: -758.043 Base-Backbone interact. energy: 0.730 local terms energy: -840.482074 where: bonds (distance) C4'-P energy: -154.342 bonds (distance) P-C4' energy: -158.095 flat angles C4'-P-C4' energy: -191.920 flat angles P-C4'-P energy: -118.825 tors. eta vs tors. theta energy: -217.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2456.597953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.597953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.597953 (E_RNA) where: Base-Base interactions energy: -1675.860 where: short stacking energy: -710.578 Base-Backbone interact. energy: -6.469 local terms energy: -774.268775 where: bonds (distance) C4'-P energy: -140.349 bonds (distance) P-C4' energy: -165.948 flat angles C4'-P-C4' energy: -163.544 flat angles P-C4'-P energy: -107.015 tors. eta vs tors. theta energy: -197.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2354.418915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.418915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.418915 (E_RNA) where: Base-Base interactions energy: -1589.735 where: short stacking energy: -689.798 Base-Backbone interact. energy: -2.502 local terms energy: -762.182536 where: bonds (distance) C4'-P energy: -137.291 bonds (distance) P-C4' energy: -139.757 flat angles C4'-P-C4' energy: -176.161 flat angles P-C4'-P energy: -113.389 tors. eta vs tors. theta energy: -195.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1905.807487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.807487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.807487 (E_RNA) where: Base-Base interactions energy: -1218.291 where: short stacking energy: -525.511 Base-Backbone interact. energy: -3.128 local terms energy: -684.388461 where: bonds (distance) C4'-P energy: -145.389 bonds (distance) P-C4' energy: -152.777 flat angles C4'-P-C4' energy: -165.723 flat angles P-C4'-P energy: -95.578 tors. eta vs tors. theta energy: -124.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1824.126498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.126498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.126498 (E_RNA) where: Base-Base interactions energy: -1161.303 where: short stacking energy: -540.480 Base-Backbone interact. energy: -3.689 local terms energy: -659.134203 where: bonds (distance) C4'-P energy: -153.640 bonds (distance) P-C4' energy: -130.307 flat angles C4'-P-C4' energy: -150.311 flat angles P-C4'-P energy: -97.491 tors. eta vs tors. theta energy: -127.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1362.322362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.322362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.322362 (E_RNA) where: Base-Base interactions energy: -818.445 where: short stacking energy: -408.048 Base-Backbone interact. energy: -1.094 local terms energy: -542.783637 where: bonds (distance) C4'-P energy: -132.447 bonds (distance) P-C4' energy: -138.048 flat angles C4'-P-C4' energy: -136.455 flat angles P-C4'-P energy: -63.965 tors. eta vs tors. theta energy: -71.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -925.471212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.471212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.471212 (E_RNA) where: Base-Base interactions energy: -457.377 where: short stacking energy: -269.475 Base-Backbone interact. energy: 3.640 local terms energy: -471.734406 where: bonds (distance) C4'-P energy: -130.123 bonds (distance) P-C4' energy: -141.419 flat angles C4'-P-C4' energy: -126.598 flat angles P-C4'-P energy: -69.779 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -699.209103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.209103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.209103 (E_RNA) where: Base-Base interactions energy: -301.265 where: short stacking energy: -180.817 Base-Backbone interact. energy: -0.889 local terms energy: -397.054830 where: bonds (distance) C4'-P energy: -139.670 bonds (distance) P-C4' energy: -120.386 flat angles C4'-P-C4' energy: -118.953 flat angles P-C4'-P energy: -54.730 tors. eta vs tors. theta energy: 36.685 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: 7 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2848.772875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.772875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.772875 (E_RNA) where: Base-Base interactions energy: -1960.418 where: short stacking energy: -826.455 Base-Backbone interact. energy: -1.516 local terms energy: -886.838849 where: bonds (distance) C4'-P energy: -163.325 bonds (distance) P-C4' energy: -177.675 flat angles C4'-P-C4' energy: -181.085 flat angles P-C4'-P energy: -126.025 tors. eta vs tors. theta energy: -238.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2762.567650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.567650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.567650 (E_RNA) where: Base-Base interactions energy: -1902.013 where: short stacking energy: -786.044 Base-Backbone interact. energy: 0.592 local terms energy: -861.147413 where: bonds (distance) C4'-P energy: -156.553 bonds (distance) P-C4' energy: -154.380 flat angles C4'-P-C4' energy: -178.630 flat angles P-C4'-P energy: -130.938 tors. eta vs tors. theta energy: -240.646 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: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2685.907611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.907611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.907611 (E_RNA) where: Base-Base interactions energy: -1855.711 where: short stacking energy: -788.007 Base-Backbone interact. energy: -3.625 local terms energy: -826.571287 where: bonds (distance) C4'-P energy: -147.036 bonds (distance) P-C4' energy: -153.091 flat angles C4'-P-C4' energy: -174.067 flat angles P-C4'-P energy: -121.194 tors. eta vs tors. theta energy: -231.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2462.820579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.820579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.820579 (E_RNA) where: Base-Base interactions energy: -1648.615 where: short stacking energy: -714.982 Base-Backbone interact. energy: 1.894 local terms energy: -816.098682 where: bonds (distance) C4'-P energy: -164.398 bonds (distance) P-C4' energy: -165.563 flat angles C4'-P-C4' energy: -161.072 flat angles P-C4'-P energy: -127.212 tors. eta vs tors. theta energy: -197.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2327.688803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.688803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.688803 (E_RNA) where: Base-Base interactions energy: -1545.519 where: short stacking energy: -644.182 Base-Backbone interact. energy: 2.637 local terms energy: -784.807174 where: bonds (distance) C4'-P energy: -170.726 bonds (distance) P-C4' energy: -146.195 flat angles C4'-P-C4' energy: -166.132 flat angles P-C4'-P energy: -115.413 tors. eta vs tors. theta energy: -186.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1943.436836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.436836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.436836 (E_RNA) where: Base-Base interactions energy: -1319.514 where: short stacking energy: -592.148 Base-Backbone interact. energy: -0.644 local terms energy: -623.278626 where: bonds (distance) C4'-P energy: -124.922 bonds (distance) P-C4' energy: -119.927 flat angles C4'-P-C4' energy: -144.512 flat angles P-C4'-P energy: -91.794 tors. eta vs tors. theta energy: -142.124 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: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1859.675503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.675503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.675503 (E_RNA) where: Base-Base interactions energy: -1221.316 where: short stacking energy: -529.507 Base-Backbone interact. energy: -2.572 local terms energy: -635.787068 where: bonds (distance) C4'-P energy: -134.792 bonds (distance) P-C4' energy: -130.761 flat angles C4'-P-C4' energy: -139.949 flat angles P-C4'-P energy: -95.897 tors. eta vs tors. theta energy: -134.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1390.727640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.727640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.727640 (E_RNA) where: Base-Base interactions energy: -883.148 where: short stacking energy: -394.401 Base-Backbone interact. energy: -3.966 local terms energy: -503.613482 where: bonds (distance) C4'-P energy: -126.827 bonds (distance) P-C4' energy: -126.939 flat angles C4'-P-C4' energy: -112.472 flat angles P-C4'-P energy: -75.315 tors. eta vs tors. theta energy: -62.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -858.068695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.068695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.068695 (E_RNA) where: Base-Base interactions energy: -411.655 where: short stacking energy: -254.289 Base-Backbone interact. energy: -1.664 local terms energy: -444.749746 where: bonds (distance) C4'-P energy: -121.179 bonds (distance) P-C4' energy: -113.658 flat angles C4'-P-C4' energy: -123.080 flat angles P-C4'-P energy: -65.484 tors. eta vs tors. theta energy: -21.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -739.160898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.160898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.160898 (E_RNA) where: Base-Base interactions energy: -336.718 where: short stacking energy: -210.875 Base-Backbone interact. energy: -3.586 local terms energy: -398.857150 where: bonds (distance) C4'-P energy: -117.285 bonds (distance) P-C4' energy: -143.260 flat angles C4'-P-C4' energy: -117.624 flat angles P-C4'-P energy: -61.112 tors. eta vs tors. theta energy: 40.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2849.282664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.282664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.282664 (E_RNA) where: Base-Base interactions energy: -1993.637 where: short stacking energy: -786.150 Base-Backbone interact. energy: 2.515 local terms energy: -858.160909 where: bonds (distance) C4'-P energy: -172.096 bonds (distance) P-C4' energy: -156.795 flat angles C4'-P-C4' energy: -180.627 flat angles P-C4'-P energy: -120.347 tors. eta vs tors. theta energy: -228.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2757.173479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.173479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.173479 (E_RNA) where: Base-Base interactions energy: -1875.325 where: short stacking energy: -792.790 Base-Backbone interact. energy: -2.356 local terms energy: -879.492366 where: bonds (distance) C4'-P energy: -171.401 bonds (distance) P-C4' energy: -163.366 flat angles C4'-P-C4' energy: -181.595 flat angles P-C4'-P energy: -124.649 tors. eta vs tors. theta energy: -238.481 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: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2594.866362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.866362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.866362 (E_RNA) where: Base-Base interactions energy: -1790.142 where: short stacking energy: -735.452 Base-Backbone interact. energy: 0.812 local terms energy: -805.536839 where: bonds (distance) C4'-P energy: -144.952 bonds (distance) P-C4' energy: -153.029 flat angles C4'-P-C4' energy: -176.482 flat angles P-C4'-P energy: -110.542 tors. eta vs tors. theta energy: -220.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2452.761364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.761364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.761364 (E_RNA) where: Base-Base interactions energy: -1665.907 where: short stacking energy: -703.830 Base-Backbone interact. energy: 0.846 local terms energy: -787.700725 where: bonds (distance) C4'-P energy: -145.729 bonds (distance) P-C4' energy: -148.531 flat angles C4'-P-C4' energy: -169.388 flat angles P-C4'-P energy: -120.559 tors. eta vs tors. theta energy: -203.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2273.553546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.553546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.553546 (E_RNA) where: Base-Base interactions energy: -1578.541 where: short stacking energy: -640.361 Base-Backbone interact. energy: 1.444 local terms energy: -696.456327 where: bonds (distance) C4'-P energy: -152.543 bonds (distance) P-C4' energy: -149.142 flat angles C4'-P-C4' energy: -150.559 flat angles P-C4'-P energy: -75.508 tors. eta vs tors. theta energy: -168.704 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: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1992.141404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.141404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.141404 (E_RNA) where: Base-Base interactions energy: -1285.885 where: short stacking energy: -584.195 Base-Backbone interact. energy: -1.968 local terms energy: -704.288122 where: bonds (distance) C4'-P energy: -141.708 bonds (distance) P-C4' energy: -155.751 flat angles C4'-P-C4' energy: -160.105 flat angles P-C4'-P energy: -108.305 tors. eta vs tors. theta energy: -138.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1830.268884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.268884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.268884 (E_RNA) where: Base-Base interactions energy: -1196.907 where: short stacking energy: -538.172 Base-Backbone interact. energy: -4.229 local terms energy: -629.133653 where: bonds (distance) C4'-P energy: -113.104 bonds (distance) P-C4' energy: -137.325 flat angles C4'-P-C4' energy: -143.663 flat angles P-C4'-P energy: -98.480 tors. eta vs tors. theta energy: -136.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1475.392873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.392873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.392873 (E_RNA) where: Base-Base interactions energy: -902.169 where: short stacking energy: -428.240 Base-Backbone interact. energy: 6.316 local terms energy: -579.540156 where: bonds (distance) C4'-P energy: -130.857 bonds (distance) P-C4' energy: -154.266 flat angles C4'-P-C4' energy: -160.428 flat angles P-C4'-P energy: -58.723 tors. eta vs tors. theta energy: -75.266 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: 6 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -838.956131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.956131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.956131 (E_RNA) where: Base-Base interactions energy: -326.031 where: short stacking energy: -205.122 Base-Backbone interact. energy: -2.084 local terms energy: -510.840544 where: bonds (distance) C4'-P energy: -158.901 bonds (distance) P-C4' energy: -158.870 flat angles C4'-P-C4' energy: -124.545 flat angles P-C4'-P energy: -70.390 tors. eta vs tors. theta energy: 1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -815.520386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.520386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.520386 (E_RNA) where: Base-Base interactions energy: -413.088 where: short stacking energy: -231.959 Base-Backbone interact. energy: 2.944 local terms energy: -405.376470 where: bonds (distance) C4'-P energy: -115.559 bonds (distance) P-C4' energy: -115.185 flat angles C4'-P-C4' energy: -151.081 flat angles P-C4'-P energy: -40.198 tors. eta vs tors. theta energy: 16.646 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: 1, replica: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2869.922100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.922100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.922100 (E_RNA) where: Base-Base interactions energy: -2011.400 where: short stacking energy: -829.336 Base-Backbone interact. energy: -3.522 local terms energy: -855.000039 where: bonds (distance) C4'-P energy: -169.143 bonds (distance) P-C4' energy: -152.595 flat angles C4'-P-C4' energy: -182.021 flat angles P-C4'-P energy: -117.485 tors. eta vs tors. theta energy: -233.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2748.326188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.326188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.326188 (E_RNA) where: Base-Base interactions energy: -1887.584 where: short stacking energy: -810.951 Base-Backbone interact. energy: -1.770 local terms energy: -858.971604 where: bonds (distance) C4'-P energy: -145.146 bonds (distance) P-C4' energy: -164.399 flat angles C4'-P-C4' energy: -174.784 flat angles P-C4'-P energy: -128.518 tors. eta vs tors. theta energy: -246.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2624.521687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.521687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.521687 (E_RNA) where: Base-Base interactions energy: -1815.332 where: short stacking energy: -743.572 Base-Backbone interact. energy: 3.159 local terms energy: -812.348660 where: bonds (distance) C4'-P energy: -142.296 bonds (distance) P-C4' energy: -161.765 flat angles C4'-P-C4' energy: -178.481 flat angles P-C4'-P energy: -109.362 tors. eta vs tors. theta energy: -220.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2453.436240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.436240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.436240 (E_RNA) where: Base-Base interactions energy: -1658.743 where: short stacking energy: -743.397 Base-Backbone interact. energy: 3.343 local terms energy: -798.035697 where: bonds (distance) C4'-P energy: -161.606 bonds (distance) P-C4' energy: -160.932 flat angles C4'-P-C4' energy: -164.592 flat angles P-C4'-P energy: -108.444 tors. eta vs tors. theta energy: -202.461 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: 2 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2301.476816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.476816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.476816 (E_RNA) where: Base-Base interactions energy: -1543.777 where: short stacking energy: -656.005 Base-Backbone interact. energy: 0.471 local terms energy: -758.170528 where: bonds (distance) C4'-P energy: -145.352 bonds (distance) P-C4' energy: -158.704 flat angles C4'-P-C4' energy: -175.917 flat angles P-C4'-P energy: -100.233 tors. eta vs tors. theta energy: -177.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1988.632931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.632931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.632931 (E_RNA) where: Base-Base interactions energy: -1326.624 where: short stacking energy: -628.526 Base-Backbone interact. energy: -1.524 local terms energy: -660.485419 where: bonds (distance) C4'-P energy: -143.779 bonds (distance) P-C4' energy: -135.953 flat angles C4'-P-C4' energy: -151.479 flat angles P-C4'-P energy: -88.026 tors. eta vs tors. theta energy: -141.248 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: 8 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1884.784538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.784538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.784538 (E_RNA) where: Base-Base interactions energy: -1229.878 where: short stacking energy: -548.141 Base-Backbone interact. energy: 1.041 local terms energy: -655.947378 where: bonds (distance) C4'-P energy: -128.336 bonds (distance) P-C4' energy: -146.435 flat angles C4'-P-C4' energy: -156.761 flat angles P-C4'-P energy: -90.911 tors. eta vs tors. theta energy: -133.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1468.778078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.778078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.778078 (E_RNA) where: Base-Base interactions energy: -928.956 where: short stacking energy: -441.713 Base-Backbone interact. energy: -0.585 local terms energy: -539.237729 where: bonds (distance) C4'-P energy: -109.444 bonds (distance) P-C4' energy: -124.237 flat angles C4'-P-C4' energy: -132.207 flat angles P-C4'-P energy: -83.621 tors. eta vs tors. theta energy: -89.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -818.934312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.934312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.934312 (E_RNA) where: Base-Base interactions energy: -366.201 where: short stacking energy: -225.697 Base-Backbone interact. energy: -2.349 local terms energy: -450.384656 where: bonds (distance) C4'-P energy: -111.861 bonds (distance) P-C4' energy: -162.973 flat angles C4'-P-C4' energy: -92.348 flat angles P-C4'-P energy: -74.347 tors. eta vs tors. theta energy: -8.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -811.060385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.060385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.060385 (E_RNA) where: Base-Base interactions energy: -393.646 where: short stacking energy: -234.124 Base-Backbone interact. energy: 4.734 local terms energy: -422.149041 where: bonds (distance) C4'-P energy: -114.309 bonds (distance) P-C4' energy: -138.133 flat angles C4'-P-C4' energy: -126.009 flat angles P-C4'-P energy: -58.701 tors. eta vs tors. theta energy: 15.002 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: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2864.289435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.289435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.289435 (E_RNA) where: Base-Base interactions energy: -2011.113 where: short stacking energy: -821.536 Base-Backbone interact. energy: 4.413 local terms energy: -857.588896 where: bonds (distance) C4'-P energy: -155.091 bonds (distance) P-C4' energy: -154.075 flat angles C4'-P-C4' energy: -185.949 flat angles P-C4'-P energy: -122.555 tors. eta vs tors. theta energy: -239.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2766.830200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.830200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.830200 (E_RNA) where: Base-Base interactions energy: -1902.331 where: short stacking energy: -801.616 Base-Backbone interact. energy: -5.864 local terms energy: -858.634868 where: bonds (distance) C4'-P energy: -157.993 bonds (distance) P-C4' energy: -152.240 flat angles C4'-P-C4' energy: -195.832 flat angles P-C4'-P energy: -117.795 tors. eta vs tors. theta energy: -234.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2593.638098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.638098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.638098 (E_RNA) where: Base-Base interactions energy: -1783.276 where: short stacking energy: -748.536 Base-Backbone interact. energy: -1.221 local terms energy: -809.141508 where: bonds (distance) C4'-P energy: -151.073 bonds (distance) P-C4' energy: -144.864 flat angles C4'-P-C4' energy: -173.495 flat angles P-C4'-P energy: -121.009 tors. eta vs tors. theta energy: -218.701 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: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2446.465078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.465078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.465078 (E_RNA) where: Base-Base interactions energy: -1654.732 where: short stacking energy: -715.393 Base-Backbone interact. energy: -3.931 local terms energy: -787.802154 where: bonds (distance) C4'-P energy: -150.903 bonds (distance) P-C4' energy: -154.572 flat angles C4'-P-C4' energy: -177.517 flat angles P-C4'-P energy: -110.568 tors. eta vs tors. theta energy: -194.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2382.100630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.100630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.100630 (E_RNA) where: Base-Base interactions energy: -1620.553 where: short stacking energy: -716.886 Base-Backbone interact. energy: -0.027 local terms energy: -761.520174 where: bonds (distance) C4'-P energy: -122.553 bonds (distance) P-C4' energy: -167.348 flat angles C4'-P-C4' energy: -171.069 flat angles P-C4'-P energy: -113.327 tors. eta vs tors. theta energy: -187.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2026.395827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.395827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.395827 (E_RNA) where: Base-Base interactions energy: -1301.512 where: short stacking energy: -603.749 Base-Backbone interact. energy: 0.164 local terms energy: -725.047728 where: bonds (distance) C4'-P energy: -134.730 bonds (distance) P-C4' energy: -158.308 flat angles C4'-P-C4' energy: -165.163 flat angles P-C4'-P energy: -105.520 tors. eta vs tors. theta energy: -161.326 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: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1877.917905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.917905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.917905 (E_RNA) where: Base-Base interactions energy: -1229.100 where: short stacking energy: -550.110 Base-Backbone interact. energy: -2.008 local terms energy: -646.810559 where: bonds (distance) C4'-P energy: -121.631 bonds (distance) P-C4' energy: -143.592 flat angles C4'-P-C4' energy: -161.371 flat angles P-C4'-P energy: -73.697 tors. eta vs tors. theta energy: -146.519 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: 8, replica: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1375.093073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.093073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.093073 (E_RNA) where: Base-Base interactions energy: -795.388 where: short stacking energy: -375.691 Base-Backbone interact. energy: 9.143 local terms energy: -588.847751 where: bonds (distance) C4'-P energy: -143.569 bonds (distance) P-C4' energy: -142.725 flat angles C4'-P-C4' energy: -142.941 flat angles P-C4'-P energy: -100.465 tors. eta vs tors. theta energy: -59.147 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: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -851.949909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.949909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.949909 (E_RNA) where: Base-Base interactions energy: -398.781 where: short stacking energy: -252.804 Base-Backbone interact. energy: 0.239 local terms energy: -453.407756 where: bonds (distance) C4'-P energy: -134.479 bonds (distance) P-C4' energy: -130.953 flat angles C4'-P-C4' energy: -120.852 flat angles P-C4'-P energy: -78.809 tors. eta vs tors. theta energy: 11.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -743.326777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.326777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.326777 (E_RNA) where: Base-Base interactions energy: -326.117 where: short stacking energy: -188.820 Base-Backbone interact. energy: -3.012 local terms energy: -414.197687 where: bonds (distance) C4'-P energy: -138.312 bonds (distance) P-C4' energy: -146.337 flat angles C4'-P-C4' energy: -112.662 flat angles P-C4'-P energy: -36.387 tors. eta vs tors. theta energy: 19.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2870.107943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.107943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.107943 (E_RNA) where: Base-Base interactions energy: -1985.041 where: short stacking energy: -859.088 Base-Backbone interact. energy: 1.046 local terms energy: -886.112854 where: bonds (distance) C4'-P energy: -159.757 bonds (distance) P-C4' energy: -158.186 flat angles C4'-P-C4' energy: -185.727 flat angles P-C4'-P energy: -129.346 tors. eta vs tors. theta energy: -253.097 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: 273 Temperature: 0.950000 Total energy: -2759.438257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.438257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.438257 (E_RNA) where: Base-Base interactions energy: -1881.128 where: short stacking energy: -798.854 Base-Backbone interact. energy: -2.215 local terms energy: -876.095382 where: bonds (distance) C4'-P energy: -172.384 bonds (distance) P-C4' energy: -183.724 flat angles C4'-P-C4' energy: -179.242 flat angles P-C4'-P energy: -112.462 tors. eta vs tors. theta energy: -228.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2629.028303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.028303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.028303 (E_RNA) where: Base-Base interactions energy: -1806.013 where: short stacking energy: -776.459 Base-Backbone interact. energy: -2.812 local terms energy: -820.202485 where: bonds (distance) C4'-P energy: -157.623 bonds (distance) P-C4' energy: -134.783 flat angles C4'-P-C4' energy: -175.289 flat angles P-C4'-P energy: -118.685 tors. eta vs tors. theta energy: -233.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2475.900703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.900703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.900703 (E_RNA) where: Base-Base interactions energy: -1653.381 where: short stacking energy: -705.784 Base-Backbone interact. energy: -2.099 local terms energy: -820.420764 where: bonds (distance) C4'-P energy: -158.657 bonds (distance) P-C4' energy: -155.236 flat angles C4'-P-C4' energy: -167.981 flat angles P-C4'-P energy: -122.653 tors. eta vs tors. theta energy: -215.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2391.421812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.421812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.421812 (E_RNA) where: Base-Base interactions energy: -1624.632 where: short stacking energy: -674.378 Base-Backbone interact. energy: -3.616 local terms energy: -763.173832 where: bonds (distance) C4'-P energy: -132.374 bonds (distance) P-C4' energy: -162.541 flat angles C4'-P-C4' energy: -177.122 flat angles P-C4'-P energy: -114.703 tors. eta vs tors. theta energy: -176.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2049.948888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.948888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.948888 (E_RNA) where: Base-Base interactions energy: -1343.251 where: short stacking energy: -625.843 Base-Backbone interact. energy: -0.422 local terms energy: -706.275330 where: bonds (distance) C4'-P energy: -136.977 bonds (distance) P-C4' energy: -154.476 flat angles C4'-P-C4' energy: -140.644 flat angles P-C4'-P energy: -96.473 tors. eta vs tors. theta energy: -177.705 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: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1819.946182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.946182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.946182 (E_RNA) where: Base-Base interactions energy: -1162.141 where: short stacking energy: -536.134 Base-Backbone interact. energy: 0.279 local terms energy: -658.084524 where: bonds (distance) C4'-P energy: -126.021 bonds (distance) P-C4' energy: -135.026 flat angles C4'-P-C4' energy: -158.975 flat angles P-C4'-P energy: -97.070 tors. eta vs tors. theta energy: -140.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1376.004808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.004808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.004808 (E_RNA) where: Base-Base interactions energy: -831.304 where: short stacking energy: -402.343 Base-Backbone interact. energy: -3.423 local terms energy: -541.278678 where: bonds (distance) C4'-P energy: -112.330 bonds (distance) P-C4' energy: -138.289 flat angles C4'-P-C4' energy: -143.649 flat angles P-C4'-P energy: -81.918 tors. eta vs tors. theta energy: -65.093 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: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -886.010576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.010576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.010576 (E_RNA) where: Base-Base interactions energy: -399.273 where: short stacking energy: -250.365 Base-Backbone interact. energy: -0.724 local terms energy: -486.012941 where: bonds (distance) C4'-P energy: -136.793 bonds (distance) P-C4' energy: -135.184 flat angles C4'-P-C4' energy: -123.002 flat angles P-C4'-P energy: -76.306 tors. eta vs tors. theta energy: -14.728 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: 10, replica: 6 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -740.554586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.554586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.554586 (E_RNA) where: Base-Base interactions energy: -334.152 where: short stacking energy: -224.646 Base-Backbone interact. energy: 1.160 local terms energy: -407.562500 where: bonds (distance) C4'-P energy: -126.562 bonds (distance) P-C4' energy: -116.714 flat angles C4'-P-C4' energy: -117.007 flat angles P-C4'-P energy: -61.018 tors. eta vs tors. theta energy: 13.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2855.837398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.837398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.837398 (E_RNA) where: Base-Base interactions energy: -1968.596 where: short stacking energy: -830.362 Base-Backbone interact. energy: -0.346 local terms energy: -886.895135 where: bonds (distance) C4'-P energy: -162.022 bonds (distance) P-C4' energy: -158.244 flat angles C4'-P-C4' energy: -190.737 flat angles P-C4'-P energy: -130.748 tors. eta vs tors. theta energy: -245.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2737.838489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.838489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.838489 (E_RNA) where: Base-Base interactions energy: -1891.016 where: short stacking energy: -796.236 Base-Backbone interact. energy: -2.162 local terms energy: -844.660383 where: bonds (distance) C4'-P energy: -150.065 bonds (distance) P-C4' energy: -157.209 flat angles C4'-P-C4' energy: -181.030 flat angles P-C4'-P energy: -122.580 tors. eta vs tors. theta energy: -233.777 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: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2605.809635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.809635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.809635 (E_RNA) where: Base-Base interactions energy: -1769.512 where: short stacking energy: -765.917 Base-Backbone interact. energy: -3.005 local terms energy: -833.292117 where: bonds (distance) C4'-P energy: -156.898 bonds (distance) P-C4' energy: -161.321 flat angles C4'-P-C4' energy: -171.801 flat angles P-C4'-P energy: -115.898 tors. eta vs tors. theta energy: -227.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2491.873798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.873798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.873798 (E_RNA) where: Base-Base interactions energy: -1708.451 where: short stacking energy: -769.504 Base-Backbone interact. energy: -1.921 local terms energy: -781.501388 where: bonds (distance) C4'-P energy: -140.985 bonds (distance) P-C4' energy: -151.567 flat angles C4'-P-C4' energy: -167.606 flat angles P-C4'-P energy: -103.792 tors. eta vs tors. theta energy: -217.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2381.862310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.862310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.862310 (E_RNA) where: Base-Base interactions energy: -1668.201 where: short stacking energy: -681.645 Base-Backbone interact. energy: 6.251 local terms energy: -719.912428 where: bonds (distance) C4'-P energy: -120.093 bonds (distance) P-C4' energy: -145.298 flat angles C4'-P-C4' energy: -146.508 flat angles P-C4'-P energy: -120.024 tors. eta vs tors. theta energy: -187.989 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: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2044.819694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.819694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.819694 (E_RNA) where: Base-Base interactions energy: -1328.154 where: short stacking energy: -580.295 Base-Backbone interact. energy: -2.005 local terms energy: -714.660611 where: bonds (distance) C4'-P energy: -129.809 bonds (distance) P-C4' energy: -145.777 flat angles C4'-P-C4' energy: -162.994 flat angles P-C4'-P energy: -102.143 tors. eta vs tors. theta energy: -173.938 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: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1913.182550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.182550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.182550 (E_RNA) where: Base-Base interactions energy: -1271.641 where: short stacking energy: -541.386 Base-Backbone interact. energy: -4.888 local terms energy: -636.652752 where: bonds (distance) C4'-P energy: -130.956 bonds (distance) P-C4' energy: -122.521 flat angles C4'-P-C4' energy: -158.500 flat angles P-C4'-P energy: -88.336 tors. eta vs tors. theta energy: -136.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1394.810484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.810484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.810484 (E_RNA) where: Base-Base interactions energy: -875.128 where: short stacking energy: -408.195 Base-Backbone interact. energy: 9.578 local terms energy: -529.260455 where: bonds (distance) C4'-P energy: -112.119 bonds (distance) P-C4' energy: -131.341 flat angles C4'-P-C4' energy: -143.736 flat angles P-C4'-P energy: -71.393 tors. eta vs tors. theta energy: -70.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -889.745791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.745791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.745791 (E_RNA) where: Base-Base interactions energy: -432.670 where: short stacking energy: -277.274 Base-Backbone interact. energy: 1.365 local terms energy: -458.441318 where: bonds (distance) C4'-P energy: -134.111 bonds (distance) P-C4' energy: -135.148 flat angles C4'-P-C4' energy: -114.413 flat angles P-C4'-P energy: -78.331 tors. eta vs tors. theta energy: 3.562 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: 10, replica: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -704.512983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.512983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.512983 (E_RNA) where: Base-Base interactions energy: -294.322 where: short stacking energy: -211.761 Base-Backbone interact. energy: 1.561 local terms energy: -411.752202 where: bonds (distance) C4'-P energy: -136.294 bonds (distance) P-C4' energy: -150.238 flat angles C4'-P-C4' energy: -97.034 flat angles P-C4'-P energy: -46.144 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: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2885.012626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.012626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.012626 (E_RNA) where: Base-Base interactions energy: -2008.159 where: short stacking energy: -818.265 Base-Backbone interact. energy: -1.688 local terms energy: -875.165603 where: bonds (distance) C4'-P energy: -162.109 bonds (distance) P-C4' energy: -175.523 flat angles C4'-P-C4' energy: -176.999 flat angles P-C4'-P energy: -122.872 tors. eta vs tors. theta energy: -237.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2755.528584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.528584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.528584 (E_RNA) where: Base-Base interactions energy: -1904.121 where: short stacking energy: -799.876 Base-Backbone interact. energy: 1.874 local terms energy: -853.281671 where: bonds (distance) C4'-P energy: -150.504 bonds (distance) P-C4' energy: -172.176 flat angles C4'-P-C4' energy: -176.011 flat angles P-C4'-P energy: -121.697 tors. eta vs tors. theta energy: -232.893 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: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2618.515787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.515787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.515787 (E_RNA) where: Base-Base interactions energy: -1799.804 where: short stacking energy: -777.232 Base-Backbone interact. energy: -6.012 local terms energy: -812.698965 where: bonds (distance) C4'-P energy: -141.849 bonds (distance) P-C4' energy: -152.961 flat angles C4'-P-C4' energy: -182.050 flat angles P-C4'-P energy: -120.807 tors. eta vs tors. theta energy: -215.033 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: 4, replica: 10 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2454.046942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.046942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.046942 (E_RNA) where: Base-Base interactions energy: -1641.979 where: short stacking energy: -747.475 Base-Backbone interact. energy: -2.462 local terms energy: -809.606386 where: bonds (distance) C4'-P energy: -137.453 bonds (distance) P-C4' energy: -167.323 flat angles C4'-P-C4' energy: -182.797 flat angles P-C4'-P energy: -112.741 tors. eta vs tors. theta energy: -209.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2412.227949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.227949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.227949 (E_RNA) where: Base-Base interactions energy: -1649.944 where: short stacking energy: -717.912 Base-Backbone interact. energy: -1.382 local terms energy: -760.902285 where: bonds (distance) C4'-P energy: -145.699 bonds (distance) P-C4' energy: -138.409 flat angles C4'-P-C4' energy: -173.822 flat angles P-C4'-P energy: -87.109 tors. eta vs tors. theta energy: -215.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1980.907165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.907165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.907165 (E_RNA) where: Base-Base interactions energy: -1306.702 where: short stacking energy: -578.408 Base-Backbone interact. energy: -1.338 local terms energy: -672.867513 where: bonds (distance) C4'-P energy: -130.706 bonds (distance) P-C4' energy: -135.489 flat angles C4'-P-C4' energy: -156.131 flat angles P-C4'-P energy: -105.923 tors. eta vs tors. theta energy: -144.618 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: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1914.243807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.243807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.243807 (E_RNA) where: Base-Base interactions energy: -1276.163 where: short stacking energy: -585.030 Base-Backbone interact. energy: -1.953 local terms energy: -636.127049 where: bonds (distance) C4'-P energy: -119.490 bonds (distance) P-C4' energy: -132.119 flat angles C4'-P-C4' energy: -144.254 flat angles P-C4'-P energy: -91.079 tors. eta vs tors. theta energy: -149.185 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: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1453.997897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.997897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.997897 (E_RNA) where: Base-Base interactions energy: -883.649 where: short stacking energy: -428.507 Base-Backbone interact. energy: 0.976 local terms energy: -571.325297 where: bonds (distance) C4'-P energy: -133.862 bonds (distance) P-C4' energy: -138.468 flat angles C4'-P-C4' energy: -139.278 flat angles P-C4'-P energy: -71.293 tors. eta vs tors. theta energy: -88.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -879.630642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.630642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.630642 (E_RNA) where: Base-Base interactions energy: -434.893 where: short stacking energy: -251.995 Base-Backbone interact. energy: 1.347 local terms energy: -446.084151 where: bonds (distance) C4'-P energy: -131.761 bonds (distance) P-C4' energy: -134.852 flat angles C4'-P-C4' energy: -112.050 flat angles P-C4'-P energy: -64.942 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: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -723.288221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.288221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.288221 (E_RNA) where: Base-Base interactions energy: -258.561 where: short stacking energy: -171.376 Base-Backbone interact. energy: -3.026 local terms energy: -461.701311 where: bonds (distance) C4'-P energy: -133.863 bonds (distance) P-C4' energy: -155.708 flat angles C4'-P-C4' energy: -108.217 flat angles P-C4'-P energy: -83.946 tors. eta vs tors. theta energy: 20.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2871.040943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.040943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.040943 (E_RNA) where: Base-Base interactions energy: -1977.000 where: short stacking energy: -829.660 Base-Backbone interact. energy: -10.184 local terms energy: -883.857553 where: bonds (distance) C4'-P energy: -154.366 bonds (distance) P-C4' energy: -174.478 flat angles C4'-P-C4' energy: -181.058 flat angles P-C4'-P energy: -126.696 tors. eta vs tors. theta energy: -247.260 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: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2727.678510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.678510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.678510 (E_RNA) where: Base-Base interactions energy: -1880.177 where: short stacking energy: -794.412 Base-Backbone interact. energy: 3.965 local terms energy: -851.466503 where: bonds (distance) C4'-P energy: -134.608 bonds (distance) P-C4' energy: -175.844 flat angles C4'-P-C4' energy: -192.304 flat angles P-C4'-P energy: -123.132 tors. eta vs tors. theta energy: -225.579 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: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2629.455968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.455968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.455968 (E_RNA) where: Base-Base interactions energy: -1794.704 where: short stacking energy: -797.563 Base-Backbone interact. energy: -5.758 local terms energy: -828.993822 where: bonds (distance) C4'-P energy: -142.830 bonds (distance) P-C4' energy: -143.795 flat angles C4'-P-C4' energy: -182.255 flat angles P-C4'-P energy: -128.497 tors. eta vs tors. theta energy: -231.617 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: 4, replica: 10 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2420.935208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.935208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.935208 (E_RNA) where: Base-Base interactions energy: -1604.218 where: short stacking energy: -736.201 Base-Backbone interact. energy: 5.855 local terms energy: -822.572723 where: bonds (distance) C4'-P energy: -157.039 bonds (distance) P-C4' energy: -150.209 flat angles C4'-P-C4' energy: -168.536 flat angles P-C4'-P energy: -119.929 tors. eta vs tors. theta energy: -226.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2367.014388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.014388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.014388 (E_RNA) where: Base-Base interactions energy: -1603.013 where: short stacking energy: -687.553 Base-Backbone interact. energy: -1.709 local terms energy: -762.292682 where: bonds (distance) C4'-P energy: -148.457 bonds (distance) P-C4' energy: -135.205 flat angles C4'-P-C4' energy: -168.897 flat angles P-C4'-P energy: -111.930 tors. eta vs tors. theta energy: -197.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1956.024236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.024236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.024236 (E_RNA) where: Base-Base interactions energy: -1293.386 where: short stacking energy: -577.551 Base-Backbone interact. energy: -1.746 local terms energy: -660.892566 where: bonds (distance) C4'-P energy: -120.056 bonds (distance) P-C4' energy: -143.587 flat angles C4'-P-C4' energy: -164.407 flat angles P-C4'-P energy: -102.453 tors. eta vs tors. theta energy: -130.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1847.058436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.058436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.058436 (E_RNA) where: Base-Base interactions energy: -1201.886 where: short stacking energy: -529.774 Base-Backbone interact. energy: -1.235 local terms energy: -643.936831 where: bonds (distance) C4'-P energy: -141.325 bonds (distance) P-C4' energy: -155.840 flat angles C4'-P-C4' energy: -138.203 flat angles P-C4'-P energy: -84.455 tors. eta vs tors. theta energy: -124.114 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: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1495.268948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.268948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.268948 (E_RNA) where: Base-Base interactions energy: -941.255 where: short stacking energy: -433.875 Base-Backbone interact. energy: -4.413 local terms energy: -549.600974 where: bonds (distance) C4'-P energy: -125.495 bonds (distance) P-C4' energy: -128.116 flat angles C4'-P-C4' energy: -138.059 flat angles P-C4'-P energy: -84.142 tors. eta vs tors. theta energy: -73.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -885.386131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.386131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.386131 (E_RNA) where: Base-Base interactions energy: -436.468 where: short stacking energy: -276.810 Base-Backbone interact. energy: 2.633 local terms energy: -451.551649 where: bonds (distance) C4'-P energy: -132.325 bonds (distance) P-C4' energy: -127.347 flat angles C4'-P-C4' energy: -118.160 flat angles P-C4'-P energy: -64.496 tors. eta vs tors. theta energy: -9.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -866.667802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.667802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.667802 (E_RNA) where: Base-Base interactions energy: -449.350 where: short stacking energy: -259.160 Base-Backbone interact. energy: 3.944 local terms energy: -421.261656 where: bonds (distance) C4'-P energy: -127.936 bonds (distance) P-C4' energy: -125.233 flat angles C4'-P-C4' energy: -116.492 flat angles P-C4'-P energy: -58.813 tors. eta vs tors. theta energy: 7.212 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: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2894.572370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.572370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.572370 (E_RNA) where: Base-Base interactions energy: -2024.032 where: short stacking energy: -850.301 Base-Backbone interact. energy: 4.826 local terms energy: -875.366995 where: bonds (distance) C4'-P energy: -147.603 bonds (distance) P-C4' energy: -170.466 flat angles C4'-P-C4' energy: -180.911 flat angles P-C4'-P energy: -125.034 tors. eta vs tors. theta energy: -251.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2719.148135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.148135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.148135 (E_RNA) where: Base-Base interactions energy: -1876.363 where: short stacking energy: -797.209 Base-Backbone interact. energy: -2.557 local terms energy: -840.227555 where: bonds (distance) C4'-P energy: -159.596 bonds (distance) P-C4' energy: -152.154 flat angles C4'-P-C4' energy: -185.033 flat angles P-C4'-P energy: -112.545 tors. eta vs tors. theta energy: -230.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2642.743719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.743719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.743719 (E_RNA) where: Base-Base interactions energy: -1849.466 where: short stacking energy: -778.566 Base-Backbone interact. energy: -1.080 local terms energy: -792.198343 where: bonds (distance) C4'-P energy: -154.394 bonds (distance) P-C4' energy: -137.127 flat angles C4'-P-C4' energy: -174.450 flat angles P-C4'-P energy: -109.552 tors. eta vs tors. theta energy: -216.675 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: 10 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2471.323886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.323886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.323886 (E_RNA) where: Base-Base interactions energy: -1663.604 where: short stacking energy: -765.404 Base-Backbone interact. energy: 2.508 local terms energy: -810.228432 where: bonds (distance) C4'-P energy: -147.445 bonds (distance) P-C4' energy: -170.887 flat angles C4'-P-C4' energy: -170.814 flat angles P-C4'-P energy: -106.161 tors. eta vs tors. theta energy: -214.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2315.350903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.350903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.350903 (E_RNA) where: Base-Base interactions energy: -1552.570 where: short stacking energy: -689.974 Base-Backbone interact. energy: -4.625 local terms energy: -758.155638 where: bonds (distance) C4'-P energy: -127.188 bonds (distance) P-C4' energy: -140.746 flat angles C4'-P-C4' energy: -182.504 flat angles P-C4'-P energy: -105.528 tors. eta vs tors. theta energy: -202.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2020.783042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.783042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.783042 (E_RNA) where: Base-Base interactions energy: -1318.818 where: short stacking energy: -597.515 Base-Backbone interact. energy: -3.202 local terms energy: -698.762913 where: bonds (distance) C4'-P energy: -142.941 bonds (distance) P-C4' energy: -151.608 flat angles C4'-P-C4' energy: -156.361 flat angles P-C4'-P energy: -96.290 tors. eta vs tors. theta energy: -151.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1875.081776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.081776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.081776 (E_RNA) where: Base-Base interactions energy: -1240.643 where: short stacking energy: -541.828 Base-Backbone interact. energy: 1.278 local terms energy: -635.716789 where: bonds (distance) C4'-P energy: -137.508 bonds (distance) P-C4' energy: -138.787 flat angles C4'-P-C4' energy: -136.378 flat angles P-C4'-P energy: -99.776 tors. eta vs tors. theta energy: -123.267 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: 4 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1500.307805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.307805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.307805 (E_RNA) where: Base-Base interactions energy: -978.020 where: short stacking energy: -450.116 Base-Backbone interact. energy: 1.694 local terms energy: -523.981276 where: bonds (distance) C4'-P energy: -103.965 bonds (distance) P-C4' energy: -126.921 flat angles C4'-P-C4' energy: -129.954 flat angles P-C4'-P energy: -80.185 tors. eta vs tors. theta energy: -82.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -878.472156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.472156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.472156 (E_RNA) where: Base-Base interactions energy: -415.971 where: short stacking energy: -253.936 Base-Backbone interact. energy: -2.394 local terms energy: -460.106889 where: bonds (distance) C4'-P energy: -131.156 bonds (distance) P-C4' energy: -142.160 flat angles C4'-P-C4' energy: -89.617 flat angles P-C4'-P energy: -77.020 tors. eta vs tors. theta energy: -20.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -817.974765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.974765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.974765 (E_RNA) where: Base-Base interactions energy: -401.777 where: short stacking energy: -214.805 Base-Backbone interact. energy: 0.771 local terms energy: -416.968377 where: bonds (distance) C4'-P energy: -123.573 bonds (distance) P-C4' energy: -131.555 flat angles C4'-P-C4' energy: -113.168 flat angles P-C4'-P energy: -61.074 tors. eta vs tors. theta energy: 12.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2914.414941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.414941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.414941 (E_RNA) where: Base-Base interactions energy: -2002.587 where: short stacking energy: -826.789 Base-Backbone interact. energy: -1.539 local terms energy: -910.288859 where: bonds (distance) C4'-P energy: -178.093 bonds (distance) P-C4' energy: -164.396 flat angles C4'-P-C4' energy: -193.898 flat angles P-C4'-P energy: -127.869 tors. eta vs tors. theta energy: -246.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2734.218233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.218233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.218233 (E_RNA) where: Base-Base interactions energy: -1885.447 where: short stacking energy: -796.612 Base-Backbone interact. energy: 0.384 local terms energy: -849.154960 where: bonds (distance) C4'-P energy: -130.412 bonds (distance) P-C4' energy: -170.399 flat angles C4'-P-C4' energy: -189.423 flat angles P-C4'-P energy: -128.251 tors. eta vs tors. theta energy: -230.670 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: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2631.236472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.236472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.236472 (E_RNA) where: Base-Base interactions energy: -1810.511 where: short stacking energy: -758.199 Base-Backbone interact. energy: -0.531 local terms energy: -820.194393 where: bonds (distance) C4'-P energy: -137.430 bonds (distance) P-C4' energy: -169.614 flat angles C4'-P-C4' energy: -181.703 flat angles P-C4'-P energy: -113.530 tors. eta vs tors. theta energy: -217.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2460.986638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.986638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.986638 (E_RNA) where: Base-Base interactions energy: -1639.720 where: short stacking energy: -706.730 Base-Backbone interact. energy: -2.442 local terms energy: -818.824067 where: bonds (distance) C4'-P energy: -139.098 bonds (distance) P-C4' energy: -167.058 flat angles C4'-P-C4' energy: -183.927 flat angles P-C4'-P energy: -121.482 tors. eta vs tors. theta energy: -207.259 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: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2328.992800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.992800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.992800 (E_RNA) where: Base-Base interactions energy: -1573.311 where: short stacking energy: -669.132 Base-Backbone interact. energy: -1.623 local terms energy: -754.059053 where: bonds (distance) C4'-P energy: -135.922 bonds (distance) P-C4' energy: -152.347 flat angles C4'-P-C4' energy: -161.809 flat angles P-C4'-P energy: -113.271 tors. eta vs tors. theta energy: -190.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2011.415889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.415889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.415889 (E_RNA) where: Base-Base interactions energy: -1322.689 where: short stacking energy: -609.834 Base-Backbone interact. energy: -2.937 local terms energy: -685.789924 where: bonds (distance) C4'-P energy: -134.119 bonds (distance) P-C4' energy: -157.931 flat angles C4'-P-C4' energy: -159.254 flat angles P-C4'-P energy: -78.170 tors. eta vs tors. theta energy: -156.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1777.653804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.653804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.653804 (E_RNA) where: Base-Base interactions energy: -1138.270 where: short stacking energy: -489.507 Base-Backbone interact. energy: 1.627 local terms energy: -641.010376 where: bonds (distance) C4'-P energy: -112.195 bonds (distance) P-C4' energy: -160.160 flat angles C4'-P-C4' energy: -155.103 flat angles P-C4'-P energy: -93.922 tors. eta vs tors. theta energy: -119.631 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: 4 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1491.287953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.287953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.287953 (E_RNA) where: Base-Base interactions energy: -931.007 where: short stacking energy: -423.395 Base-Backbone interact. energy: -4.837 local terms energy: -555.443535 where: bonds (distance) C4'-P energy: -134.802 bonds (distance) P-C4' energy: -140.622 flat angles C4'-P-C4' energy: -123.694 flat angles P-C4'-P energy: -78.862 tors. eta vs tors. theta energy: -77.463 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: 6 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -908.542099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.542099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.542099 (E_RNA) where: Base-Base interactions energy: -451.283 where: short stacking energy: -283.226 Base-Backbone interact. energy: 2.715 local terms energy: -459.973207 where: bonds (distance) C4'-P energy: -126.756 bonds (distance) P-C4' energy: -147.269 flat angles C4'-P-C4' energy: -125.533 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -8.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -827.210066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.210066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.210066 (E_RNA) where: Base-Base interactions energy: -421.425 where: short stacking energy: -237.086 Base-Backbone interact. energy: 3.629 local terms energy: -409.414162 where: bonds (distance) C4'-P energy: -127.233 bonds (distance) P-C4' energy: -133.270 flat angles C4'-P-C4' energy: -105.491 flat angles P-C4'-P energy: -65.189 tors. eta vs tors. theta energy: 21.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2899.088912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.088912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.088912 (E_RNA) where: Base-Base interactions energy: -2010.485 where: short stacking energy: -829.323 Base-Backbone interact. energy: -3.123 local terms energy: -885.480255 where: bonds (distance) C4'-P energy: -152.804 bonds (distance) P-C4' energy: -158.514 flat angles C4'-P-C4' energy: -190.323 flat angles P-C4'-P energy: -133.275 tors. eta vs tors. theta energy: -250.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2755.556136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.556136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.556136 (E_RNA) where: Base-Base interactions energy: -1921.817 where: short stacking energy: -798.086 Base-Backbone interact. energy: -4.267 local terms energy: -829.471963 where: bonds (distance) C4'-P energy: -158.666 bonds (distance) P-C4' energy: -152.717 flat angles C4'-P-C4' energy: -185.255 flat angles P-C4'-P energy: -114.833 tors. eta vs tors. theta energy: -218.002 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: 1 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2624.545284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.545284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.545284 (E_RNA) where: Base-Base interactions energy: -1794.735 where: short stacking energy: -758.077 Base-Backbone interact. energy: 0.335 local terms energy: -830.145753 where: bonds (distance) C4'-P energy: -125.038 bonds (distance) P-C4' energy: -170.545 flat angles C4'-P-C4' energy: -178.909 flat angles P-C4'-P energy: -130.821 tors. eta vs tors. theta energy: -224.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2455.404821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.404821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.404821 (E_RNA) where: Base-Base interactions energy: -1661.615 where: short stacking energy: -731.057 Base-Backbone interact. energy: -2.893 local terms energy: -790.896726 where: bonds (distance) C4'-P energy: -156.258 bonds (distance) P-C4' energy: -149.323 flat angles C4'-P-C4' energy: -169.089 flat angles P-C4'-P energy: -109.924 tors. eta vs tors. theta energy: -206.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2381.652099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.652099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.652099 (E_RNA) where: Base-Base interactions energy: -1614.003 where: short stacking energy: -685.031 Base-Backbone interact. energy: -3.729 local terms energy: -763.920081 where: bonds (distance) C4'-P energy: -138.617 bonds (distance) P-C4' energy: -143.457 flat angles C4'-P-C4' energy: -171.851 flat angles P-C4'-P energy: -105.993 tors. eta vs tors. theta energy: -204.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2000.763111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.763111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.763111 (E_RNA) where: Base-Base interactions energy: -1319.068 where: short stacking energy: -601.210 Base-Backbone interact. energy: -0.730 local terms energy: -680.964725 where: bonds (distance) C4'-P energy: -143.945 bonds (distance) P-C4' energy: -155.259 flat angles C4'-P-C4' energy: -145.668 flat angles P-C4'-P energy: -88.256 tors. eta vs tors. theta energy: -147.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1782.995489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.995489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.995489 (E_RNA) where: Base-Base interactions energy: -1155.208 where: short stacking energy: -508.842 Base-Backbone interact. energy: 1.087 local terms energy: -628.873606 where: bonds (distance) C4'-P energy: -144.160 bonds (distance) P-C4' energy: -143.434 flat angles C4'-P-C4' energy: -144.037 flat angles P-C4'-P energy: -86.542 tors. eta vs tors. theta energy: -110.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1479.307585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.307585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.307585 (E_RNA) where: Base-Base interactions energy: -886.725 where: short stacking energy: -415.763 Base-Backbone interact. energy: -1.461 local terms energy: -591.121569 where: bonds (distance) C4'-P energy: -139.779 bonds (distance) P-C4' energy: -140.296 flat angles C4'-P-C4' energy: -153.928 flat angles P-C4'-P energy: -95.293 tors. eta vs tors. theta energy: -61.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -855.409491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.409491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.409491 (E_RNA) where: Base-Base interactions energy: -412.800 where: short stacking energy: -259.000 Base-Backbone interact. energy: 0.893 local terms energy: -443.502754 where: bonds (distance) C4'-P energy: -107.266 bonds (distance) P-C4' energy: -158.618 flat angles C4'-P-C4' energy: -125.230 flat angles P-C4'-P energy: -57.597 tors. eta vs tors. theta energy: 5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -859.703620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.703620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.703620 (E_RNA) where: Base-Base interactions energy: -401.965 where: short stacking energy: -244.256 Base-Backbone interact. energy: -2.453 local terms energy: -455.285924 where: bonds (distance) C4'-P energy: -134.304 bonds (distance) P-C4' energy: -151.901 flat angles C4'-P-C4' energy: -127.876 flat angles P-C4'-P energy: -54.177 tors. eta vs tors. theta energy: 12.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2901.201180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.201180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.201180 (E_RNA) where: Base-Base interactions energy: -2011.563 where: short stacking energy: -836.114 Base-Backbone interact. energy: -3.701 local terms energy: -885.937536 where: bonds (distance) C4'-P energy: -158.608 bonds (distance) P-C4' energy: -166.953 flat angles C4'-P-C4' energy: -194.969 flat angles P-C4'-P energy: -126.181 tors. eta vs tors. theta energy: -239.226 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: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2757.963956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.963956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.963956 (E_RNA) where: Base-Base interactions energy: -1903.106 where: short stacking energy: -813.550 Base-Backbone interact. energy: -3.173 local terms energy: -851.685033 where: bonds (distance) C4'-P energy: -156.726 bonds (distance) P-C4' energy: -162.049 flat angles C4'-P-C4' energy: -177.105 flat angles P-C4'-P energy: -129.551 tors. eta vs tors. theta energy: -226.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2643.564910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.564910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.564910 (E_RNA) where: Base-Base interactions energy: -1806.622 where: short stacking energy: -765.005 Base-Backbone interact. energy: -1.451 local terms energy: -835.491551 where: bonds (distance) C4'-P energy: -151.206 bonds (distance) P-C4' energy: -167.878 flat angles C4'-P-C4' energy: -171.134 flat angles P-C4'-P energy: -131.402 tors. eta vs tors. theta energy: -213.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2466.521664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.521664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.521664 (E_RNA) where: Base-Base interactions energy: -1654.338 where: short stacking energy: -717.693 Base-Backbone interact. energy: -0.843 local terms energy: -811.340943 where: bonds (distance) C4'-P energy: -151.199 bonds (distance) P-C4' energy: -161.395 flat angles C4'-P-C4' energy: -169.404 flat angles P-C4'-P energy: -130.054 tors. eta vs tors. theta energy: -199.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2368.859139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.859139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.859139 (E_RNA) where: Base-Base interactions energy: -1600.134 where: short stacking energy: -673.121 Base-Backbone interact. energy: -4.355 local terms energy: -764.370679 where: bonds (distance) C4'-P energy: -148.959 bonds (distance) P-C4' energy: -140.489 flat angles C4'-P-C4' energy: -166.727 flat angles P-C4'-P energy: -102.950 tors. eta vs tors. theta energy: -205.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1987.411844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.411844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.411844 (E_RNA) where: Base-Base interactions energy: -1311.128 where: short stacking energy: -579.840 Base-Backbone interact. energy: -3.373 local terms energy: -672.910558 where: bonds (distance) C4'-P energy: -130.340 bonds (distance) P-C4' energy: -160.195 flat angles C4'-P-C4' energy: -147.064 flat angles P-C4'-P energy: -97.666 tors. eta vs tors. theta energy: -137.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1797.588369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.588369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.588369 (E_RNA) where: Base-Base interactions energy: -1138.579 where: short stacking energy: -524.522 Base-Backbone interact. energy: -6.090 local terms energy: -652.918783 where: bonds (distance) C4'-P energy: -127.767 bonds (distance) P-C4' energy: -133.771 flat angles C4'-P-C4' energy: -149.519 flat angles P-C4'-P energy: -110.072 tors. eta vs tors. theta energy: -131.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1508.021137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.021137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.021137 (E_RNA) where: Base-Base interactions energy: -923.783 where: short stacking energy: -447.540 Base-Backbone interact. energy: -1.747 local terms energy: -582.491174 where: bonds (distance) C4'-P energy: -131.449 bonds (distance) P-C4' energy: -150.008 flat angles C4'-P-C4' energy: -141.579 flat angles P-C4'-P energy: -66.709 tors. eta vs tors. theta energy: -92.747 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: 6 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -851.620839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.620839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.620839 (E_RNA) where: Base-Base interactions energy: -380.480 where: short stacking energy: -221.975 Base-Backbone interact. energy: -0.618 local terms energy: -470.522394 where: bonds (distance) C4'-P energy: -142.067 bonds (distance) P-C4' energy: -148.383 flat angles C4'-P-C4' energy: -101.512 flat angles P-C4'-P energy: -73.567 tors. eta vs tors. theta energy: -4.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -842.520279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.520279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.520279 (E_RNA) where: Base-Base interactions energy: -401.404 where: short stacking energy: -232.174 Base-Backbone interact. energy: 0.384 local terms energy: -441.500265 where: bonds (distance) C4'-P energy: -129.015 bonds (distance) P-C4' energy: -153.403 flat angles C4'-P-C4' energy: -84.668 flat angles P-C4'-P energy: -74.163 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2902.341607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.341607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.341607 (E_RNA) where: Base-Base interactions energy: -2011.308 where: short stacking energy: -811.903 Base-Backbone interact. energy: -8.031 local terms energy: -883.002040 where: bonds (distance) C4'-P energy: -161.151 bonds (distance) P-C4' energy: -161.409 flat angles C4'-P-C4' energy: -195.943 flat angles P-C4'-P energy: -121.824 tors. eta vs tors. theta energy: -242.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2729.593423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.593423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.593423 (E_RNA) where: Base-Base interactions energy: -1899.871 where: short stacking energy: -809.496 Base-Backbone interact. energy: 2.312 local terms energy: -832.034453 where: bonds (distance) C4'-P energy: -156.720 bonds (distance) P-C4' energy: -150.143 flat angles C4'-P-C4' energy: -176.339 flat angles P-C4'-P energy: -113.334 tors. eta vs tors. theta energy: -235.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2639.865335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.865335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.865335 (E_RNA) where: Base-Base interactions energy: -1799.824 where: short stacking energy: -751.551 Base-Backbone interact. energy: -3.539 local terms energy: -836.502781 where: bonds (distance) C4'-P energy: -145.685 bonds (distance) P-C4' energy: -157.738 flat angles C4'-P-C4' energy: -177.193 flat angles P-C4'-P energy: -130.376 tors. eta vs tors. theta energy: -225.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2458.502622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.502622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.502622 (E_RNA) where: Base-Base interactions energy: -1661.061 where: short stacking energy: -712.810 Base-Backbone interact. energy: -0.377 local terms energy: -797.064386 where: bonds (distance) C4'-P energy: -148.940 bonds (distance) P-C4' energy: -176.665 flat angles C4'-P-C4' energy: -166.868 flat angles P-C4'-P energy: -102.049 tors. eta vs tors. theta energy: -202.543 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: 281 Temperature: 1.100000 Total energy: -2335.702064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.702064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.702064 (E_RNA) where: Base-Base interactions energy: -1564.246 where: short stacking energy: -689.852 Base-Backbone interact. energy: 3.207 local terms energy: -774.662856 where: bonds (distance) C4'-P energy: -135.763 bonds (distance) P-C4' energy: -153.390 flat angles C4'-P-C4' energy: -164.030 flat angles P-C4'-P energy: -128.219 tors. eta vs tors. theta energy: -193.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2009.037730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.037730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.037730 (E_RNA) where: Base-Base interactions energy: -1315.419 where: short stacking energy: -592.123 Base-Backbone interact. energy: -4.924 local terms energy: -688.694028 where: bonds (distance) C4'-P energy: -144.529 bonds (distance) P-C4' energy: -134.252 flat angles C4'-P-C4' energy: -157.521 flat angles P-C4'-P energy: -110.071 tors. eta vs tors. theta energy: -142.321 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: 281 Temperature: 1.200000 Total energy: -1801.533049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.533049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.533049 (E_RNA) where: Base-Base interactions energy: -1149.391 where: short stacking energy: -533.164 Base-Backbone interact. energy: 3.232 local terms energy: -655.373856 where: bonds (distance) C4'-P energy: -135.820 bonds (distance) P-C4' energy: -134.213 flat angles C4'-P-C4' energy: -155.910 flat angles P-C4'-P energy: -95.581 tors. eta vs tors. theta energy: -133.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1468.905701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.905701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.905701 (E_RNA) where: Base-Base interactions energy: -910.300 where: short stacking energy: -441.061 Base-Backbone interact. energy: 0.065 local terms energy: -558.670402 where: bonds (distance) C4'-P energy: -128.108 bonds (distance) P-C4' energy: -142.396 flat angles C4'-P-C4' energy: -125.759 flat angles P-C4'-P energy: -86.833 tors. eta vs tors. theta energy: -75.574 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: 6 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -830.491718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.491718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.491718 (E_RNA) where: Base-Base interactions energy: -402.706 where: short stacking energy: -256.135 Base-Backbone interact. energy: 4.050 local terms energy: -431.835353 where: bonds (distance) C4'-P energy: -122.932 bonds (distance) P-C4' energy: -145.535 flat angles C4'-P-C4' energy: -128.123 flat angles P-C4'-P energy: -46.103 tors. eta vs tors. theta energy: 10.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -842.637748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.637748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.637748 (E_RNA) where: Base-Base interactions energy: -425.323 where: short stacking energy: -254.325 Base-Backbone interact. energy: 0.268 local terms energy: -417.582190 where: bonds (distance) C4'-P energy: -118.337 bonds (distance) P-C4' energy: -120.618 flat angles C4'-P-C4' energy: -116.883 flat angles P-C4'-P energy: -65.900 tors. eta vs tors. theta energy: 4.156 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: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2875.613478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.613478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.613478 (E_RNA) where: Base-Base interactions energy: -1998.564 where: short stacking energy: -790.149 Base-Backbone interact. energy: -3.268 local terms energy: -873.780744 where: bonds (distance) C4'-P energy: -151.245 bonds (distance) P-C4' energy: -169.604 flat angles C4'-P-C4' energy: -195.571 flat angles P-C4'-P energy: -119.418 tors. eta vs tors. theta energy: -237.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2766.066976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.066976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.066976 (E_RNA) where: Base-Base interactions energy: -1912.043 where: short stacking energy: -790.841 Base-Backbone interact. energy: -4.774 local terms energy: -849.249769 where: bonds (distance) C4'-P energy: -141.857 bonds (distance) P-C4' energy: -161.449 flat angles C4'-P-C4' energy: -186.007 flat angles P-C4'-P energy: -125.522 tors. eta vs tors. theta energy: -234.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2600.674986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.674986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.674986 (E_RNA) where: Base-Base interactions energy: -1801.202 where: short stacking energy: -768.938 Base-Backbone interact. energy: -3.248 local terms energy: -796.224854 where: bonds (distance) C4'-P energy: -149.424 bonds (distance) P-C4' energy: -153.110 flat angles C4'-P-C4' energy: -170.514 flat angles P-C4'-P energy: -112.701 tors. eta vs tors. theta energy: -210.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2467.812915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.812915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.812915 (E_RNA) where: Base-Base interactions energy: -1660.196 where: short stacking energy: -697.081 Base-Backbone interact. energy: -3.272 local terms energy: -804.345296 where: bonds (distance) C4'-P energy: -145.726 bonds (distance) P-C4' energy: -157.621 flat angles C4'-P-C4' energy: -171.329 flat angles P-C4'-P energy: -106.553 tors. eta vs tors. theta energy: -223.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2332.096968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.096968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.096968 (E_RNA) where: Base-Base interactions energy: -1577.689 where: short stacking energy: -670.476 Base-Backbone interact. energy: 0.280 local terms energy: -754.687598 where: bonds (distance) C4'-P energy: -146.292 bonds (distance) P-C4' energy: -138.522 flat angles C4'-P-C4' energy: -169.879 flat angles P-C4'-P energy: -117.272 tors. eta vs tors. theta energy: -182.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2070.384008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.384008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.384008 (E_RNA) where: Base-Base interactions energy: -1392.502 where: short stacking energy: -599.984 Base-Backbone interact. energy: -3.478 local terms energy: -674.404474 where: bonds (distance) C4'-P energy: -141.257 bonds (distance) P-C4' energy: -139.000 flat angles C4'-P-C4' energy: -155.977 flat angles P-C4'-P energy: -93.047 tors. eta vs tors. theta energy: -145.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1823.969011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.969011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.969011 (E_RNA) where: Base-Base interactions energy: -1177.725 where: short stacking energy: -502.425 Base-Backbone interact. energy: -2.336 local terms energy: -643.908123 where: bonds (distance) C4'-P energy: -146.442 bonds (distance) P-C4' energy: -149.624 flat angles C4'-P-C4' energy: -144.318 flat angles P-C4'-P energy: -83.425 tors. eta vs tors. theta energy: -120.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1488.518353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.518353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.518353 (E_RNA) where: Base-Base interactions energy: -905.739 where: short stacking energy: -444.695 Base-Backbone interact. energy: -3.974 local terms energy: -578.805536 where: bonds (distance) C4'-P energy: -144.880 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -134.164 flat angles P-C4'-P energy: -85.688 tors. eta vs tors. theta energy: -92.287 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: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1015.223023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.223023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.223023 (E_RNA) where: Base-Base interactions energy: -569.697 where: short stacking energy: -279.950 Base-Backbone interact. energy: 6.353 local terms energy: -451.879242 where: bonds (distance) C4'-P energy: -141.770 bonds (distance) P-C4' energy: -113.020 flat angles C4'-P-C4' energy: -110.300 flat angles P-C4'-P energy: -78.412 tors. eta vs tors. theta energy: -8.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -754.975490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.975490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.975490 (E_RNA) where: Base-Base interactions energy: -315.016 where: short stacking energy: -213.475 Base-Backbone interact. energy: -1.630 local terms energy: -438.329023 where: bonds (distance) C4'-P energy: -114.366 bonds (distance) P-C4' energy: -147.654 flat angles C4'-P-C4' energy: -117.063 flat angles P-C4'-P energy: -64.308 tors. eta vs tors. theta energy: 5.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2890.123383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.123383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.123383 (E_RNA) where: Base-Base interactions energy: -2006.998 where: short stacking energy: -811.670 Base-Backbone interact. energy: -4.764 local terms energy: -878.361816 where: bonds (distance) C4'-P energy: -162.500 bonds (distance) P-C4' energy: -158.909 flat angles C4'-P-C4' energy: -190.761 flat angles P-C4'-P energy: -127.321 tors. eta vs tors. theta energy: -238.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2796.646490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.646490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.646490 (E_RNA) where: Base-Base interactions energy: -1932.185 where: short stacking energy: -793.475 Base-Backbone interact. energy: -4.271 local terms energy: -860.190777 where: bonds (distance) C4'-P energy: -159.171 bonds (distance) P-C4' energy: -166.627 flat angles C4'-P-C4' energy: -180.273 flat angles P-C4'-P energy: -116.036 tors. eta vs tors. theta energy: -238.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2614.039393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.039393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.039393 (E_RNA) where: Base-Base interactions energy: -1771.831 where: short stacking energy: -758.149 Base-Backbone interact. energy: 0.217 local terms energy: -842.424468 where: bonds (distance) C4'-P energy: -153.669 bonds (distance) P-C4' energy: -162.281 flat angles C4'-P-C4' energy: -191.019 flat angles P-C4'-P energy: -101.141 tors. eta vs tors. theta energy: -234.314 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: 10 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2471.099820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.099820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.099820 (E_RNA) where: Base-Base interactions energy: -1680.745 where: short stacking energy: -710.146 Base-Backbone interact. energy: -2.224 local terms energy: -788.131116 where: bonds (distance) C4'-P energy: -156.879 bonds (distance) P-C4' energy: -151.912 flat angles C4'-P-C4' energy: -168.957 flat angles P-C4'-P energy: -101.937 tors. eta vs tors. theta energy: -208.446 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: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2321.082808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.082808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.082808 (E_RNA) where: Base-Base interactions energy: -1577.371 where: short stacking energy: -690.447 Base-Backbone interact. energy: -0.720 local terms energy: -742.992383 where: bonds (distance) C4'-P energy: -132.404 bonds (distance) P-C4' energy: -136.912 flat angles C4'-P-C4' energy: -163.555 flat angles P-C4'-P energy: -112.258 tors. eta vs tors. theta energy: -197.863 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: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2023.555448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.555448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.555448 (E_RNA) where: Base-Base interactions energy: -1328.489 where: short stacking energy: -596.166 Base-Backbone interact. energy: -2.449 local terms energy: -692.617668 where: bonds (distance) C4'-P energy: -137.158 bonds (distance) P-C4' energy: -147.278 flat angles C4'-P-C4' energy: -165.241 flat angles P-C4'-P energy: -81.333 tors. eta vs tors. theta energy: -161.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1800.103778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.103778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.103778 (E_RNA) where: Base-Base interactions energy: -1136.204 where: short stacking energy: -494.513 Base-Backbone interact. energy: -2.797 local terms energy: -661.102892 where: bonds (distance) C4'-P energy: -150.102 bonds (distance) P-C4' energy: -128.631 flat angles C4'-P-C4' energy: -149.270 flat angles P-C4'-P energy: -104.804 tors. eta vs tors. theta energy: -128.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1496.414698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.414698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.414698 (E_RNA) where: Base-Base interactions energy: -942.838 where: short stacking energy: -445.902 Base-Backbone interact. energy: -0.777 local terms energy: -552.800109 where: bonds (distance) C4'-P energy: -123.552 bonds (distance) P-C4' energy: -125.985 flat angles C4'-P-C4' energy: -134.135 flat angles P-C4'-P energy: -79.833 tors. eta vs tors. theta energy: -89.295 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: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1015.815025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.815025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.815025 (E_RNA) where: Base-Base interactions energy: -520.491 where: short stacking energy: -275.478 Base-Backbone interact. energy: 4.102 local terms energy: -499.426723 where: bonds (distance) C4'-P energy: -155.823 bonds (distance) P-C4' energy: -131.741 flat angles C4'-P-C4' energy: -128.400 flat angles P-C4'-P energy: -71.894 tors. eta vs tors. theta energy: -11.570 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: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -734.181161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.181161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.181161 (E_RNA) where: Base-Base interactions energy: -302.172 where: short stacking energy: -192.013 Base-Backbone interact. energy: -4.290 local terms energy: -427.718684 where: bonds (distance) C4'-P energy: -153.887 bonds (distance) P-C4' energy: -137.674 flat angles C4'-P-C4' energy: -91.949 flat angles P-C4'-P energy: -63.527 tors. eta vs tors. theta energy: 19.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2820.648264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.648264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.648264 (E_RNA) where: Base-Base interactions energy: -1946.298 where: short stacking energy: -821.350 Base-Backbone interact. energy: -3.095 local terms energy: -871.254736 where: bonds (distance) C4'-P energy: -162.782 bonds (distance) P-C4' energy: -169.267 flat angles C4'-P-C4' energy: -187.206 flat angles P-C4'-P energy: -117.539 tors. eta vs tors. theta energy: -234.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2815.256344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.256344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.256344 (E_RNA) where: Base-Base interactions energy: -1932.211 where: short stacking energy: -792.325 Base-Backbone interact. energy: -8.111 local terms energy: -874.934292 where: bonds (distance) C4'-P energy: -145.790 bonds (distance) P-C4' energy: -157.567 flat angles C4'-P-C4' energy: -192.445 flat angles P-C4'-P energy: -133.052 tors. eta vs tors. theta energy: -246.081 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: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2636.178283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.178283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.178283 (E_RNA) where: Base-Base interactions energy: -1788.539 where: short stacking energy: -776.348 Base-Backbone interact. energy: -3.065 local terms energy: -844.574048 where: bonds (distance) C4'-P energy: -153.630 bonds (distance) P-C4' energy: -174.321 flat angles C4'-P-C4' energy: -181.446 flat angles P-C4'-P energy: -107.733 tors. eta vs tors. theta energy: -227.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2402.024076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.024076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.024076 (E_RNA) where: Base-Base interactions energy: -1640.372 where: short stacking energy: -706.687 Base-Backbone interact. energy: 1.268 local terms energy: -762.920580 where: bonds (distance) C4'-P energy: -149.930 bonds (distance) P-C4' energy: -151.617 flat angles C4'-P-C4' energy: -160.029 flat angles P-C4'-P energy: -103.636 tors. eta vs tors. theta energy: -197.708 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: 5, replica: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2299.835794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.835794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.835794 (E_RNA) where: Base-Base interactions energy: -1554.482 where: short stacking energy: -651.065 Base-Backbone interact. energy: -3.236 local terms energy: -742.118484 where: bonds (distance) C4'-P energy: -135.793 bonds (distance) P-C4' energy: -159.311 flat angles C4'-P-C4' energy: -169.621 flat angles P-C4'-P energy: -92.004 tors. eta vs tors. theta energy: -185.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2043.405040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.405040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.405040 (E_RNA) where: Base-Base interactions energy: -1319.621 where: short stacking energy: -630.684 Base-Backbone interact. energy: -0.507 local terms energy: -723.277044 where: bonds (distance) C4'-P energy: -137.607 bonds (distance) P-C4' energy: -148.427 flat angles C4'-P-C4' energy: -160.854 flat angles P-C4'-P energy: -95.807 tors. eta vs tors. theta energy: -180.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1874.532480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.532480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.532480 (E_RNA) where: Base-Base interactions energy: -1224.132 where: short stacking energy: -562.721 Base-Backbone interact. energy: -2.122 local terms energy: -648.279226 where: bonds (distance) C4'-P energy: -145.069 bonds (distance) P-C4' energy: -131.751 flat angles C4'-P-C4' energy: -150.880 flat angles P-C4'-P energy: -78.490 tors. eta vs tors. theta energy: -142.089 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: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1512.973450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.973450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.973450 (E_RNA) where: Base-Base interactions energy: -944.652 where: short stacking energy: -449.645 Base-Backbone interact. energy: 0.885 local terms energy: -569.206497 where: bonds (distance) C4'-P energy: -131.515 bonds (distance) P-C4' energy: -127.376 flat angles C4'-P-C4' energy: -128.782 flat angles P-C4'-P energy: -98.736 tors. eta vs tors. theta energy: -82.798 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: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -996.578342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.578342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.578342 (E_RNA) where: Base-Base interactions energy: -514.263 where: short stacking energy: -268.787 Base-Backbone interact. energy: 5.612 local terms energy: -487.927969 where: bonds (distance) C4'-P energy: -123.654 bonds (distance) P-C4' energy: -145.845 flat angles C4'-P-C4' energy: -110.330 flat angles P-C4'-P energy: -71.627 tors. eta vs tors. theta energy: -36.472 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: 6 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -781.714279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.714279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.714279 (E_RNA) where: Base-Base interactions energy: -346.841 where: short stacking energy: -209.012 Base-Backbone interact. energy: 6.755 local terms energy: -441.628341 where: bonds (distance) C4'-P energy: -111.760 bonds (distance) P-C4' energy: -132.001 flat angles C4'-P-C4' energy: -108.970 flat angles P-C4'-P energy: -87.340 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2820.349981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.349981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.349981 (E_RNA) where: Base-Base interactions energy: -1974.419 where: short stacking energy: -824.160 Base-Backbone interact. energy: -2.821 local terms energy: -843.109770 where: bonds (distance) C4'-P energy: -155.760 bonds (distance) P-C4' energy: -163.681 flat angles C4'-P-C4' energy: -180.532 flat angles P-C4'-P energy: -112.760 tors. eta vs tors. theta energy: -230.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2827.526985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.526985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.526985 (E_RNA) where: Base-Base interactions energy: -1963.155 where: short stacking energy: -823.204 Base-Backbone interact. energy: -0.881 local terms energy: -863.490759 where: bonds (distance) C4'-P energy: -153.847 bonds (distance) P-C4' energy: -153.100 flat angles C4'-P-C4' energy: -186.437 flat angles P-C4'-P energy: -116.303 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: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2651.894968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.894968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.894968 (E_RNA) where: Base-Base interactions energy: -1810.973 where: short stacking energy: -772.197 Base-Backbone interact. energy: -1.476 local terms energy: -839.445323 where: bonds (distance) C4'-P energy: -132.279 bonds (distance) P-C4' energy: -158.461 flat angles C4'-P-C4' energy: -184.279 flat angles P-C4'-P energy: -127.709 tors. eta vs tors. theta energy: -236.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2441.955431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.955431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.955431 (E_RNA) where: Base-Base interactions energy: -1639.521 where: short stacking energy: -703.915 Base-Backbone interact. energy: -4.823 local terms energy: -797.611879 where: bonds (distance) C4'-P energy: -150.472 bonds (distance) P-C4' energy: -154.218 flat angles C4'-P-C4' energy: -172.791 flat angles P-C4'-P energy: -114.682 tors. eta vs tors. theta energy: -205.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2263.844299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.844299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.844299 (E_RNA) where: Base-Base interactions energy: -1548.674 where: short stacking energy: -650.722 Base-Backbone interact. energy: -2.726 local terms energy: -712.443790 where: bonds (distance) C4'-P energy: -134.907 bonds (distance) P-C4' energy: -149.685 flat angles C4'-P-C4' energy: -159.007 flat angles P-C4'-P energy: -98.704 tors. eta vs tors. theta energy: -170.140 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: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2022.729957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.729957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.729957 (E_RNA) where: Base-Base interactions energy: -1312.588 where: short stacking energy: -609.896 Base-Backbone interact. energy: -2.266 local terms energy: -707.875698 where: bonds (distance) C4'-P energy: -151.481 bonds (distance) P-C4' energy: -149.282 flat angles C4'-P-C4' energy: -144.830 flat angles P-C4'-P energy: -110.418 tors. eta vs tors. theta energy: -151.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1811.441182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.441182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.441182 (E_RNA) where: Base-Base interactions energy: -1158.369 where: short stacking energy: -498.392 Base-Backbone interact. energy: -3.158 local terms energy: -649.914085 where: bonds (distance) C4'-P energy: -131.167 bonds (distance) P-C4' energy: -156.603 flat angles C4'-P-C4' energy: -150.904 flat angles P-C4'-P energy: -90.604 tors. eta vs tors. theta energy: -120.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1444.564516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.564516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.564516 (E_RNA) where: Base-Base interactions energy: -864.601 where: short stacking energy: -421.004 Base-Backbone interact. energy: -2.492 local terms energy: -577.471017 where: bonds (distance) C4'-P energy: -126.767 bonds (distance) P-C4' energy: -139.248 flat angles C4'-P-C4' energy: -146.815 flat angles P-C4'-P energy: -91.885 tors. eta vs tors. theta energy: -72.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -962.766678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.766678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.766678 (E_RNA) where: Base-Base interactions energy: -481.938 where: short stacking energy: -272.687 Base-Backbone interact. energy: -0.727 local terms energy: -480.101587 where: bonds (distance) C4'-P energy: -128.313 bonds (distance) P-C4' energy: -140.354 flat angles C4'-P-C4' energy: -136.969 flat angles P-C4'-P energy: -72.565 tors. eta vs tors. theta energy: -1.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -746.346629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.346629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.346629 (E_RNA) where: Base-Base interactions energy: -327.245 where: short stacking energy: -217.201 Base-Backbone interact. energy: -0.496 local terms energy: -418.606327 where: bonds (distance) C4'-P energy: -122.414 bonds (distance) P-C4' energy: -155.537 flat angles C4'-P-C4' energy: -103.779 flat angles P-C4'-P energy: -59.012 tors. eta vs tors. theta energy: 22.136 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: 7 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2832.729343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.729343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.729343 (E_RNA) where: Base-Base interactions energy: -1968.692 where: short stacking energy: -793.928 Base-Backbone interact. energy: -6.484 local terms energy: -857.553267 where: bonds (distance) C4'-P energy: -151.873 bonds (distance) P-C4' energy: -168.168 flat angles C4'-P-C4' energy: -186.614 flat angles P-C4'-P energy: -120.321 tors. eta vs tors. theta energy: -230.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2794.508456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.508456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.508456 (E_RNA) where: Base-Base interactions energy: -1946.308 where: short stacking energy: -827.527 Base-Backbone interact. energy: -2.709 local terms energy: -845.491505 where: bonds (distance) C4'-P energy: -139.420 bonds (distance) P-C4' energy: -160.490 flat angles C4'-P-C4' energy: -188.267 flat angles P-C4'-P energy: -117.258 tors. eta vs tors. theta energy: -240.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2698.072816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.072816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.072816 (E_RNA) where: Base-Base interactions energy: -1864.900 where: short stacking energy: -793.550 Base-Backbone interact. energy: -2.850 local terms energy: -830.322911 where: bonds (distance) C4'-P energy: -152.135 bonds (distance) P-C4' energy: -161.683 flat angles C4'-P-C4' energy: -161.235 flat angles P-C4'-P energy: -113.893 tors. eta vs tors. theta energy: -241.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2459.166285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.166285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.166285 (E_RNA) where: Base-Base interactions energy: -1669.556 where: short stacking energy: -701.592 Base-Backbone interact. energy: -1.309 local terms energy: -788.301652 where: bonds (distance) C4'-P energy: -142.963 bonds (distance) P-C4' energy: -143.280 flat angles C4'-P-C4' energy: -153.947 flat angles P-C4'-P energy: -140.862 tors. eta vs tors. theta energy: -207.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2270.319541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.319541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.319541 (E_RNA) where: Base-Base interactions energy: -1524.340 where: short stacking energy: -668.300 Base-Backbone interact. energy: -2.284 local terms energy: -743.696045 where: bonds (distance) C4'-P energy: -134.132 bonds (distance) P-C4' energy: -145.738 flat angles C4'-P-C4' energy: -162.531 flat angles P-C4'-P energy: -108.863 tors. eta vs tors. theta energy: -192.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2020.061982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.061982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.061982 (E_RNA) where: Base-Base interactions energy: -1304.721 where: short stacking energy: -587.044 Base-Backbone interact. energy: -1.993 local terms energy: -713.348230 where: bonds (distance) C4'-P energy: -146.590 bonds (distance) P-C4' energy: -149.460 flat angles C4'-P-C4' energy: -160.384 flat angles P-C4'-P energy: -104.929 tors. eta vs tors. theta energy: -151.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1794.577766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.577766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.577766 (E_RNA) where: Base-Base interactions energy: -1156.524 where: short stacking energy: -492.213 Base-Backbone interact. energy: 2.282 local terms energy: -640.336694 where: bonds (distance) C4'-P energy: -133.376 bonds (distance) P-C4' energy: -150.014 flat angles C4'-P-C4' energy: -137.184 flat angles P-C4'-P energy: -105.508 tors. eta vs tors. theta energy: -114.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1466.886142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.886142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.886142 (E_RNA) where: Base-Base interactions energy: -894.415 where: short stacking energy: -426.799 Base-Backbone interact. energy: 0.549 local terms energy: -573.020105 where: bonds (distance) C4'-P energy: -132.310 bonds (distance) P-C4' energy: -143.548 flat angles C4'-P-C4' energy: -119.988 flat angles P-C4'-P energy: -86.238 tors. eta vs tors. theta energy: -90.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -891.245302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.245302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.245302 (E_RNA) where: Base-Base interactions energy: -427.381 where: short stacking energy: -241.675 Base-Backbone interact. energy: 7.257 local terms energy: -471.121483 where: bonds (distance) C4'-P energy: -136.659 bonds (distance) P-C4' energy: -140.399 flat angles C4'-P-C4' energy: -108.289 flat angles P-C4'-P energy: -75.217 tors. eta vs tors. theta energy: -10.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -768.016872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.016872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.016872 (E_RNA) where: Base-Base interactions energy: -346.090 where: short stacking energy: -225.474 Base-Backbone interact. energy: -4.132 local terms energy: -417.794464 where: bonds (distance) C4'-P energy: -119.342 bonds (distance) P-C4' energy: -133.650 flat angles C4'-P-C4' energy: -129.032 flat angles P-C4'-P energy: -64.197 tors. eta vs tors. theta energy: 28.427 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: 7 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2828.958117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.958117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.958117 (E_RNA) where: Base-Base interactions energy: -1933.274 where: short stacking energy: -801.510 Base-Backbone interact. energy: -3.002 local terms energy: -892.682255 where: bonds (distance) C4'-P energy: -174.831 bonds (distance) P-C4' energy: -163.611 flat angles C4'-P-C4' energy: -189.023 flat angles P-C4'-P energy: -118.751 tors. eta vs tors. theta energy: -246.466 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: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2814.870214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.870214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.870214 (E_RNA) where: Base-Base interactions energy: -1945.840 where: short stacking energy: -815.171 Base-Backbone interact. energy: -1.267 local terms energy: -867.763125 where: bonds (distance) C4'-P energy: -161.480 bonds (distance) P-C4' energy: -153.817 flat angles C4'-P-C4' energy: -179.479 flat angles P-C4'-P energy: -125.848 tors. eta vs tors. theta energy: -247.139 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: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2665.344827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.344827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.344827 (E_RNA) where: Base-Base interactions energy: -1813.901 where: short stacking energy: -773.187 Base-Backbone interact. energy: -5.460 local terms energy: -845.984607 where: bonds (distance) C4'-P energy: -141.528 bonds (distance) P-C4' energy: -160.853 flat angles C4'-P-C4' energy: -194.077 flat angles P-C4'-P energy: -130.653 tors. eta vs tors. theta energy: -218.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2479.241947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.241947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.241947 (E_RNA) where: Base-Base interactions energy: -1666.082 where: short stacking energy: -707.067 Base-Backbone interact. energy: -3.548 local terms energy: -809.612010 where: bonds (distance) C4'-P energy: -151.776 bonds (distance) P-C4' energy: -160.630 flat angles C4'-P-C4' energy: -189.968 flat angles P-C4'-P energy: -104.251 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: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2388.469886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.469886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.469886 (E_RNA) where: Base-Base interactions energy: -1632.110 where: short stacking energy: -671.467 Base-Backbone interact. energy: -2.720 local terms energy: -753.640011 where: bonds (distance) C4'-P energy: -128.560 bonds (distance) P-C4' energy: -148.317 flat angles C4'-P-C4' energy: -170.459 flat angles P-C4'-P energy: -99.439 tors. eta vs tors. theta energy: -206.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1953.228821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.228821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.228821 (E_RNA) where: Base-Base interactions energy: -1239.258 where: short stacking energy: -561.485 Base-Backbone interact. energy: -1.855 local terms energy: -712.115270 where: bonds (distance) C4'-P energy: -143.939 bonds (distance) P-C4' energy: -144.663 flat angles C4'-P-C4' energy: -178.519 flat angles P-C4'-P energy: -107.588 tors. eta vs tors. theta energy: -137.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1771.127919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.127919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.127919 (E_RNA) where: Base-Base interactions energy: -1169.935 where: short stacking energy: -491.402 Base-Backbone interact. energy: 0.681 local terms energy: -601.874026 where: bonds (distance) C4'-P energy: -123.961 bonds (distance) P-C4' energy: -135.298 flat angles C4'-P-C4' energy: -166.046 flat angles P-C4'-P energy: -72.143 tors. eta vs tors. theta energy: -104.427 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: 4 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1611.619868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.619868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.619868 (E_RNA) where: Base-Base interactions energy: -1037.569 where: short stacking energy: -454.439 Base-Backbone interact. energy: -1.528 local terms energy: -572.523023 where: bonds (distance) C4'-P energy: -113.592 bonds (distance) P-C4' energy: -137.611 flat angles C4'-P-C4' energy: -141.641 flat angles P-C4'-P energy: -94.159 tors. eta vs tors. theta energy: -85.520 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: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -972.688139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.688139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.688139 (E_RNA) where: Base-Base interactions energy: -499.441 where: short stacking energy: -266.023 Base-Backbone interact. energy: 0.196 local terms energy: -473.443141 where: bonds (distance) C4'-P energy: -127.909 bonds (distance) P-C4' energy: -141.031 flat angles C4'-P-C4' energy: -133.417 flat angles P-C4'-P energy: -61.019 tors. eta vs tors. theta energy: -10.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -768.802049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.802049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.802049 (E_RNA) where: Base-Base interactions energy: -317.348 where: short stacking energy: -187.868 Base-Backbone interact. energy: -1.748 local terms energy: -449.705749 where: bonds (distance) C4'-P energy: -132.836 bonds (distance) P-C4' energy: -148.126 flat angles C4'-P-C4' energy: -134.749 flat angles P-C4'-P energy: -58.951 tors. eta vs tors. theta energy: 24.955 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: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2862.060705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.060705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.060705 (E_RNA) where: Base-Base interactions energy: -1941.975 where: short stacking energy: -839.615 Base-Backbone interact. energy: -3.290 local terms energy: -916.795227 where: bonds (distance) C4'-P energy: -164.486 bonds (distance) P-C4' energy: -172.758 flat angles C4'-P-C4' energy: -200.613 flat angles P-C4'-P energy: -127.425 tors. eta vs tors. theta energy: -251.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2765.917400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.917400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.917400 (E_RNA) where: Base-Base interactions energy: -1913.129 where: short stacking energy: -801.376 Base-Backbone interact. energy: -7.020 local terms energy: -845.768164 where: bonds (distance) C4'-P energy: -160.114 bonds (distance) P-C4' energy: -145.476 flat angles C4'-P-C4' energy: -189.304 flat angles P-C4'-P energy: -110.556 tors. eta vs tors. theta energy: -240.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2627.465894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.465894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.465894 (E_RNA) where: Base-Base interactions energy: -1796.949 where: short stacking energy: -761.187 Base-Backbone interact. energy: -0.854 local terms energy: -829.663313 where: bonds (distance) C4'-P energy: -144.793 bonds (distance) P-C4' energy: -157.934 flat angles C4'-P-C4' energy: -188.343 flat angles P-C4'-P energy: -112.357 tors. eta vs tors. theta energy: -226.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2471.673798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.673798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.673798 (E_RNA) where: Base-Base interactions energy: -1670.072 where: short stacking energy: -717.836 Base-Backbone interact. energy: -5.904 local terms energy: -795.697506 where: bonds (distance) C4'-P energy: -156.615 bonds (distance) P-C4' energy: -142.019 flat angles C4'-P-C4' energy: -186.493 flat angles P-C4'-P energy: -111.989 tors. eta vs tors. theta energy: -198.582 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: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2431.781205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.781205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.781205 (E_RNA) where: Base-Base interactions energy: -1662.016 where: short stacking energy: -676.899 Base-Backbone interact. energy: -0.934 local terms energy: -768.831045 where: bonds (distance) C4'-P energy: -141.060 bonds (distance) P-C4' energy: -157.140 flat angles C4'-P-C4' energy: -147.458 flat angles P-C4'-P energy: -109.323 tors. eta vs tors. theta energy: -213.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1989.841548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.841548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.841548 (E_RNA) where: Base-Base interactions energy: -1294.758 where: short stacking energy: -566.681 Base-Backbone interact. energy: -2.744 local terms energy: -692.339539 where: bonds (distance) C4'-P energy: -150.555 bonds (distance) P-C4' energy: -138.803 flat angles C4'-P-C4' energy: -145.487 flat angles P-C4'-P energy: -103.750 tors. eta vs tors. theta energy: -153.745 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: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1816.055904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.055904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.055904 (E_RNA) where: Base-Base interactions energy: -1165.505 where: short stacking energy: -516.216 Base-Backbone interact. energy: -2.095 local terms energy: -648.455686 where: bonds (distance) C4'-P energy: -142.489 bonds (distance) P-C4' energy: -153.711 flat angles C4'-P-C4' energy: -149.043 flat angles P-C4'-P energy: -83.918 tors. eta vs tors. theta energy: -119.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1547.138363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.138363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.138363 (E_RNA) where: Base-Base interactions energy: -965.455 where: short stacking energy: -410.535 Base-Backbone interact. energy: -2.508 local terms energy: -579.174903 where: bonds (distance) C4'-P energy: -130.435 bonds (distance) P-C4' energy: -141.483 flat angles C4'-P-C4' energy: -142.640 flat angles P-C4'-P energy: -88.857 tors. eta vs tors. theta energy: -75.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -984.848509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.848509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.848509 (E_RNA) where: Base-Base interactions energy: -539.422 where: short stacking energy: -312.345 Base-Backbone interact. energy: -2.104 local terms energy: -443.321869 where: bonds (distance) C4'-P energy: -113.333 bonds (distance) P-C4' energy: -125.849 flat angles C4'-P-C4' energy: -123.625 flat angles P-C4'-P energy: -74.133 tors. eta vs tors. theta energy: -6.383 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: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -747.518379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.518379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.518379 (E_RNA) where: Base-Base interactions energy: -324.890 where: short stacking energy: -197.599 Base-Backbone interact. energy: 3.928 local terms energy: -426.555696 where: bonds (distance) C4'-P energy: -121.033 bonds (distance) P-C4' energy: -133.447 flat angles C4'-P-C4' energy: -110.130 flat angles P-C4'-P energy: -72.580 tors. eta vs tors. theta energy: 10.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2875.506672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.506672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.506672 (E_RNA) where: Base-Base interactions energy: -1977.373 where: short stacking energy: -827.330 Base-Backbone interact. energy: -1.936 local terms energy: -896.198311 where: bonds (distance) C4'-P energy: -167.919 bonds (distance) P-C4' energy: -157.969 flat angles C4'-P-C4' energy: -195.914 flat angles P-C4'-P energy: -131.845 tors. eta vs tors. theta energy: -242.552 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: 2, replica: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2724.569810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.569810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.569810 (E_RNA) where: Base-Base interactions energy: -1885.667 where: short stacking energy: -814.137 Base-Backbone interact. energy: -3.901 local terms energy: -835.002362 where: bonds (distance) C4'-P energy: -154.883 bonds (distance) P-C4' energy: -163.959 flat angles C4'-P-C4' energy: -181.686 flat angles P-C4'-P energy: -111.117 tors. eta vs tors. theta energy: -223.358 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: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2629.474809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.474809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.474809 (E_RNA) where: Base-Base interactions energy: -1790.857 where: short stacking energy: -734.987 Base-Backbone interact. energy: -7.322 local terms energy: -831.295395 where: bonds (distance) C4'-P energy: -162.664 bonds (distance) P-C4' energy: -146.881 flat angles C4'-P-C4' energy: -184.901 flat angles P-C4'-P energy: -127.132 tors. eta vs tors. theta energy: -209.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2438.980131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.980131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.980131 (E_RNA) where: Base-Base interactions energy: -1654.118 where: short stacking energy: -726.284 Base-Backbone interact. energy: -3.828 local terms energy: -781.034631 where: bonds (distance) C4'-P energy: -132.538 bonds (distance) P-C4' energy: -163.397 flat angles C4'-P-C4' energy: -178.956 flat angles P-C4'-P energy: -112.451 tors. eta vs tors. theta energy: -193.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2412.605060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.605060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.605060 (E_RNA) where: Base-Base interactions energy: -1637.715 where: short stacking energy: -696.148 Base-Backbone interact. energy: -4.407 local terms energy: -770.482656 where: bonds (distance) C4'-P energy: -152.813 bonds (distance) P-C4' energy: -148.364 flat angles C4'-P-C4' energy: -166.007 flat angles P-C4'-P energy: -114.900 tors. eta vs tors. theta energy: -188.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1946.518462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.518462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.518462 (E_RNA) where: Base-Base interactions energy: -1304.076 where: short stacking energy: -611.260 Base-Backbone interact. energy: 0.889 local terms energy: -643.330663 where: bonds (distance) C4'-P energy: -103.441 bonds (distance) P-C4' energy: -154.902 flat angles C4'-P-C4' energy: -144.517 flat angles P-C4'-P energy: -86.263 tors. eta vs tors. theta energy: -154.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1717.972693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.972693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.972693 (E_RNA) where: Base-Base interactions energy: -1114.356 where: short stacking energy: -489.466 Base-Backbone interact. energy: 1.043 local terms energy: -604.659842 where: bonds (distance) C4'-P energy: -136.469 bonds (distance) P-C4' energy: -146.480 flat angles C4'-P-C4' energy: -128.258 flat angles P-C4'-P energy: -91.195 tors. eta vs tors. theta energy: -102.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1441.973131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.973131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.973131 (E_RNA) where: Base-Base interactions energy: -926.788 where: short stacking energy: -399.058 Base-Backbone interact. energy: 1.560 local terms energy: -516.744536 where: bonds (distance) C4'-P energy: -116.915 bonds (distance) P-C4' energy: -134.349 flat angles C4'-P-C4' energy: -123.976 flat angles P-C4'-P energy: -76.079 tors. eta vs tors. theta energy: -65.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -981.222470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.222470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.222470 (E_RNA) where: Base-Base interactions energy: -468.762 where: short stacking energy: -255.497 Base-Backbone interact. energy: -2.290 local terms energy: -510.170231 where: bonds (distance) C4'-P energy: -141.369 bonds (distance) P-C4' energy: -144.371 flat angles C4'-P-C4' energy: -115.595 flat angles P-C4'-P energy: -87.962 tors. eta vs tors. theta energy: -20.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -737.558339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.558339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.558339 (E_RNA) where: Base-Base interactions energy: -278.461 where: short stacking energy: -181.379 Base-Backbone interact. energy: 3.822 local terms energy: -462.919900 where: bonds (distance) C4'-P energy: -126.229 bonds (distance) P-C4' energy: -166.921 flat angles C4'-P-C4' energy: -127.452 flat angles P-C4'-P energy: -66.292 tors. eta vs tors. theta energy: 23.975 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: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2873.552580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.552580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.552580 (E_RNA) where: Base-Base interactions energy: -1994.112 where: short stacking energy: -827.141 Base-Backbone interact. energy: -1.501 local terms energy: -877.939199 where: bonds (distance) C4'-P energy: -154.777 bonds (distance) P-C4' energy: -161.186 flat angles C4'-P-C4' energy: -185.819 flat angles P-C4'-P energy: -137.662 tors. eta vs tors. theta energy: -238.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2727.290423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.290423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.290423 (E_RNA) where: Base-Base interactions energy: -1890.456 where: short stacking energy: -806.909 Base-Backbone interact. energy: -5.323 local terms energy: -831.511062 where: bonds (distance) C4'-P energy: -134.198 bonds (distance) P-C4' energy: -153.619 flat angles C4'-P-C4' energy: -182.832 flat angles P-C4'-P energy: -130.446 tors. eta vs tors. theta energy: -230.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2655.586206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.586206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.586206 (E_RNA) where: Base-Base interactions energy: -1819.885 where: short stacking energy: -779.818 Base-Backbone interact. energy: 1.260 local terms energy: -836.961006 where: bonds (distance) C4'-P energy: -150.097 bonds (distance) P-C4' energy: -170.513 flat angles C4'-P-C4' energy: -184.829 flat angles P-C4'-P energy: -110.358 tors. eta vs tors. theta energy: -221.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2399.229734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.229734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.229734 (E_RNA) where: Base-Base interactions energy: -1614.262 where: short stacking energy: -704.860 Base-Backbone interact. energy: -0.501 local terms energy: -784.466020 where: bonds (distance) C4'-P energy: -142.829 bonds (distance) P-C4' energy: -165.604 flat angles C4'-P-C4' energy: -175.475 flat angles P-C4'-P energy: -94.925 tors. eta vs tors. theta energy: -205.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2412.335883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.335883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.335883 (E_RNA) where: Base-Base interactions energy: -1647.909 where: short stacking energy: -684.385 Base-Backbone interact. energy: 0.184 local terms energy: -764.610649 where: bonds (distance) C4'-P energy: -140.854 bonds (distance) P-C4' energy: -138.000 flat angles C4'-P-C4' energy: -164.470 flat angles P-C4'-P energy: -123.298 tors. eta vs tors. theta energy: -197.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1989.223442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.223442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.223442 (E_RNA) where: Base-Base interactions energy: -1343.039 where: short stacking energy: -603.951 Base-Backbone interact. energy: -1.495 local terms energy: -644.689351 where: bonds (distance) C4'-P energy: -148.746 bonds (distance) P-C4' energy: -138.983 flat angles C4'-P-C4' energy: -153.591 flat angles P-C4'-P energy: -76.958 tors. eta vs tors. theta energy: -126.411 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: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1711.155703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.155703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.155703 (E_RNA) where: Base-Base interactions energy: -1113.414 where: short stacking energy: -475.235 Base-Backbone interact. energy: 2.474 local terms energy: -600.215501 where: bonds (distance) C4'-P energy: -135.549 bonds (distance) P-C4' energy: -126.723 flat angles C4'-P-C4' energy: -143.723 flat angles P-C4'-P energy: -91.652 tors. eta vs tors. theta energy: -102.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1404.483743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.483743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.483743 (E_RNA) where: Base-Base interactions energy: -890.087 where: short stacking energy: -418.529 Base-Backbone interact. energy: 2.082 local terms energy: -516.478505 where: bonds (distance) C4'-P energy: -147.335 bonds (distance) P-C4' energy: -129.431 flat angles C4'-P-C4' energy: -111.638 flat angles P-C4'-P energy: -81.181 tors. eta vs tors. theta energy: -46.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -948.795876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.795876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.795876 (E_RNA) where: Base-Base interactions energy: -462.944 where: short stacking energy: -269.527 Base-Backbone interact. energy: 2.341 local terms energy: -488.192984 where: bonds (distance) C4'-P energy: -140.499 bonds (distance) P-C4' energy: -150.186 flat angles C4'-P-C4' energy: -109.342 flat angles P-C4'-P energy: -67.840 tors. eta vs tors. theta energy: -20.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -740.037682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.037682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.037682 (E_RNA) where: Base-Base interactions energy: -292.460 where: short stacking energy: -197.206 Base-Backbone interact. energy: 1.251 local terms energy: -448.828544 where: bonds (distance) C4'-P energy: -127.974 bonds (distance) P-C4' energy: -132.720 flat angles C4'-P-C4' energy: -124.100 flat angles P-C4'-P energy: -82.798 tors. eta vs tors. theta energy: 18.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2895.246043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.246043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.246043 (E_RNA) where: Base-Base interactions energy: -2007.500 where: short stacking energy: -834.148 Base-Backbone interact. energy: -2.494 local terms energy: -885.251393 where: bonds (distance) C4'-P energy: -161.099 bonds (distance) P-C4' energy: -157.750 flat angles C4'-P-C4' energy: -192.894 flat angles P-C4'-P energy: -123.058 tors. eta vs tors. theta energy: -250.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2763.415667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.415667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.415667 (E_RNA) where: Base-Base interactions energy: -1892.730 where: short stacking energy: -780.350 Base-Backbone interact. energy: 4.306 local terms energy: -874.991046 where: bonds (distance) C4'-P energy: -166.171 bonds (distance) P-C4' energy: -163.368 flat angles C4'-P-C4' energy: -185.903 flat angles P-C4'-P energy: -117.043 tors. eta vs tors. theta energy: -242.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2616.722002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.722002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.722002 (E_RNA) where: Base-Base interactions energy: -1747.846 where: short stacking energy: -747.794 Base-Backbone interact. energy: -5.772 local terms energy: -863.104017 where: bonds (distance) C4'-P energy: -146.113 bonds (distance) P-C4' energy: -178.933 flat angles C4'-P-C4' energy: -189.441 flat angles P-C4'-P energy: -120.440 tors. eta vs tors. theta energy: -228.177 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: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2423.621445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.621445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.621445 (E_RNA) where: Base-Base interactions energy: -1609.356 where: short stacking energy: -702.969 Base-Backbone interact. energy: -2.479 local terms energy: -811.786608 where: bonds (distance) C4'-P energy: -161.705 bonds (distance) P-C4' energy: -159.255 flat angles C4'-P-C4' energy: -175.561 flat angles P-C4'-P energy: -113.649 tors. eta vs tors. theta energy: -201.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2416.489017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.489017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.489017 (E_RNA) where: Base-Base interactions energy: -1663.718 where: short stacking energy: -709.561 Base-Backbone interact. energy: -3.955 local terms energy: -748.815933 where: bonds (distance) C4'-P energy: -134.012 bonds (distance) P-C4' energy: -155.236 flat angles C4'-P-C4' energy: -162.105 flat angles P-C4'-P energy: -99.210 tors. eta vs tors. theta energy: -198.252 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: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1965.844154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.844154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.844154 (E_RNA) where: Base-Base interactions energy: -1294.044 where: short stacking energy: -603.318 Base-Backbone interact. energy: -0.171 local terms energy: -671.628825 where: bonds (distance) C4'-P energy: -131.460 bonds (distance) P-C4' energy: -144.733 flat angles C4'-P-C4' energy: -157.844 flat angles P-C4'-P energy: -83.294 tors. eta vs tors. theta energy: -154.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1820.347648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.347648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.347648 (E_RNA) where: Base-Base interactions energy: -1172.759 where: short stacking energy: -526.867 Base-Backbone interact. energy: -4.652 local terms energy: -642.936640 where: bonds (distance) C4'-P energy: -143.252 bonds (distance) P-C4' energy: -121.948 flat angles C4'-P-C4' energy: -153.562 flat angles P-C4'-P energy: -87.435 tors. eta vs tors. theta energy: -136.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1348.931818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.931818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.931818 (E_RNA) where: Base-Base interactions energy: -842.614 where: short stacking energy: -356.964 Base-Backbone interact. energy: 8.453 local terms energy: -514.770712 where: bonds (distance) C4'-P energy: -123.553 bonds (distance) P-C4' energy: -148.237 flat angles C4'-P-C4' energy: -137.470 flat angles P-C4'-P energy: -77.031 tors. eta vs tors. theta energy: -28.479 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: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -898.684581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.684581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.684581 (E_RNA) where: Base-Base interactions energy: -459.833 where: short stacking energy: -262.872 Base-Backbone interact. energy: 0.371 local terms energy: -439.222702 where: bonds (distance) C4'-P energy: -130.010 bonds (distance) P-C4' energy: -123.857 flat angles C4'-P-C4' energy: -124.481 flat angles P-C4'-P energy: -62.421 tors. eta vs tors. theta energy: 1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -693.019490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.019490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.019490 (E_RNA) where: Base-Base interactions energy: -300.228 where: short stacking energy: -180.072 Base-Backbone interact. energy: 0.916 local terms energy: -393.708177 where: bonds (distance) C4'-P energy: -125.745 bonds (distance) P-C4' energy: -128.151 flat angles C4'-P-C4' energy: -109.650 flat angles P-C4'-P energy: -45.926 tors. eta vs tors. theta energy: 15.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2893.641833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.641833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.641833 (E_RNA) where: Base-Base interactions energy: -1978.791 where: short stacking energy: -824.674 Base-Backbone interact. energy: -5.829 local terms energy: -909.022380 where: bonds (distance) C4'-P energy: -162.171 bonds (distance) P-C4' energy: -179.256 flat angles C4'-P-C4' energy: -189.731 flat angles P-C4'-P energy: -132.034 tors. eta vs tors. theta energy: -245.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2766.096840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.096840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.096840 (E_RNA) where: Base-Base interactions energy: -1905.489 where: short stacking energy: -781.318 Base-Backbone interact. energy: -4.396 local terms energy: -856.212034 where: bonds (distance) C4'-P energy: -160.704 bonds (distance) P-C4' energy: -162.370 flat angles C4'-P-C4' energy: -181.425 flat angles P-C4'-P energy: -117.839 tors. eta vs tors. theta energy: -233.875 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: 3, replica: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2640.054635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.054635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.054635 (E_RNA) where: Base-Base interactions energy: -1813.952 where: short stacking energy: -753.108 Base-Backbone interact. energy: 3.020 local terms energy: -829.122747 where: bonds (distance) C4'-P energy: -146.462 bonds (distance) P-C4' energy: -183.709 flat angles C4'-P-C4' energy: -180.562 flat angles P-C4'-P energy: -97.968 tors. eta vs tors. theta energy: -220.422 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: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2408.542603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.542603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.542603 (E_RNA) where: Base-Base interactions energy: -1608.987 where: short stacking energy: -721.264 Base-Backbone interact. energy: 1.601 local terms energy: -801.156439 where: bonds (distance) C4'-P energy: -149.675 bonds (distance) P-C4' energy: -157.770 flat angles C4'-P-C4' energy: -171.876 flat angles P-C4'-P energy: -113.679 tors. eta vs tors. theta energy: -208.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2391.509718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.509718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.509718 (E_RNA) where: Base-Base interactions energy: -1631.203 where: short stacking energy: -682.743 Base-Backbone interact. energy: -2.485 local terms energy: -757.820814 where: bonds (distance) C4'-P energy: -150.994 bonds (distance) P-C4' energy: -149.441 flat angles C4'-P-C4' energy: -155.352 flat angles P-C4'-P energy: -108.819 tors. eta vs tors. theta energy: -193.215 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: 6, replica: 5 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1969.276719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.276719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.276719 (E_RNA) where: Base-Base interactions energy: -1291.048 where: short stacking energy: -584.275 Base-Backbone interact. energy: 6.026 local terms energy: -684.254701 where: bonds (distance) C4'-P energy: -148.139 bonds (distance) P-C4' energy: -132.161 flat angles C4'-P-C4' energy: -163.844 flat angles P-C4'-P energy: -100.651 tors. eta vs tors. theta energy: -139.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1778.726520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.726520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.726520 (E_RNA) where: Base-Base interactions energy: -1153.447 where: short stacking energy: -490.613 Base-Backbone interact. energy: 2.064 local terms energy: -627.343419 where: bonds (distance) C4'-P energy: -135.696 bonds (distance) P-C4' energy: -157.925 flat angles C4'-P-C4' energy: -141.946 flat angles P-C4'-P energy: -89.085 tors. eta vs tors. theta energy: -102.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1326.909471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.909471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.909471 (E_RNA) where: Base-Base interactions energy: -792.105 where: short stacking energy: -382.664 Base-Backbone interact. energy: 6.662 local terms energy: -541.466772 where: bonds (distance) C4'-P energy: -132.554 bonds (distance) P-C4' energy: -139.427 flat angles C4'-P-C4' energy: -142.674 flat angles P-C4'-P energy: -81.192 tors. eta vs tors. theta energy: -45.620 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: 9, replica: 6 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -795.684669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.684669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.684669 (E_RNA) where: Base-Base interactions energy: -330.534 where: short stacking energy: -226.461 Base-Backbone interact. energy: -0.644 local terms energy: -464.506261 where: bonds (distance) C4'-P energy: -127.847 bonds (distance) P-C4' energy: -125.356 flat angles C4'-P-C4' energy: -129.161 flat angles P-C4'-P energy: -79.699 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -804.528610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.528610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.528610 (E_RNA) where: Base-Base interactions energy: -394.295 where: short stacking energy: -227.772 Base-Backbone interact. energy: -2.139 local terms energy: -408.094107 where: bonds (distance) C4'-P energy: -101.784 bonds (distance) P-C4' energy: -131.640 flat angles C4'-P-C4' energy: -117.080 flat angles P-C4'-P energy: -74.987 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: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2924.273714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.273714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.273714 (E_RNA) where: Base-Base interactions energy: -2012.239 where: short stacking energy: -847.522 Base-Backbone interact. energy: -5.838 local terms energy: -906.196718 where: bonds (distance) C4'-P energy: -148.740 bonds (distance) P-C4' energy: -179.257 flat angles C4'-P-C4' energy: -195.863 flat angles P-C4'-P energy: -136.560 tors. eta vs tors. theta energy: -245.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2749.419937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.419937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.419937 (E_RNA) where: Base-Base interactions energy: -1890.548 where: short stacking energy: -793.208 Base-Backbone interact. energy: -3.559 local terms energy: -855.313202 where: bonds (distance) C4'-P energy: -155.705 bonds (distance) P-C4' energy: -173.046 flat angles C4'-P-C4' energy: -183.975 flat angles P-C4'-P energy: -106.232 tors. eta vs tors. theta energy: -236.355 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: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2619.244524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.244524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.244524 (E_RNA) where: Base-Base interactions energy: -1798.830 where: short stacking energy: -773.275 Base-Backbone interact. energy: -3.981 local terms energy: -816.434260 where: bonds (distance) C4'-P energy: -137.703 bonds (distance) P-C4' energy: -154.872 flat angles C4'-P-C4' energy: -187.356 flat angles P-C4'-P energy: -111.438 tors. eta vs tors. theta energy: -225.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2356.345904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.345904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.345904 (E_RNA) where: Base-Base interactions energy: -1582.311 where: short stacking energy: -688.317 Base-Backbone interact. energy: -2.208 local terms energy: -771.827118 where: bonds (distance) C4'-P energy: -139.718 bonds (distance) P-C4' energy: -173.144 flat angles C4'-P-C4' energy: -175.980 flat angles P-C4'-P energy: -109.721 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: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2461.276183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.276183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.276183 (E_RNA) where: Base-Base interactions energy: -1693.501 where: short stacking energy: -696.958 Base-Backbone interact. energy: -3.967 local terms energy: -763.808111 where: bonds (distance) C4'-P energy: -147.635 bonds (distance) P-C4' energy: -148.641 flat angles C4'-P-C4' energy: -157.716 flat angles P-C4'-P energy: -113.489 tors. eta vs tors. theta energy: -196.326 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: 6, replica: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1969.648337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.648337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.648337 (E_RNA) where: Base-Base interactions energy: -1285.207 where: short stacking energy: -542.913 Base-Backbone interact. energy: -0.326 local terms energy: -684.115137 where: bonds (distance) C4'-P energy: -116.140 bonds (distance) P-C4' energy: -156.073 flat angles C4'-P-C4' energy: -152.780 flat angles P-C4'-P energy: -107.090 tors. eta vs tors. theta energy: -152.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1831.042619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.042619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.042619 (E_RNA) where: Base-Base interactions energy: -1209.869 where: short stacking energy: -530.868 Base-Backbone interact. energy: 0.476 local terms energy: -621.649223 where: bonds (distance) C4'-P energy: -144.397 bonds (distance) P-C4' energy: -132.068 flat angles C4'-P-C4' energy: -154.681 flat angles P-C4'-P energy: -84.145 tors. eta vs tors. theta energy: -106.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1284.338104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.338104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.338104 (E_RNA) where: Base-Base interactions energy: -734.672 where: short stacking energy: -362.850 Base-Backbone interact. energy: 0.416 local terms energy: -550.082574 where: bonds (distance) C4'-P energy: -122.844 bonds (distance) P-C4' energy: -134.953 flat angles C4'-P-C4' energy: -145.024 flat angles P-C4'-P energy: -89.643 tors. eta vs tors. theta energy: -57.619 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: 9, replica: 6 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -853.108780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.108780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.108780 (E_RNA) where: Base-Base interactions energy: -388.551 where: short stacking energy: -227.762 Base-Backbone interact. energy: -0.780 local terms energy: -463.777542 where: bonds (distance) C4'-P energy: -127.085 bonds (distance) P-C4' energy: -145.347 flat angles C4'-P-C4' energy: -139.330 flat angles P-C4'-P energy: -54.260 tors. eta vs tors. theta energy: 2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -784.054555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.054555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.054555 (E_RNA) where: Base-Base interactions energy: -365.120 where: short stacking energy: -213.184 Base-Backbone interact. energy: -1.103 local terms energy: -417.832377 where: bonds (distance) C4'-P energy: -120.332 bonds (distance) P-C4' energy: -128.940 flat angles C4'-P-C4' energy: -111.969 flat angles P-C4'-P energy: -63.509 tors. eta vs tors. theta energy: 6.919 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: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2927.759408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.759408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.759408 (E_RNA) where: Base-Base interactions energy: -2026.469 where: short stacking energy: -847.384 Base-Backbone interact. energy: -1.496 local terms energy: -899.794003 where: bonds (distance) C4'-P energy: -154.187 bonds (distance) P-C4' energy: -173.102 flat angles C4'-P-C4' energy: -189.758 flat angles P-C4'-P energy: -118.321 tors. eta vs tors. theta energy: -264.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2731.604105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.604105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.604105 (E_RNA) where: Base-Base interactions energy: -1878.503 where: short stacking energy: -777.374 Base-Backbone interact. energy: -2.977 local terms energy: -850.124302 where: bonds (distance) C4'-P energy: -163.490 bonds (distance) P-C4' energy: -169.502 flat angles C4'-P-C4' energy: -171.535 flat angles P-C4'-P energy: -122.248 tors. eta vs tors. theta energy: -223.349 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: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2624.834088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.834088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.834088 (E_RNA) where: Base-Base interactions energy: -1819.812 where: short stacking energy: -760.634 Base-Backbone interact. energy: -3.047 local terms energy: -801.974295 where: bonds (distance) C4'-P energy: -135.250 bonds (distance) P-C4' energy: -158.737 flat angles C4'-P-C4' energy: -176.966 flat angles P-C4'-P energy: -105.781 tors. eta vs tors. theta energy: -225.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2360.980671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.980671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.980671 (E_RNA) where: Base-Base interactions energy: -1591.269 where: short stacking energy: -678.653 Base-Backbone interact. energy: -2.330 local terms energy: -767.381907 where: bonds (distance) C4'-P energy: -144.061 bonds (distance) P-C4' energy: -138.401 flat angles C4'-P-C4' energy: -171.198 flat angles P-C4'-P energy: -111.761 tors. eta vs tors. theta energy: -201.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2455.457882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.457882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.457882 (E_RNA) where: Base-Base interactions energy: -1689.912 where: short stacking energy: -732.823 Base-Backbone interact. energy: -2.664 local terms energy: -762.881900 where: bonds (distance) C4'-P energy: -151.589 bonds (distance) P-C4' energy: -149.511 flat angles C4'-P-C4' energy: -147.691 flat angles P-C4'-P energy: -99.762 tors. eta vs tors. theta energy: -214.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1973.257544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.257544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.257544 (E_RNA) where: Base-Base interactions energy: -1319.268 where: short stacking energy: -577.674 Base-Backbone interact. energy: 0.994 local terms energy: -654.984368 where: bonds (distance) C4'-P energy: -106.677 bonds (distance) P-C4' energy: -148.851 flat angles C4'-P-C4' energy: -165.140 flat angles P-C4'-P energy: -89.791 tors. eta vs tors. theta energy: -144.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1849.791373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.791373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.791373 (E_RNA) where: Base-Base interactions energy: -1220.623 where: short stacking energy: -552.856 Base-Backbone interact. energy: 4.422 local terms energy: -633.591212 where: bonds (distance) C4'-P energy: -145.641 bonds (distance) P-C4' energy: -123.926 flat angles C4'-P-C4' energy: -155.235 flat angles P-C4'-P energy: -94.020 tors. eta vs tors. theta energy: -114.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1223.390972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.390972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.390972 (E_RNA) where: Base-Base interactions energy: -700.527 where: short stacking energy: -342.394 Base-Backbone interact. energy: 0.303 local terms energy: -523.166775 where: bonds (distance) C4'-P energy: -146.712 bonds (distance) P-C4' energy: -156.176 flat angles C4'-P-C4' energy: -100.824 flat angles P-C4'-P energy: -93.217 tors. eta vs tors. theta energy: -26.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -826.595673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.595673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.595673 (E_RNA) where: Base-Base interactions energy: -343.903 where: short stacking energy: -205.726 Base-Backbone interact. energy: -1.961 local terms energy: -480.731579 where: bonds (distance) C4'-P energy: -127.431 bonds (distance) P-C4' energy: -137.097 flat angles C4'-P-C4' energy: -133.780 flat angles P-C4'-P energy: -77.610 tors. eta vs tors. theta energy: -4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -806.075762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.075762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.075762 (E_RNA) where: Base-Base interactions energy: -391.949 where: short stacking energy: -244.463 Base-Backbone interact. energy: 1.000 local terms energy: -415.126873 where: bonds (distance) C4'-P energy: -130.059 bonds (distance) P-C4' energy: -117.492 flat angles C4'-P-C4' energy: -117.293 flat angles P-C4'-P energy: -70.736 tors. eta vs tors. theta energy: 20.453 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: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2906.592678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.592678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.592678 (E_RNA) where: Base-Base interactions energy: -2026.090 where: short stacking energy: -867.438 Base-Backbone interact. energy: -4.342 local terms energy: -876.160793 where: bonds (distance) C4'-P energy: -151.160 bonds (distance) P-C4' energy: -168.308 flat angles C4'-P-C4' energy: -185.742 flat angles P-C4'-P energy: -118.035 tors. eta vs tors. theta energy: -252.917 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: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2756.771729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.771729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.771729 (E_RNA) where: Base-Base interactions energy: -1905.640 where: short stacking energy: -795.813 Base-Backbone interact. energy: 2.612 local terms energy: -853.744362 where: bonds (distance) C4'-P energy: -158.698 bonds (distance) P-C4' energy: -175.319 flat angles C4'-P-C4' energy: -173.666 flat angles P-C4'-P energy: -115.265 tors. eta vs tors. theta energy: -230.795 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: 3, replica: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2653.023679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.023679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.023679 (E_RNA) where: Base-Base interactions energy: -1847.757 where: short stacking energy: -786.764 Base-Backbone interact. energy: -1.256 local terms energy: -804.010989 where: bonds (distance) C4'-P energy: -135.024 bonds (distance) P-C4' energy: -140.523 flat angles C4'-P-C4' energy: -181.584 flat angles P-C4'-P energy: -117.245 tors. eta vs tors. theta energy: -229.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2512.968041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.968041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.968041 (E_RNA) where: Base-Base interactions energy: -1714.783 where: short stacking energy: -728.349 Base-Backbone interact. energy: 1.110 local terms energy: -799.295055 where: bonds (distance) C4'-P energy: -134.418 bonds (distance) P-C4' energy: -150.160 flat angles C4'-P-C4' energy: -181.741 flat angles P-C4'-P energy: -120.773 tors. eta vs tors. theta energy: -212.203 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: 10 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2243.685126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.685126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.685126 (E_RNA) where: Base-Base interactions energy: -1497.446 where: short stacking energy: -645.679 Base-Backbone interact. energy: -0.161 local terms energy: -746.078660 where: bonds (distance) C4'-P energy: -136.958 bonds (distance) P-C4' energy: -167.117 flat angles C4'-P-C4' energy: -163.962 flat angles P-C4'-P energy: -102.482 tors. eta vs tors. theta energy: -175.559 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: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1976.009439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.009439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.009439 (E_RNA) where: Base-Base interactions energy: -1269.367 where: short stacking energy: -550.444 Base-Backbone interact. energy: 0.559 local terms energy: -707.201560 where: bonds (distance) C4'-P energy: -160.474 bonds (distance) P-C4' energy: -149.037 flat angles C4'-P-C4' energy: -166.127 flat angles P-C4'-P energy: -96.078 tors. eta vs tors. theta energy: -135.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1730.892840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.892840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.892840 (E_RNA) where: Base-Base interactions energy: -1118.581 where: short stacking energy: -499.692 Base-Backbone interact. energy: 0.701 local terms energy: -613.012731 where: bonds (distance) C4'-P energy: -130.462 bonds (distance) P-C4' energy: -163.433 flat angles C4'-P-C4' energy: -118.442 flat angles P-C4'-P energy: -94.201 tors. eta vs tors. theta energy: -106.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1229.658903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.658903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.658903 (E_RNA) where: Base-Base interactions energy: -722.611 where: short stacking energy: -351.949 Base-Backbone interact. energy: -1.747 local terms energy: -505.301196 where: bonds (distance) C4'-P energy: -118.174 bonds (distance) P-C4' energy: -137.028 flat angles C4'-P-C4' energy: -138.382 flat angles P-C4'-P energy: -84.235 tors. eta vs tors. theta energy: -27.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -790.800496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.800496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.800496 (E_RNA) where: Base-Base interactions energy: -335.957 where: short stacking energy: -228.327 Base-Backbone interact. energy: 1.450 local terms energy: -456.294053 where: bonds (distance) C4'-P energy: -129.813 bonds (distance) P-C4' energy: -146.281 flat angles C4'-P-C4' energy: -103.644 flat angles P-C4'-P energy: -76.084 tors. eta vs tors. theta energy: -0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -686.800418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.800418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.800418 (E_RNA) where: Base-Base interactions energy: -284.951 where: short stacking energy: -197.204 Base-Backbone interact. energy: 5.384 local terms energy: -407.233608 where: bonds (distance) C4'-P energy: -126.347 bonds (distance) P-C4' energy: -133.442 flat angles C4'-P-C4' energy: -118.485 flat angles P-C4'-P energy: -53.012 tors. eta vs tors. theta energy: 24.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2880.082187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.082187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.082187 (E_RNA) where: Base-Base interactions energy: -1987.646 where: short stacking energy: -829.326 Base-Backbone interact. energy: -1.610 local terms energy: -890.826137 where: bonds (distance) C4'-P energy: -154.101 bonds (distance) P-C4' energy: -155.902 flat angles C4'-P-C4' energy: -201.039 flat angles P-C4'-P energy: -142.426 tors. eta vs tors. theta energy: -237.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2733.731336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.731336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.731336 (E_RNA) where: Base-Base interactions energy: -1882.540 where: short stacking energy: -795.082 Base-Backbone interact. energy: -1.790 local terms energy: -849.401160 where: bonds (distance) C4'-P energy: -162.359 bonds (distance) P-C4' energy: -149.476 flat angles C4'-P-C4' energy: -182.991 flat angles P-C4'-P energy: -125.387 tors. eta vs tors. theta energy: -229.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2694.043819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.043819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.043819 (E_RNA) where: Base-Base interactions energy: -1854.499 where: short stacking energy: -764.886 Base-Backbone interact. energy: -3.172 local terms energy: -836.372703 where: bonds (distance) C4'-P energy: -148.084 bonds (distance) P-C4' energy: -150.226 flat angles C4'-P-C4' energy: -194.254 flat angles P-C4'-P energy: -119.459 tors. eta vs tors. theta energy: -224.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2557.057612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.057612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.057612 (E_RNA) where: Base-Base interactions energy: -1751.226 where: short stacking energy: -766.365 Base-Backbone interact. energy: 0.508 local terms energy: -806.339806 where: bonds (distance) C4'-P energy: -142.440 bonds (distance) P-C4' energy: -146.060 flat angles C4'-P-C4' energy: -187.730 flat angles P-C4'-P energy: -104.540 tors. eta vs tors. theta energy: -225.571 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: 10 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2264.835309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.835309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.835309 (E_RNA) where: Base-Base interactions energy: -1537.946 where: short stacking energy: -665.607 Base-Backbone interact. energy: 1.457 local terms energy: -728.345945 where: bonds (distance) C4'-P energy: -136.834 bonds (distance) P-C4' energy: -143.516 flat angles C4'-P-C4' energy: -151.872 flat angles P-C4'-P energy: -112.976 tors. eta vs tors. theta energy: -183.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2039.469028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.469028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.469028 (E_RNA) where: Base-Base interactions energy: -1394.194 where: short stacking energy: -594.522 Base-Backbone interact. energy: -2.594 local terms energy: -642.681738 where: bonds (distance) C4'-P energy: -119.745 bonds (distance) P-C4' energy: -137.508 flat angles C4'-P-C4' energy: -155.452 flat angles P-C4'-P energy: -80.390 tors. eta vs tors. theta energy: -149.586 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: 7, replica: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1734.951688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.951688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.951688 (E_RNA) where: Base-Base interactions energy: -1097.619 where: short stacking energy: -489.633 Base-Backbone interact. energy: -1.266 local terms energy: -636.066369 where: bonds (distance) C4'-P energy: -143.443 bonds (distance) P-C4' energy: -145.384 flat angles C4'-P-C4' energy: -144.226 flat angles P-C4'-P energy: -94.171 tors. eta vs tors. theta energy: -108.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1290.375935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.375935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.375935 (E_RNA) where: Base-Base interactions energy: -742.440 where: short stacking energy: -339.543 Base-Backbone interact. energy: -1.886 local terms energy: -546.050294 where: bonds (distance) C4'-P energy: -141.049 bonds (distance) P-C4' energy: -129.814 flat angles C4'-P-C4' energy: -135.241 flat angles P-C4'-P energy: -95.865 tors. eta vs tors. theta energy: -44.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -772.425653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.425653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.425653 (E_RNA) where: Base-Base interactions energy: -338.498 where: short stacking energy: -240.794 Base-Backbone interact. energy: 2.405 local terms energy: -436.332854 where: bonds (distance) C4'-P energy: -116.790 bonds (distance) P-C4' energy: -136.455 flat angles C4'-P-C4' energy: -116.690 flat angles P-C4'-P energy: -71.992 tors. eta vs tors. theta energy: 5.595 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: 6 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -766.741752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.741752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.741752 (E_RNA) where: Base-Base interactions energy: -373.913 where: short stacking energy: -216.217 Base-Backbone interact. energy: -2.618 local terms energy: -390.211426 where: bonds (distance) C4'-P energy: -128.333 bonds (distance) P-C4' energy: -132.777 flat angles C4'-P-C4' energy: -114.715 flat angles P-C4'-P energy: -51.326 tors. eta vs tors. theta energy: 36.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2882.227756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.227756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.227756 (E_RNA) where: Base-Base interactions energy: -2010.256 where: short stacking energy: -807.504 Base-Backbone interact. energy: -1.740 local terms energy: -870.231862 where: bonds (distance) C4'-P energy: -158.581 bonds (distance) P-C4' energy: -171.990 flat angles C4'-P-C4' energy: -176.396 flat angles P-C4'-P energy: -113.148 tors. eta vs tors. theta energy: -250.116 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: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2745.492172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.492172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.492172 (E_RNA) where: Base-Base interactions energy: -1866.818 where: short stacking energy: -779.732 Base-Backbone interact. energy: -2.945 local terms energy: -875.728906 where: bonds (distance) C4'-P energy: -177.843 bonds (distance) P-C4' energy: -153.061 flat angles C4'-P-C4' energy: -189.759 flat angles P-C4'-P energy: -118.286 tors. eta vs tors. theta energy: -236.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2648.691205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.691205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.691205 (E_RNA) where: Base-Base interactions energy: -1819.067 where: short stacking energy: -769.208 Base-Backbone interact. energy: -3.515 local terms energy: -826.109163 where: bonds (distance) C4'-P energy: -157.558 bonds (distance) P-C4' energy: -144.861 flat angles C4'-P-C4' energy: -177.856 flat angles P-C4'-P energy: -117.560 tors. eta vs tors. theta energy: -228.274 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: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2552.576991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.576991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.576991 (E_RNA) where: Base-Base interactions energy: -1756.187 where: short stacking energy: -740.244 Base-Backbone interact. energy: -5.001 local terms energy: -791.389126 where: bonds (distance) C4'-P energy: -148.081 bonds (distance) P-C4' energy: -151.069 flat angles C4'-P-C4' energy: -157.516 flat angles P-C4'-P energy: -117.992 tors. eta vs tors. theta energy: -216.731 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: 5, replica: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2294.876711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.876711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.876711 (E_RNA) where: Base-Base interactions energy: -1536.667 where: short stacking energy: -642.832 Base-Backbone interact. energy: -3.199 local terms energy: -755.009995 where: bonds (distance) C4'-P energy: -140.661 bonds (distance) P-C4' energy: -159.276 flat angles C4'-P-C4' energy: -173.044 flat angles P-C4'-P energy: -105.870 tors. eta vs tors. theta energy: -176.159 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: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2025.137760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.137760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.137760 (E_RNA) where: Base-Base interactions energy: -1311.443 where: short stacking energy: -585.403 Base-Backbone interact. energy: 0.549 local terms energy: -714.243995 where: bonds (distance) C4'-P energy: -149.055 bonds (distance) P-C4' energy: -152.094 flat angles C4'-P-C4' energy: -171.703 flat angles P-C4'-P energy: -88.399 tors. eta vs tors. theta energy: -152.993 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: 8 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1660.390821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.390821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.390821 (E_RNA) where: Base-Base interactions energy: -1073.452 where: short stacking energy: -489.189 Base-Backbone interact. energy: -2.057 local terms energy: -584.882103 where: bonds (distance) C4'-P energy: -125.437 bonds (distance) P-C4' energy: -144.039 flat angles C4'-P-C4' energy: -138.102 flat angles P-C4'-P energy: -70.331 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: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1178.347943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.347943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.347943 (E_RNA) where: Base-Base interactions energy: -666.589 where: short stacking energy: -368.535 Base-Backbone interact. energy: 1.437 local terms energy: -513.196027 where: bonds (distance) C4'-P energy: -119.878 bonds (distance) P-C4' energy: -134.652 flat angles C4'-P-C4' energy: -124.868 flat angles P-C4'-P energy: -79.177 tors. eta vs tors. theta energy: -54.620 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: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -767.372814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.372814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.372814 (E_RNA) where: Base-Base interactions energy: -342.426 where: short stacking energy: -229.284 Base-Backbone interact. energy: -1.158 local terms energy: -423.789611 where: bonds (distance) C4'-P energy: -117.403 bonds (distance) P-C4' energy: -133.141 flat angles C4'-P-C4' energy: -103.473 flat angles P-C4'-P energy: -83.584 tors. eta vs tors. theta energy: 13.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -842.206927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.206927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.206927 (E_RNA) where: Base-Base interactions energy: -423.992 where: short stacking energy: -237.727 Base-Backbone interact. energy: 2.794 local terms energy: -421.008372 where: bonds (distance) C4'-P energy: -121.886 bonds (distance) P-C4' energy: -107.110 flat angles C4'-P-C4' energy: -124.265 flat angles P-C4'-P energy: -66.255 tors. eta vs tors. theta energy: -1.492 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: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2865.102214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.102214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.102214 (E_RNA) where: Base-Base interactions energy: -1979.791 where: short stacking energy: -822.088 Base-Backbone interact. energy: 0.153 local terms energy: -885.464606 where: bonds (distance) C4'-P energy: -151.994 bonds (distance) P-C4' energy: -175.576 flat angles C4'-P-C4' energy: -198.628 flat angles P-C4'-P energy: -127.606 tors. eta vs tors. theta energy: -231.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2769.379013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.379013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.379013 (E_RNA) where: Base-Base interactions energy: -1884.387 where: short stacking energy: -830.125 Base-Backbone interact. energy: 0.693 local terms energy: -885.685031 where: bonds (distance) C4'-P energy: -158.599 bonds (distance) P-C4' energy: -176.680 flat angles C4'-P-C4' energy: -189.377 flat angles P-C4'-P energy: -125.694 tors. eta vs tors. theta energy: -235.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2654.768109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.768109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.768109 (E_RNA) where: Base-Base interactions energy: -1828.722 where: short stacking energy: -783.729 Base-Backbone interact. energy: -0.015 local terms energy: -826.030640 where: bonds (distance) C4'-P energy: -164.812 bonds (distance) P-C4' energy: -159.783 flat angles C4'-P-C4' energy: -173.808 flat angles P-C4'-P energy: -102.511 tors. eta vs tors. theta energy: -225.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2575.801484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.801484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.801484 (E_RNA) where: Base-Base interactions energy: -1789.775 where: short stacking energy: -762.453 Base-Backbone interact. energy: -6.875 local terms energy: -779.152179 where: bonds (distance) C4'-P energy: -136.535 bonds (distance) P-C4' energy: -147.471 flat angles C4'-P-C4' energy: -157.546 flat angles P-C4'-P energy: -115.918 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: 5, replica: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2357.064563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.064563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.064563 (E_RNA) where: Base-Base interactions energy: -1591.522 where: short stacking energy: -690.465 Base-Backbone interact. energy: 8.065 local terms energy: -773.607839 where: bonds (distance) C4'-P energy: -154.371 bonds (distance) P-C4' energy: -153.929 flat angles C4'-P-C4' energy: -168.921 flat angles P-C4'-P energy: -116.790 tors. eta vs tors. theta energy: -179.596 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: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2093.496067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.496067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.496067 (E_RNA) where: Base-Base interactions energy: -1356.871 where: short stacking energy: -590.305 Base-Backbone interact. energy: -0.918 local terms energy: -735.706729 where: bonds (distance) C4'-P energy: -148.139 bonds (distance) P-C4' energy: -151.609 flat angles C4'-P-C4' energy: -152.578 flat angles P-C4'-P energy: -104.651 tors. eta vs tors. theta energy: -178.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1751.075664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.075664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.075664 (E_RNA) where: Base-Base interactions energy: -1101.310 where: short stacking energy: -488.416 Base-Backbone interact. energy: -2.698 local terms energy: -647.068194 where: bonds (distance) C4'-P energy: -134.431 bonds (distance) P-C4' energy: -145.032 flat angles C4'-P-C4' energy: -155.177 flat angles P-C4'-P energy: -96.359 tors. eta vs tors. theta energy: -116.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1317.407443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.407443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.407443 (E_RNA) where: Base-Base interactions energy: -788.247 where: short stacking energy: -390.706 Base-Backbone interact. energy: -3.116 local terms energy: -526.044431 where: bonds (distance) C4'-P energy: -111.823 bonds (distance) P-C4' energy: -155.150 flat angles C4'-P-C4' energy: -131.438 flat angles P-C4'-P energy: -62.828 tors. eta vs tors. theta energy: -64.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -937.487175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.487175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.487175 (E_RNA) where: Base-Base interactions energy: -480.417 where: short stacking energy: -273.284 Base-Backbone interact. energy: 5.322 local terms energy: -462.391452 where: bonds (distance) C4'-P energy: -139.118 bonds (distance) P-C4' energy: -147.960 flat angles C4'-P-C4' energy: -114.495 flat angles P-C4'-P energy: -61.856 tors. eta vs tors. theta energy: 1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -787.853461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.853461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.853461 (E_RNA) where: Base-Base interactions energy: -357.350 where: short stacking energy: -219.593 Base-Backbone interact. energy: 0.575 local terms energy: -431.078397 where: bonds (distance) C4'-P energy: -142.654 bonds (distance) P-C4' energy: -126.281 flat angles C4'-P-C4' energy: -109.329 flat angles P-C4'-P energy: -50.936 tors. eta vs tors. theta energy: -1.878 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: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2898.020932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.020932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.020932 (E_RNA) where: Base-Base interactions energy: -2002.800 where: short stacking energy: -819.721 Base-Backbone interact. energy: -1.831 local terms energy: -893.389853 where: bonds (distance) C4'-P energy: -161.982 bonds (distance) P-C4' energy: -168.556 flat angles C4'-P-C4' energy: -188.062 flat angles P-C4'-P energy: -128.965 tors. eta vs tors. theta energy: -245.824 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: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2713.553314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.553314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.553314 (E_RNA) where: Base-Base interactions energy: -1868.206 where: short stacking energy: -793.941 Base-Backbone interact. energy: -4.196 local terms energy: -841.151175 where: bonds (distance) C4'-P energy: -153.949 bonds (distance) P-C4' energy: -163.737 flat angles C4'-P-C4' energy: -187.875 flat angles P-C4'-P energy: -110.816 tors. eta vs tors. theta energy: -224.774 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: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2690.806620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.806620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.806620 (E_RNA) where: Base-Base interactions energy: -1824.849 where: short stacking energy: -787.857 Base-Backbone interact. energy: 2.181 local terms energy: -868.138449 where: bonds (distance) C4'-P energy: -160.428 bonds (distance) P-C4' energy: -144.184 flat angles C4'-P-C4' energy: -193.667 flat angles P-C4'-P energy: -138.236 tors. eta vs tors. theta energy: -231.623 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: 299 Temperature: 1.050000 Total energy: -2515.231138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.231138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.231138 (E_RNA) where: Base-Base interactions energy: -1715.914 where: short stacking energy: -723.949 Base-Backbone interact. energy: 5.486 local terms energy: -804.803803 where: bonds (distance) C4'-P energy: -149.080 bonds (distance) P-C4' energy: -162.733 flat angles C4'-P-C4' energy: -166.926 flat angles P-C4'-P energy: -113.423 tors. eta vs tors. theta energy: -212.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2310.793226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.793226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.793226 (E_RNA) where: Base-Base interactions energy: -1567.626 where: short stacking energy: -673.097 Base-Backbone interact. energy: 0.127 local terms energy: -743.294280 where: bonds (distance) C4'-P energy: -136.707 bonds (distance) P-C4' energy: -148.442 flat angles C4'-P-C4' energy: -159.902 flat angles P-C4'-P energy: -104.946 tors. eta vs tors. theta energy: -193.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2043.620431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.620431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.620431 (E_RNA) where: Base-Base interactions energy: -1369.152 where: short stacking energy: -596.649 Base-Backbone interact. energy: 5.421 local terms energy: -679.889664 where: bonds (distance) C4'-P energy: -129.080 bonds (distance) P-C4' energy: -138.308 flat angles C4'-P-C4' energy: -163.327 flat angles P-C4'-P energy: -101.975 tors. eta vs tors. theta energy: -147.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1800.995784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.995784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.995784 (E_RNA) where: Base-Base interactions energy: -1149.856 where: short stacking energy: -511.439 Base-Backbone interact. energy: 1.189 local terms energy: -652.328565 where: bonds (distance) C4'-P energy: -124.457 bonds (distance) P-C4' energy: -167.726 flat angles C4'-P-C4' energy: -143.439 flat angles P-C4'-P energy: -94.361 tors. eta vs tors. theta energy: -122.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1285.871481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.871481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.871481 (E_RNA) where: Base-Base interactions energy: -745.570 where: short stacking energy: -361.141 Base-Backbone interact. energy: 0.170 local terms energy: -540.472101 where: bonds (distance) C4'-P energy: -116.337 bonds (distance) P-C4' energy: -143.927 flat angles C4'-P-C4' energy: -134.960 flat angles P-C4'-P energy: -80.339 tors. eta vs tors. theta energy: -64.909 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: 6 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -931.225678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.225678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.225678 (E_RNA) where: Base-Base interactions energy: -489.422 where: short stacking energy: -264.252 Base-Backbone interact. energy: 1.898 local terms energy: -443.700899 where: bonds (distance) C4'-P energy: -130.428 bonds (distance) P-C4' energy: -139.247 flat angles C4'-P-C4' energy: -101.934 flat angles P-C4'-P energy: -73.668 tors. eta vs tors. theta energy: 1.577 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: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -770.251271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.251271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.251271 (E_RNA) where: Base-Base interactions energy: -351.369 where: short stacking energy: -239.311 Base-Backbone interact. energy: -0.783 local terms energy: -418.098416 where: bonds (distance) C4'-P energy: -127.418 bonds (distance) P-C4' energy: -130.016 flat angles C4'-P-C4' energy: -103.203 flat angles P-C4'-P energy: -62.275 tors. eta vs tors. theta energy: 4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2886.887622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.887622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.887622 (E_RNA) where: Base-Base interactions energy: -1987.840 where: short stacking energy: -845.053 Base-Backbone interact. energy: -3.169 local terms energy: -895.878494 where: bonds (distance) C4'-P energy: -165.644 bonds (distance) P-C4' energy: -165.414 flat angles C4'-P-C4' energy: -192.505 flat angles P-C4'-P energy: -129.780 tors. eta vs tors. theta energy: -242.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2760.430852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.430852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.430852 (E_RNA) where: Base-Base interactions energy: -1872.894 where: short stacking energy: -791.231 Base-Backbone interact. energy: -3.092 local terms energy: -884.444254 where: bonds (distance) C4'-P energy: -159.923 bonds (distance) P-C4' energy: -170.924 flat angles C4'-P-C4' energy: -184.936 flat angles P-C4'-P energy: -129.453 tors. eta vs tors. theta energy: -239.209 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: 1 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2678.641433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.641433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.641433 (E_RNA) where: Base-Base interactions energy: -1853.175 where: short stacking energy: -794.093 Base-Backbone interact. energy: 11.521 local terms energy: -836.986811 where: bonds (distance) C4'-P energy: -144.559 bonds (distance) P-C4' energy: -164.287 flat angles C4'-P-C4' energy: -180.808 flat angles P-C4'-P energy: -120.492 tors. eta vs tors. theta energy: -226.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2559.549348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.549348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.549348 (E_RNA) where: Base-Base interactions energy: -1772.008 where: short stacking energy: -742.551 Base-Backbone interact. energy: -3.733 local terms energy: -783.809217 where: bonds (distance) C4'-P energy: -143.345 bonds (distance) P-C4' energy: -144.973 flat angles C4'-P-C4' energy: -173.009 flat angles P-C4'-P energy: -104.561 tors. eta vs tors. theta energy: -217.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2311.904846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.904846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.904846 (E_RNA) where: Base-Base interactions energy: -1553.397 where: short stacking energy: -670.256 Base-Backbone interact. energy: -1.036 local terms energy: -757.472108 where: bonds (distance) C4'-P energy: -141.975 bonds (distance) P-C4' energy: -148.953 flat angles C4'-P-C4' energy: -177.170 flat angles P-C4'-P energy: -108.070 tors. eta vs tors. theta energy: -181.303 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: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2029.250454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.250454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.250454 (E_RNA) where: Base-Base interactions energy: -1330.502 where: short stacking energy: -563.752 Base-Backbone interact. energy: -0.834 local terms energy: -697.914184 where: bonds (distance) C4'-P energy: -135.992 bonds (distance) P-C4' energy: -169.477 flat angles C4'-P-C4' energy: -159.304 flat angles P-C4'-P energy: -99.266 tors. eta vs tors. theta energy: -133.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1763.155974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.155974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.155974 (E_RNA) where: Base-Base interactions energy: -1151.426 where: short stacking energy: -507.850 Base-Backbone interact. energy: 1.677 local terms energy: -613.407048 where: bonds (distance) C4'-P energy: -133.729 bonds (distance) P-C4' energy: -133.854 flat angles C4'-P-C4' energy: -149.540 flat angles P-C4'-P energy: -90.839 tors. eta vs tors. theta energy: -105.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1304.871515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.871515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.871515 (E_RNA) where: Base-Base interactions energy: -748.782 where: short stacking energy: -374.734 Base-Backbone interact. energy: -3.572 local terms energy: -552.517204 where: bonds (distance) C4'-P energy: -131.997 bonds (distance) P-C4' energy: -143.977 flat angles C4'-P-C4' energy: -120.955 flat angles P-C4'-P energy: -81.011 tors. eta vs tors. theta energy: -74.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -943.069257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.069257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.069257 (E_RNA) where: Base-Base interactions energy: -467.605 where: short stacking energy: -251.121 Base-Backbone interact. energy: 4.898 local terms energy: -480.361692 where: bonds (distance) C4'-P energy: -133.352 bonds (distance) P-C4' energy: -150.591 flat angles C4'-P-C4' energy: -120.215 flat angles P-C4'-P energy: -71.446 tors. eta vs tors. theta energy: -4.758 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: 9 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -742.347754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.347754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.347754 (E_RNA) where: Base-Base interactions energy: -325.772 where: short stacking energy: -213.743 Base-Backbone interact. energy: 2.568 local terms energy: -419.143957 where: bonds (distance) C4'-P energy: -141.909 bonds (distance) P-C4' energy: -151.227 flat angles C4'-P-C4' energy: -93.725 flat angles P-C4'-P energy: -54.504 tors. eta vs tors. theta energy: 22.222 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: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2923.683748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.683748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.683748 (E_RNA) where: Base-Base interactions energy: -2043.497 where: short stacking energy: -842.857 Base-Backbone interact. energy: -1.080 local terms energy: -879.107032 where: bonds (distance) C4'-P energy: -155.483 bonds (distance) P-C4' energy: -162.878 flat angles C4'-P-C4' energy: -192.873 flat angles P-C4'-P energy: -120.889 tors. eta vs tors. theta energy: -246.984 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: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2775.220712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.220712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.220712 (E_RNA) where: Base-Base interactions energy: -1917.726 where: short stacking energy: -828.829 Base-Backbone interact. energy: 0.904 local terms energy: -858.398665 where: bonds (distance) C4'-P energy: -153.980 bonds (distance) P-C4' energy: -154.318 flat angles C4'-P-C4' energy: -187.313 flat angles P-C4'-P energy: -124.966 tors. eta vs tors. theta energy: -237.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2679.215249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.215249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.215249 (E_RNA) where: Base-Base interactions energy: -1848.583 where: short stacking energy: -795.806 Base-Backbone interact. energy: -0.890 local terms energy: -829.742345 where: bonds (distance) C4'-P energy: -138.683 bonds (distance) P-C4' energy: -150.122 flat angles C4'-P-C4' energy: -183.108 flat angles P-C4'-P energy: -123.413 tors. eta vs tors. theta energy: -234.417 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: 2 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2592.539237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.539237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.539237 (E_RNA) where: Base-Base interactions energy: -1792.206 where: short stacking energy: -764.126 Base-Backbone interact. energy: -0.724 local terms energy: -799.609000 where: bonds (distance) C4'-P energy: -151.426 bonds (distance) P-C4' energy: -147.105 flat angles C4'-P-C4' energy: -163.549 flat angles P-C4'-P energy: -104.292 tors. eta vs tors. theta energy: -233.237 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: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2377.928750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.928750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.928750 (E_RNA) where: Base-Base interactions energy: -1596.737 where: short stacking energy: -679.440 Base-Backbone interact. energy: -1.793 local terms energy: -779.398621 where: bonds (distance) C4'-P energy: -140.878 bonds (distance) P-C4' energy: -150.415 flat angles C4'-P-C4' energy: -173.410 flat angles P-C4'-P energy: -119.066 tors. eta vs tors. theta energy: -195.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2059.978784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.978784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.978784 (E_RNA) where: Base-Base interactions energy: -1363.815 where: short stacking energy: -592.456 Base-Backbone interact. energy: -1.847 local terms energy: -694.317409 where: bonds (distance) C4'-P energy: -144.823 bonds (distance) P-C4' energy: -131.728 flat angles C4'-P-C4' energy: -167.951 flat angles P-C4'-P energy: -100.042 tors. eta vs tors. theta energy: -149.773 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: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1702.515586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.515586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.515586 (E_RNA) where: Base-Base interactions energy: -1094.353 where: short stacking energy: -502.739 Base-Backbone interact. energy: 0.734 local terms energy: -608.896257 where: bonds (distance) C4'-P energy: -135.265 bonds (distance) P-C4' energy: -144.461 flat angles C4'-P-C4' energy: -139.008 flat angles P-C4'-P energy: -77.754 tors. eta vs tors. theta energy: -112.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1278.111987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.111987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.111987 (E_RNA) where: Base-Base interactions energy: -701.266 where: short stacking energy: -333.813 Base-Backbone interact. energy: -1.973 local terms energy: -574.872963 where: bonds (distance) C4'-P energy: -133.258 bonds (distance) P-C4' energy: -145.079 flat angles C4'-P-C4' energy: -133.162 flat angles P-C4'-P energy: -99.427 tors. eta vs tors. theta energy: -63.947 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: 6 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -960.444472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.444472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.444472 (E_RNA) where: Base-Base interactions energy: -450.758 where: short stacking energy: -233.274 Base-Backbone interact. energy: 0.316 local terms energy: -510.002510 where: bonds (distance) C4'-P energy: -126.329 bonds (distance) P-C4' energy: -134.836 flat angles C4'-P-C4' energy: -142.387 flat angles P-C4'-P energy: -88.528 tors. eta vs tors. theta energy: -17.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -762.503461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.503461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.503461 (E_RNA) where: Base-Base interactions energy: -357.036 where: short stacking energy: -233.865 Base-Backbone interact. energy: 0.963 local terms energy: -406.430399 where: bonds (distance) C4'-P energy: -123.238 bonds (distance) P-C4' energy: -147.587 flat angles C4'-P-C4' energy: -100.282 flat angles P-C4'-P energy: -64.580 tors. eta vs tors. theta energy: 29.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2894.657197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.657197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.657197 (E_RNA) where: Base-Base interactions energy: -1994.995 where: short stacking energy: -806.128 Base-Backbone interact. energy: -3.904 local terms energy: -895.758757 where: bonds (distance) C4'-P energy: -165.937 bonds (distance) P-C4' energy: -167.974 flat angles C4'-P-C4' energy: -193.571 flat angles P-C4'-P energy: -131.777 tors. eta vs tors. theta energy: -236.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2776.407877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.407877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.407877 (E_RNA) where: Base-Base interactions energy: -1909.081 where: short stacking energy: -818.339 Base-Backbone interact. energy: -1.541 local terms energy: -865.785946 where: bonds (distance) C4'-P energy: -161.169 bonds (distance) P-C4' energy: -161.213 flat angles C4'-P-C4' energy: -183.404 flat angles P-C4'-P energy: -116.487 tors. eta vs tors. theta energy: -243.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2663.164298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.164298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.164298 (E_RNA) where: Base-Base interactions energy: -1829.952 where: short stacking energy: -794.963 Base-Backbone interact. energy: -1.078 local terms energy: -832.134027 where: bonds (distance) C4'-P energy: -151.513 bonds (distance) P-C4' energy: -166.432 flat angles C4'-P-C4' energy: -181.974 flat angles P-C4'-P energy: -113.247 tors. eta vs tors. theta energy: -218.969 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: 4, replica: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2598.232630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.232630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.232630 (E_RNA) where: Base-Base interactions energy: -1786.581 where: short stacking energy: -738.709 Base-Backbone interact. energy: -2.389 local terms energy: -809.263265 where: bonds (distance) C4'-P energy: -148.942 bonds (distance) P-C4' energy: -146.247 flat angles C4'-P-C4' energy: -176.232 flat angles P-C4'-P energy: -116.975 tors. eta vs tors. theta energy: -220.867 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: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2332.314768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.314768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.314768 (E_RNA) where: Base-Base interactions energy: -1564.108 where: short stacking energy: -683.590 Base-Backbone interact. energy: -1.488 local terms energy: -766.718545 where: bonds (distance) C4'-P energy: -142.752 bonds (distance) P-C4' energy: -148.016 flat angles C4'-P-C4' energy: -174.537 flat angles P-C4'-P energy: -110.096 tors. eta vs tors. theta energy: -191.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2025.269891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.269891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.269891 (E_RNA) where: Base-Base interactions energy: -1341.244 where: short stacking energy: -599.307 Base-Backbone interact. energy: -3.124 local terms energy: -680.902308 where: bonds (distance) C4'-P energy: -133.336 bonds (distance) P-C4' energy: -140.361 flat angles C4'-P-C4' energy: -158.733 flat angles P-C4'-P energy: -90.204 tors. eta vs tors. theta energy: -158.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1710.162171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.162171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.162171 (E_RNA) where: Base-Base interactions energy: -1107.286 where: short stacking energy: -474.375 Base-Backbone interact. energy: 5.081 local terms energy: -607.956540 where: bonds (distance) C4'-P energy: -149.620 bonds (distance) P-C4' energy: -123.365 flat angles C4'-P-C4' energy: -138.341 flat angles P-C4'-P energy: -104.123 tors. eta vs tors. theta energy: -92.508 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: 8, replica: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1294.605136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.605136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.605136 (E_RNA) where: Base-Base interactions energy: -750.462 where: short stacking energy: -374.829 Base-Backbone interact. energy: 6.333 local terms energy: -550.476924 where: bonds (distance) C4'-P energy: -149.273 bonds (distance) P-C4' energy: -139.613 flat angles C4'-P-C4' energy: -136.249 flat angles P-C4'-P energy: -78.981 tors. eta vs tors. theta energy: -46.362 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: 9, replica: 6 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -980.160612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.160612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.160612 (E_RNA) where: Base-Base interactions energy: -500.579 where: short stacking energy: -279.615 Base-Backbone interact. energy: 5.190 local terms energy: -484.771619 where: bonds (distance) C4'-P energy: -130.893 bonds (distance) P-C4' energy: -129.463 flat angles C4'-P-C4' energy: -108.187 flat angles P-C4'-P energy: -90.265 tors. eta vs tors. theta energy: -25.963 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: 9 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -732.454723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.454723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.454723 (E_RNA) where: Base-Base interactions energy: -299.445 where: short stacking energy: -188.571 Base-Backbone interact. energy: -3.772 local terms energy: -429.238070 where: bonds (distance) C4'-P energy: -128.168 bonds (distance) P-C4' energy: -141.224 flat angles C4'-P-C4' energy: -121.308 flat angles P-C4'-P energy: -64.832 tors. eta vs tors. theta energy: 26.293 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: 303 Temperature: 0.900000 Total energy: -2904.876076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.876076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.876076 (E_RNA) where: Base-Base interactions energy: -2017.280 where: short stacking energy: -844.164 Base-Backbone interact. energy: -5.154 local terms energy: -882.441714 where: bonds (distance) C4'-P energy: -159.545 bonds (distance) P-C4' energy: -164.438 flat angles C4'-P-C4' energy: -186.149 flat angles P-C4'-P energy: -122.909 tors. eta vs tors. theta energy: -249.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2735.491581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.491581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.491581 (E_RNA) where: Base-Base interactions energy: -1860.864 where: short stacking energy: -804.272 Base-Backbone interact. energy: -2.168 local terms energy: -872.459300 where: bonds (distance) C4'-P energy: -161.022 bonds (distance) P-C4' energy: -144.883 flat angles C4'-P-C4' energy: -194.397 flat angles P-C4'-P energy: -134.593 tors. eta vs tors. theta energy: -237.564 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: 7 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2722.051126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.051126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.051126 (E_RNA) where: Base-Base interactions energy: -1901.063 where: short stacking energy: -788.145 Base-Backbone interact. energy: 1.474 local terms energy: -822.461363 where: bonds (distance) C4'-P energy: -152.820 bonds (distance) P-C4' energy: -150.002 flat angles C4'-P-C4' energy: -180.819 flat angles P-C4'-P energy: -114.328 tors. eta vs tors. theta energy: -224.492 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: 4, replica: 2 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2586.439342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.439342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.439342 (E_RNA) where: Base-Base interactions energy: -1805.504 where: short stacking energy: -750.135 Base-Backbone interact. energy: -4.514 local terms energy: -776.421370 where: bonds (distance) C4'-P energy: -134.650 bonds (distance) P-C4' energy: -141.049 flat angles C4'-P-C4' energy: -178.652 flat angles P-C4'-P energy: -105.084 tors. eta vs tors. theta energy: -216.987 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: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2339.293001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.293001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.293001 (E_RNA) where: Base-Base interactions energy: -1600.431 where: short stacking energy: -668.351 Base-Backbone interact. energy: -1.564 local terms energy: -737.298658 where: bonds (distance) C4'-P energy: -138.878 bonds (distance) P-C4' energy: -139.453 flat angles C4'-P-C4' energy: -161.712 flat angles P-C4'-P energy: -106.728 tors. eta vs tors. theta energy: -190.528 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: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2023.193980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.193980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.193980 (E_RNA) where: Base-Base interactions energy: -1338.575 where: short stacking energy: -588.523 Base-Backbone interact. energy: 3.083 local terms energy: -687.702022 where: bonds (distance) C4'-P energy: -130.445 bonds (distance) P-C4' energy: -148.205 flat angles C4'-P-C4' energy: -155.180 flat angles P-C4'-P energy: -106.178 tors. eta vs tors. theta energy: -147.694 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: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1648.695357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.695357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.695357 (E_RNA) where: Base-Base interactions energy: -1040.012 where: short stacking energy: -476.753 Base-Backbone interact. energy: -1.362 local terms energy: -607.321055 where: bonds (distance) C4'-P energy: -139.410 bonds (distance) P-C4' energy: -152.584 flat angles C4'-P-C4' energy: -153.061 flat angles P-C4'-P energy: -83.007 tors. eta vs tors. theta energy: -79.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1281.636006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.636006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.636006 (E_RNA) where: Base-Base interactions energy: -745.771 where: short stacking energy: -369.002 Base-Backbone interact. energy: -2.351 local terms energy: -533.513872 where: bonds (distance) C4'-P energy: -145.485 bonds (distance) P-C4' energy: -154.560 flat angles C4'-P-C4' energy: -111.727 flat angles P-C4'-P energy: -70.930 tors. eta vs tors. theta energy: -50.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1043.562365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.562365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.562365 (E_RNA) where: Base-Base interactions energy: -560.007 where: short stacking energy: -306.336 Base-Backbone interact. energy: 1.874 local terms energy: -485.429798 where: bonds (distance) C4'-P energy: -135.033 bonds (distance) P-C4' energy: -150.336 flat angles C4'-P-C4' energy: -133.195 flat angles P-C4'-P energy: -63.771 tors. eta vs tors. theta energy: -3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -731.823382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.823382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.823382 (E_RNA) where: Base-Base interactions energy: -297.808 where: short stacking energy: -202.799 Base-Backbone interact. energy: 1.782 local terms energy: -435.797267 where: bonds (distance) C4'-P energy: -138.419 bonds (distance) P-C4' energy: -147.623 flat angles C4'-P-C4' energy: -107.491 flat angles P-C4'-P energy: -64.057 tors. eta vs tors. theta energy: 21.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2879.065667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.065667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.065667 (E_RNA) where: Base-Base interactions energy: -2035.824 where: short stacking energy: -821.512 Base-Backbone interact. energy: 1.947 local terms energy: -845.189385 where: bonds (distance) C4'-P energy: -148.147 bonds (distance) P-C4' energy: -157.881 flat angles C4'-P-C4' energy: -173.452 flat angles P-C4'-P energy: -115.928 tors. eta vs tors. theta energy: -249.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2780.198671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.198671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.198671 (E_RNA) where: Base-Base interactions energy: -1926.845 where: short stacking energy: -832.610 Base-Backbone interact. energy: -4.219 local terms energy: -849.134823 where: bonds (distance) C4'-P energy: -167.101 bonds (distance) P-C4' energy: -157.505 flat angles C4'-P-C4' energy: -169.995 flat angles P-C4'-P energy: -116.385 tors. eta vs tors. theta energy: -238.150 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: 7 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2763.765611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.765611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.765611 (E_RNA) where: Base-Base interactions energy: -1939.150 where: short stacking energy: -785.512 Base-Backbone interact. energy: -5.301 local terms energy: -819.314728 where: bonds (distance) C4'-P energy: -159.166 bonds (distance) P-C4' energy: -158.395 flat angles C4'-P-C4' energy: -175.640 flat angles P-C4'-P energy: -104.362 tors. eta vs tors. theta energy: -221.751 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: 304 Temperature: 1.050000 Total energy: -2588.317481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.317481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.317481 (E_RNA) where: Base-Base interactions energy: -1785.045 where: short stacking energy: -756.025 Base-Backbone interact. energy: -2.210 local terms energy: -801.061847 where: bonds (distance) C4'-P energy: -158.765 bonds (distance) P-C4' energy: -134.456 flat angles C4'-P-C4' energy: -174.344 flat angles P-C4'-P energy: -101.588 tors. eta vs tors. theta energy: -231.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2363.751412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.751412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.751412 (E_RNA) where: Base-Base interactions energy: -1609.019 where: short stacking energy: -688.536 Base-Backbone interact. energy: 0.077 local terms energy: -754.809248 where: bonds (distance) C4'-P energy: -148.554 bonds (distance) P-C4' energy: -137.560 flat angles C4'-P-C4' energy: -166.029 flat angles P-C4'-P energy: -106.046 tors. eta vs tors. theta energy: -196.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2039.656459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.656459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.656459 (E_RNA) where: Base-Base interactions energy: -1336.329 where: short stacking energy: -578.815 Base-Backbone interact. energy: -2.155 local terms energy: -701.171787 where: bonds (distance) C4'-P energy: -151.749 bonds (distance) P-C4' energy: -153.623 flat angles C4'-P-C4' energy: -152.847 flat angles P-C4'-P energy: -99.077 tors. eta vs tors. theta energy: -143.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1677.354954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.354954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.354954 (E_RNA) where: Base-Base interactions energy: -1023.641 where: short stacking energy: -457.749 Base-Backbone interact. energy: -4.310 local terms energy: -649.404255 where: bonds (distance) C4'-P energy: -150.960 bonds (distance) P-C4' energy: -147.189 flat angles C4'-P-C4' energy: -148.628 flat angles P-C4'-P energy: -91.314 tors. eta vs tors. theta energy: -111.312 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: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1216.851417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.851417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.851417 (E_RNA) where: Base-Base interactions energy: -675.704 where: short stacking energy: -341.790 Base-Backbone interact. energy: 0.618 local terms energy: -541.765124 where: bonds (distance) C4'-P energy: -150.508 bonds (distance) P-C4' energy: -140.412 flat angles C4'-P-C4' energy: -132.329 flat angles P-C4'-P energy: -65.712 tors. eta vs tors. theta energy: -52.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -996.406775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.406775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.406775 (E_RNA) where: Base-Base interactions energy: -520.863 where: short stacking energy: -302.430 Base-Backbone interact. energy: 4.341 local terms energy: -479.884541 where: bonds (distance) C4'-P energy: -140.890 bonds (distance) P-C4' energy: -122.397 flat angles C4'-P-C4' energy: -97.891 flat angles P-C4'-P energy: -84.712 tors. eta vs tors. theta energy: -33.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -777.225012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.225012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.225012 (E_RNA) where: Base-Base interactions energy: -314.270 where: short stacking energy: -230.069 Base-Backbone interact. energy: 3.153 local terms energy: -466.107127 where: bonds (distance) C4'-P energy: -158.840 bonds (distance) P-C4' energy: -146.783 flat angles C4'-P-C4' energy: -122.232 flat angles P-C4'-P energy: -54.992 tors. eta vs tors. theta energy: 16.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2850.785145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.785145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.785145 (E_RNA) where: Base-Base interactions energy: -1957.844 where: short stacking energy: -831.909 Base-Backbone interact. energy: -5.116 local terms energy: -887.825419 where: bonds (distance) C4'-P energy: -152.854 bonds (distance) P-C4' energy: -160.033 flat angles C4'-P-C4' energy: -197.767 flat angles P-C4'-P energy: -123.174 tors. eta vs tors. theta energy: -253.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2737.788473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.788473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.788473 (E_RNA) where: Base-Base interactions energy: -1907.059 where: short stacking energy: -802.145 Base-Backbone interact. energy: -3.546 local terms energy: -827.183189 where: bonds (distance) C4'-P energy: -142.107 bonds (distance) P-C4' energy: -143.846 flat angles C4'-P-C4' energy: -197.881 flat angles P-C4'-P energy: -124.219 tors. eta vs tors. theta energy: -219.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2668.051478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.051478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.051478 (E_RNA) where: Base-Base interactions energy: -1811.800 where: short stacking energy: -764.495 Base-Backbone interact. energy: -3.399 local terms energy: -852.851841 where: bonds (distance) C4'-P energy: -166.582 bonds (distance) P-C4' energy: -145.683 flat angles C4'-P-C4' energy: -180.339 flat angles P-C4'-P energy: -132.483 tors. eta vs tors. theta energy: -227.765 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: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2599.121995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.121995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.121995 (E_RNA) where: Base-Base interactions energy: -1770.184 where: short stacking energy: -772.695 Base-Backbone interact. energy: -2.881 local terms energy: -826.057214 where: bonds (distance) C4'-P energy: -148.928 bonds (distance) P-C4' energy: -146.749 flat angles C4'-P-C4' energy: -164.097 flat angles P-C4'-P energy: -124.418 tors. eta vs tors. theta energy: -241.864 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: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2323.961995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.961995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.961995 (E_RNA) where: Base-Base interactions energy: -1606.574 where: short stacking energy: -691.637 Base-Backbone interact. energy: -2.688 local terms energy: -714.699394 where: bonds (distance) C4'-P energy: -146.029 bonds (distance) P-C4' energy: -149.838 flat angles C4'-P-C4' energy: -140.727 flat angles P-C4'-P energy: -95.563 tors. eta vs tors. theta energy: -182.542 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: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2077.675911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.675911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.675911 (E_RNA) where: Base-Base interactions energy: -1357.825 where: short stacking energy: -614.003 Base-Backbone interact. energy: -0.321 local terms energy: -719.529646 where: bonds (distance) C4'-P energy: -136.232 bonds (distance) P-C4' energy: -138.427 flat angles C4'-P-C4' energy: -165.654 flat angles P-C4'-P energy: -97.121 tors. eta vs tors. theta energy: -182.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1709.506592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.506592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.506592 (E_RNA) where: Base-Base interactions energy: -1081.155 where: short stacking energy: -497.221 Base-Backbone interact. energy: -0.547 local terms energy: -627.804754 where: bonds (distance) C4'-P energy: -128.662 bonds (distance) P-C4' energy: -119.771 flat angles C4'-P-C4' energy: -152.974 flat angles P-C4'-P energy: -102.864 tors. eta vs tors. theta energy: -123.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1246.081147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.081147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.081147 (E_RNA) where: Base-Base interactions energy: -696.496 where: short stacking energy: -362.171 Base-Backbone interact. energy: 2.415 local terms energy: -551.999895 where: bonds (distance) C4'-P energy: -151.694 bonds (distance) P-C4' energy: -138.558 flat angles C4'-P-C4' energy: -151.137 flat angles P-C4'-P energy: -52.911 tors. eta vs tors. theta energy: -57.700 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: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -928.592039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.592039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.592039 (E_RNA) where: Base-Base interactions energy: -475.018 where: short stacking energy: -249.022 Base-Backbone interact. energy: -1.683 local terms energy: -451.891299 where: bonds (distance) C4'-P energy: -111.561 bonds (distance) P-C4' energy: -127.439 flat angles C4'-P-C4' energy: -103.756 flat angles P-C4'-P energy: -88.462 tors. eta vs tors. theta energy: -20.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -729.988213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.988213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.988213 (E_RNA) where: Base-Base interactions energy: -330.909 where: short stacking energy: -203.265 Base-Backbone interact. energy: 3.391 local terms energy: -402.469872 where: bonds (distance) C4'-P energy: -122.344 bonds (distance) P-C4' energy: -110.514 flat angles C4'-P-C4' energy: -119.495 flat angles P-C4'-P energy: -78.439 tors. eta vs tors. theta energy: 28.322 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: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2825.561798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.561798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.561798 (E_RNA) where: Base-Base interactions energy: -1939.348 where: short stacking energy: -795.640 Base-Backbone interact. energy: -5.044 local terms energy: -881.169623 where: bonds (distance) C4'-P energy: -165.568 bonds (distance) P-C4' energy: -165.047 flat angles C4'-P-C4' energy: -179.984 flat angles P-C4'-P energy: -127.903 tors. eta vs tors. theta energy: -242.669 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: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2771.102937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.102937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.102937 (E_RNA) where: Base-Base interactions energy: -1896.700 where: short stacking energy: -832.183 Base-Backbone interact. energy: -6.437 local terms energy: -867.965568 where: bonds (distance) C4'-P energy: -159.154 bonds (distance) P-C4' energy: -157.807 flat angles C4'-P-C4' energy: -194.465 flat angles P-C4'-P energy: -123.517 tors. eta vs tors. theta energy: -233.023 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: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2696.183808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.183808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.183808 (E_RNA) where: Base-Base interactions energy: -1878.233 where: short stacking energy: -796.099 Base-Backbone interact. energy: 6.315 local terms energy: -824.265365 where: bonds (distance) C4'-P energy: -140.313 bonds (distance) P-C4' energy: -152.249 flat angles C4'-P-C4' energy: -180.978 flat angles P-C4'-P energy: -114.068 tors. eta vs tors. theta energy: -236.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2623.042343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.042343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.042343 (E_RNA) where: Base-Base interactions energy: -1805.383 where: short stacking energy: -736.819 Base-Backbone interact. energy: -3.761 local terms energy: -813.898878 where: bonds (distance) C4'-P energy: -147.205 bonds (distance) P-C4' energy: -154.469 flat angles C4'-P-C4' energy: -176.147 flat angles P-C4'-P energy: -110.377 tors. eta vs tors. theta energy: -225.700 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: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2282.024603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.024603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.024603 (E_RNA) where: Base-Base interactions energy: -1552.686 where: short stacking energy: -679.310 Base-Backbone interact. energy: 0.166 local terms energy: -729.505069 where: bonds (distance) C4'-P energy: -135.245 bonds (distance) P-C4' energy: -152.718 flat angles C4'-P-C4' energy: -153.146 flat angles P-C4'-P energy: -110.278 tors. eta vs tors. theta energy: -178.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2071.828734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.828734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.828734 (E_RNA) where: Base-Base interactions energy: -1379.808 where: short stacking energy: -602.167 Base-Backbone interact. energy: 0.259 local terms energy: -692.279875 where: bonds (distance) C4'-P energy: -140.157 bonds (distance) P-C4' energy: -145.948 flat angles C4'-P-C4' energy: -143.578 flat angles P-C4'-P energy: -93.091 tors. eta vs tors. theta energy: -169.507 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: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1755.133231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.133231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.133231 (E_RNA) where: Base-Base interactions energy: -1122.665 where: short stacking energy: -492.797 Base-Backbone interact. energy: -2.321 local terms energy: -630.146895 where: bonds (distance) C4'-P energy: -146.728 bonds (distance) P-C4' energy: -137.969 flat angles C4'-P-C4' energy: -150.824 flat angles P-C4'-P energy: -79.104 tors. eta vs tors. theta energy: -115.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1293.948572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.948572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.948572 (E_RNA) where: Base-Base interactions energy: -774.360 where: short stacking energy: -363.384 Base-Backbone interact. energy: -2.828 local terms energy: -516.759728 where: bonds (distance) C4'-P energy: -131.040 bonds (distance) P-C4' energy: -143.729 flat angles C4'-P-C4' energy: -128.795 flat angles P-C4'-P energy: -70.264 tors. eta vs tors. theta energy: -42.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -921.229550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.229550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.229550 (E_RNA) where: Base-Base interactions energy: -485.978 where: short stacking energy: -266.651 Base-Backbone interact. energy: 6.650 local terms energy: -441.901587 where: bonds (distance) C4'-P energy: -116.136 bonds (distance) P-C4' energy: -129.841 flat angles C4'-P-C4' energy: -104.943 flat angles P-C4'-P energy: -86.868 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -753.458715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.458715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.458715 (E_RNA) where: Base-Base interactions energy: -374.712 where: short stacking energy: -258.209 Base-Backbone interact. energy: 0.730 local terms energy: -379.476859 where: bonds (distance) C4'-P energy: -112.749 bonds (distance) P-C4' energy: -118.291 flat angles C4'-P-C4' energy: -89.813 flat angles P-C4'-P energy: -53.059 tors. eta vs tors. theta energy: -5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2848.615448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.615448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.615448 (E_RNA) where: Base-Base interactions energy: -1965.171 where: short stacking energy: -839.484 Base-Backbone interact. energy: -5.815 local terms energy: -877.628761 where: bonds (distance) C4'-P energy: -161.925 bonds (distance) P-C4' energy: -160.079 flat angles C4'-P-C4' energy: -192.640 flat angles P-C4'-P energy: -118.711 tors. eta vs tors. theta energy: -244.274 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: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2759.638809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.638809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.638809 (E_RNA) where: Base-Base interactions energy: -1908.083 where: short stacking energy: -794.837 Base-Backbone interact. energy: 0.863 local terms energy: -852.418838 where: bonds (distance) C4'-P energy: -172.039 bonds (distance) P-C4' energy: -158.209 flat angles C4'-P-C4' energy: -175.367 flat angles P-C4'-P energy: -115.015 tors. eta vs tors. theta energy: -231.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2684.663534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.663534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.663534 (E_RNA) where: Base-Base interactions energy: -1883.384 where: short stacking energy: -812.712 Base-Backbone interact. energy: 1.629 local terms energy: -802.908770 where: bonds (distance) C4'-P energy: -148.931 bonds (distance) P-C4' energy: -135.482 flat angles C4'-P-C4' energy: -165.670 flat angles P-C4'-P energy: -115.904 tors. eta vs tors. theta energy: -236.921 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: 4, replica: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2652.927324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.927324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.927324 (E_RNA) where: Base-Base interactions energy: -1820.102 where: short stacking energy: -758.875 Base-Backbone interact. energy: -3.701 local terms energy: -829.124062 where: bonds (distance) C4'-P energy: -145.024 bonds (distance) P-C4' energy: -162.679 flat angles C4'-P-C4' energy: -189.902 flat angles P-C4'-P energy: -101.151 tors. eta vs tors. theta energy: -230.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2299.416554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.416554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.416554 (E_RNA) where: Base-Base interactions energy: -1536.117 where: short stacking energy: -608.553 Base-Backbone interact. energy: -2.033 local terms energy: -761.266740 where: bonds (distance) C4'-P energy: -152.609 bonds (distance) P-C4' energy: -152.112 flat angles C4'-P-C4' energy: -170.452 flat angles P-C4'-P energy: -119.341 tors. eta vs tors. theta energy: -166.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2084.293957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.293957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.293957 (E_RNA) where: Base-Base interactions energy: -1407.468 where: short stacking energy: -622.778 Base-Backbone interact. energy: -5.971 local terms energy: -670.855577 where: bonds (distance) C4'-P energy: -133.970 bonds (distance) P-C4' energy: -153.104 flat angles C4'-P-C4' energy: -132.611 flat angles P-C4'-P energy: -94.684 tors. eta vs tors. theta energy: -156.488 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: 307 Temperature: 1.200000 Total energy: -1646.612573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.612573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.612573 (E_RNA) where: Base-Base interactions energy: -1024.530 where: short stacking energy: -460.410 Base-Backbone interact. energy: -0.917 local terms energy: -621.165482 where: bonds (distance) C4'-P energy: -139.527 bonds (distance) P-C4' energy: -138.186 flat angles C4'-P-C4' energy: -144.466 flat angles P-C4'-P energy: -103.094 tors. eta vs tors. theta energy: -95.892 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: 307 Temperature: 1.250000 Total energy: -1321.768938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.768938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.768938 (E_RNA) where: Base-Base interactions energy: -798.388 where: short stacking energy: -411.297 Base-Backbone interact. energy: 5.542 local terms energy: -528.923244 where: bonds (distance) C4'-P energy: -124.281 bonds (distance) P-C4' energy: -124.316 flat angles C4'-P-C4' energy: -135.908 flat angles P-C4'-P energy: -77.256 tors. eta vs tors. theta energy: -67.162 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: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -938.753173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.753173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.753173 (E_RNA) where: Base-Base interactions energy: -488.464 where: short stacking energy: -274.607 Base-Backbone interact. energy: 3.948 local terms energy: -454.237006 where: bonds (distance) C4'-P energy: -152.293 bonds (distance) P-C4' energy: -100.593 flat angles C4'-P-C4' energy: -116.950 flat angles P-C4'-P energy: -56.983 tors. eta vs tors. theta energy: -27.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -726.730059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.730059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.730059 (E_RNA) where: Base-Base interactions energy: -294.097 where: short stacking energy: -198.213 Base-Backbone interact. energy: -1.587 local terms energy: -431.046059 where: bonds (distance) C4'-P energy: -108.006 bonds (distance) P-C4' energy: -150.313 flat angles C4'-P-C4' energy: -114.734 flat angles P-C4'-P energy: -83.018 tors. eta vs tors. theta energy: 25.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2862.934390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.934390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.934390 (E_RNA) where: Base-Base interactions energy: -1964.013 where: short stacking energy: -827.125 Base-Backbone interact. energy: -4.363 local terms energy: -894.557940 where: bonds (distance) C4'-P energy: -177.934 bonds (distance) P-C4' energy: -161.360 flat angles C4'-P-C4' energy: -182.044 flat angles P-C4'-P energy: -125.965 tors. eta vs tors. theta energy: -247.255 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: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2745.592684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.592684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.592684 (E_RNA) where: Base-Base interactions energy: -1876.375 where: short stacking energy: -820.228 Base-Backbone interact. energy: -0.838 local terms energy: -868.380243 where: bonds (distance) C4'-P energy: -155.259 bonds (distance) P-C4' energy: -167.710 flat angles C4'-P-C4' energy: -185.945 flat angles P-C4'-P energy: -124.801 tors. eta vs tors. theta energy: -234.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2670.954948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.954948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.954948 (E_RNA) where: Base-Base interactions energy: -1833.802 where: short stacking energy: -755.172 Base-Backbone interact. energy: -5.792 local terms energy: -831.360713 where: bonds (distance) C4'-P energy: -158.393 bonds (distance) P-C4' energy: -152.960 flat angles C4'-P-C4' energy: -183.294 flat angles P-C4'-P energy: -121.996 tors. eta vs tors. theta energy: -214.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2606.577952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.577952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.577952 (E_RNA) where: Base-Base interactions energy: -1799.444 where: short stacking energy: -750.537 Base-Backbone interact. energy: -2.950 local terms energy: -804.183936 where: bonds (distance) C4'-P energy: -139.211 bonds (distance) P-C4' energy: -157.524 flat angles C4'-P-C4' energy: -171.587 flat angles P-C4'-P energy: -114.908 tors. eta vs tors. theta energy: -220.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2330.815255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.815255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.815255 (E_RNA) where: Base-Base interactions energy: -1540.949 where: short stacking energy: -667.597 Base-Backbone interact. energy: -1.239 local terms energy: -788.627776 where: bonds (distance) C4'-P energy: -152.292 bonds (distance) P-C4' energy: -157.768 flat angles C4'-P-C4' energy: -169.023 flat angles P-C4'-P energy: -116.887 tors. eta vs tors. theta energy: -192.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2112.020156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.020156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.020156 (E_RNA) where: Base-Base interactions energy: -1402.513 where: short stacking energy: -594.618 Base-Backbone interact. energy: -2.167 local terms energy: -707.340114 where: bonds (distance) C4'-P energy: -154.642 bonds (distance) P-C4' energy: -140.270 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -100.850 tors. eta vs tors. theta energy: -161.061 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: 308 Temperature: 1.200000 Total energy: -1663.925864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.925864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.925864 (E_RNA) where: Base-Base interactions energy: -1038.696 where: short stacking energy: -467.383 Base-Backbone interact. energy: -0.050 local terms energy: -625.179596 where: bonds (distance) C4'-P energy: -132.297 bonds (distance) P-C4' energy: -138.282 flat angles C4'-P-C4' energy: -149.181 flat angles P-C4'-P energy: -112.124 tors. eta vs tors. theta energy: -93.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1341.845477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.845477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.845477 (E_RNA) where: Base-Base interactions energy: -796.534 where: short stacking energy: -363.895 Base-Backbone interact. energy: -1.536 local terms energy: -543.775738 where: bonds (distance) C4'-P energy: -150.115 bonds (distance) P-C4' energy: -133.346 flat angles C4'-P-C4' energy: -137.852 flat angles P-C4'-P energy: -80.506 tors. eta vs tors. theta energy: -41.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -863.832784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.832784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.832784 (E_RNA) where: Base-Base interactions energy: -385.583 where: short stacking energy: -243.619 Base-Backbone interact. energy: -0.380 local terms energy: -477.870148 where: bonds (distance) C4'-P energy: -143.116 bonds (distance) P-C4' energy: -126.749 flat angles C4'-P-C4' energy: -106.853 flat angles P-C4'-P energy: -91.912 tors. eta vs tors. theta energy: -9.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -688.730410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.730410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.730410 (E_RNA) where: Base-Base interactions energy: -266.685 where: short stacking energy: -187.806 Base-Backbone interact. energy: 3.208 local terms energy: -425.254271 where: bonds (distance) C4'-P energy: -127.065 bonds (distance) P-C4' energy: -138.748 flat angles C4'-P-C4' energy: -118.976 flat angles P-C4'-P energy: -61.096 tors. eta vs tors. theta energy: 20.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2835.558328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.558328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.558328 (E_RNA) where: Base-Base interactions energy: -1959.955 where: short stacking energy: -807.615 Base-Backbone interact. energy: -6.757 local terms energy: -868.846477 where: bonds (distance) C4'-P energy: -153.034 bonds (distance) P-C4' energy: -159.815 flat angles C4'-P-C4' energy: -183.266 flat angles P-C4'-P energy: -130.697 tors. eta vs tors. theta energy: -242.034 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: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2727.034696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.034696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.034696 (E_RNA) where: Base-Base interactions energy: -1852.669 where: short stacking energy: -778.094 Base-Backbone interact. energy: -2.778 local terms energy: -871.587919 where: bonds (distance) C4'-P energy: -172.199 bonds (distance) P-C4' energy: -160.718 flat angles C4'-P-C4' energy: -193.575 flat angles P-C4'-P energy: -126.153 tors. eta vs tors. theta energy: -218.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2653.082899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.082899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.082899 (E_RNA) where: Base-Base interactions energy: -1820.339 where: short stacking energy: -778.014 Base-Backbone interact. energy: -1.786 local terms energy: -830.957564 where: bonds (distance) C4'-P energy: -147.351 bonds (distance) P-C4' energy: -171.989 flat angles C4'-P-C4' energy: -178.681 flat angles P-C4'-P energy: -117.039 tors. eta vs tors. theta energy: -215.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2615.824634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.824634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.824634 (E_RNA) where: Base-Base interactions energy: -1818.083 where: short stacking energy: -761.167 Base-Backbone interact. energy: -0.601 local terms energy: -797.140462 where: bonds (distance) C4'-P energy: -153.203 bonds (distance) P-C4' energy: -128.455 flat angles C4'-P-C4' energy: -176.864 flat angles P-C4'-P energy: -114.780 tors. eta vs tors. theta energy: -223.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2356.082119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.082119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.082119 (E_RNA) where: Base-Base interactions energy: -1584.672 where: short stacking energy: -697.709 Base-Backbone interact. energy: 1.015 local terms energy: -772.425929 where: bonds (distance) C4'-P energy: -141.760 bonds (distance) P-C4' energy: -148.891 flat angles C4'-P-C4' energy: -173.873 flat angles P-C4'-P energy: -105.617 tors. eta vs tors. theta energy: -202.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2114.077365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.077365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.077365 (E_RNA) where: Base-Base interactions energy: -1377.073 where: short stacking energy: -632.991 Base-Backbone interact. energy: 0.296 local terms energy: -737.300986 where: bonds (distance) C4'-P energy: -151.517 bonds (distance) P-C4' energy: -146.645 flat angles C4'-P-C4' energy: -154.335 flat angles P-C4'-P energy: -108.791 tors. eta vs tors. theta energy: -176.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1606.779842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.779842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.779842 (E_RNA) where: Base-Base interactions energy: -1015.593 where: short stacking energy: -438.158 Base-Backbone interact. energy: 1.618 local terms energy: -592.804818 where: bonds (distance) C4'-P energy: -125.457 bonds (distance) P-C4' energy: -126.927 flat angles C4'-P-C4' energy: -146.586 flat angles P-C4'-P energy: -101.671 tors. eta vs tors. theta energy: -92.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1299.114530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.114530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.114530 (E_RNA) where: Base-Base interactions energy: -748.950 where: short stacking energy: -382.090 Base-Backbone interact. energy: 1.411 local terms energy: -551.575695 where: bonds (distance) C4'-P energy: -127.207 bonds (distance) P-C4' energy: -149.796 flat angles C4'-P-C4' energy: -134.409 flat angles P-C4'-P energy: -77.993 tors. eta vs tors. theta energy: -62.171 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: 6 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -946.568938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.568938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.568938 (E_RNA) where: Base-Base interactions energy: -507.096 where: short stacking energy: -270.128 Base-Backbone interact. energy: 5.825 local terms energy: -445.298052 where: bonds (distance) C4'-P energy: -152.703 bonds (distance) P-C4' energy: -105.474 flat angles C4'-P-C4' energy: -125.056 flat angles P-C4'-P energy: -50.557 tors. eta vs tors. theta energy: -11.509 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: 10, replica: 9 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -694.060203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.060203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.060203 (E_RNA) where: Base-Base interactions energy: -294.995 where: short stacking energy: -168.015 Base-Backbone interact. energy: 0.911 local terms energy: -399.976240 where: bonds (distance) C4'-P energy: -140.310 bonds (distance) P-C4' energy: -115.464 flat angles C4'-P-C4' energy: -120.472 flat angles P-C4'-P energy: -59.739 tors. eta vs tors. theta energy: 36.009 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: 1, replica: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2808.479720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.479720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.479720 (E_RNA) where: Base-Base interactions energy: -1920.764 where: short stacking energy: -805.869 Base-Backbone interact. energy: 0.842 local terms energy: -888.557891 where: bonds (distance) C4'-P energy: -166.143 bonds (distance) P-C4' energy: -171.256 flat angles C4'-P-C4' energy: -196.772 flat angles P-C4'-P energy: -122.524 tors. eta vs tors. theta energy: -231.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2755.073542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.073542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.073542 (E_RNA) where: Base-Base interactions energy: -1869.010 where: short stacking energy: -816.553 Base-Backbone interact. energy: -1.787 local terms energy: -884.276651 where: bonds (distance) C4'-P energy: -166.675 bonds (distance) P-C4' energy: -159.982 flat angles C4'-P-C4' energy: -191.901 flat angles P-C4'-P energy: -125.946 tors. eta vs tors. theta energy: -239.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2691.883528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.883528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.883528 (E_RNA) where: Base-Base interactions energy: -1875.972 where: short stacking energy: -809.379 Base-Backbone interact. energy: -5.756 local terms energy: -810.155357 where: bonds (distance) C4'-P energy: -151.199 bonds (distance) P-C4' energy: -149.714 flat angles C4'-P-C4' energy: -167.685 flat angles P-C4'-P energy: -115.599 tors. eta vs tors. theta energy: -225.958 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: 310 Temperature: 1.050000 Total energy: -2562.573078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.573078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.573078 (E_RNA) where: Base-Base interactions energy: -1784.025 where: short stacking energy: -759.582 Base-Backbone interact. energy: -4.156 local terms energy: -774.392266 where: bonds (distance) C4'-P energy: -139.734 bonds (distance) P-C4' energy: -142.580 flat angles C4'-P-C4' energy: -152.276 flat angles P-C4'-P energy: -104.018 tors. eta vs tors. theta energy: -235.785 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: 10 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2400.874461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.874461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.874461 (E_RNA) where: Base-Base interactions energy: -1619.823 where: short stacking energy: -716.333 Base-Backbone interact. energy: -3.607 local terms energy: -777.444316 where: bonds (distance) C4'-P energy: -140.773 bonds (distance) P-C4' energy: -151.671 flat angles C4'-P-C4' energy: -169.613 flat angles P-C4'-P energy: -104.871 tors. eta vs tors. theta energy: -210.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2062.774557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.774557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.774557 (E_RNA) where: Base-Base interactions energy: -1329.399 where: short stacking energy: -608.247 Base-Backbone interact. energy: -3.068 local terms energy: -730.307381 where: bonds (distance) C4'-P energy: -140.818 bonds (distance) P-C4' energy: -157.204 flat angles C4'-P-C4' energy: -162.395 flat angles P-C4'-P energy: -105.990 tors. eta vs tors. theta energy: -163.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1721.653125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.653125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.653125 (E_RNA) where: Base-Base interactions energy: -1089.505 where: short stacking energy: -483.023 Base-Backbone interact. energy: 3.920 local terms energy: -636.067611 where: bonds (distance) C4'-P energy: -134.693 bonds (distance) P-C4' energy: -154.387 flat angles C4'-P-C4' energy: -154.703 flat angles P-C4'-P energy: -93.571 tors. eta vs tors. theta energy: -98.713 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: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1295.989614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.989614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.989614 (E_RNA) where: Base-Base interactions energy: -745.804 where: short stacking energy: -344.303 Base-Backbone interact. energy: -4.069 local terms energy: -546.116453 where: bonds (distance) C4'-P energy: -131.215 bonds (distance) P-C4' energy: -142.275 flat angles C4'-P-C4' energy: -138.098 flat angles P-C4'-P energy: -76.762 tors. eta vs tors. theta energy: -57.766 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: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -973.256629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.256629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.256629 (E_RNA) where: Base-Base interactions energy: -508.089 where: short stacking energy: -264.646 Base-Backbone interact. energy: -0.568 local terms energy: -464.598854 where: bonds (distance) C4'-P energy: -129.975 bonds (distance) P-C4' energy: -136.294 flat angles C4'-P-C4' energy: -147.198 flat angles P-C4'-P energy: -51.382 tors. eta vs tors. theta energy: 0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -707.876122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.876122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.876122 (E_RNA) where: Base-Base interactions energy: -311.527 where: short stacking energy: -212.946 Base-Backbone interact. energy: -5.605 local terms energy: -390.743420 where: bonds (distance) C4'-P energy: -118.992 bonds (distance) P-C4' energy: -125.392 flat angles C4'-P-C4' energy: -107.318 flat angles P-C4'-P energy: -74.542 tors. eta vs tors. theta energy: 35.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2817.717390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.717390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.717390 (E_RNA) where: Base-Base interactions energy: -1924.598 where: short stacking energy: -835.110 Base-Backbone interact. energy: -5.296 local terms energy: -887.823645 where: bonds (distance) C4'-P energy: -153.971 bonds (distance) P-C4' energy: -171.366 flat angles C4'-P-C4' energy: -183.266 flat angles P-C4'-P energy: -141.435 tors. eta vs tors. theta energy: -237.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2787.688566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.688566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.688566 (E_RNA) where: Base-Base interactions energy: -1940.432 where: short stacking energy: -805.782 Base-Backbone interact. energy: -1.265 local terms energy: -845.991624 where: bonds (distance) C4'-P energy: -152.723 bonds (distance) P-C4' energy: -158.902 flat angles C4'-P-C4' energy: -184.716 flat angles P-C4'-P energy: -114.088 tors. eta vs tors. theta energy: -235.562 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: 7 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2703.563020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.563020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.563020 (E_RNA) where: Base-Base interactions energy: -1868.590 where: short stacking energy: -805.289 Base-Backbone interact. energy: -3.520 local terms energy: -831.453083 where: bonds (distance) C4'-P energy: -147.183 bonds (distance) P-C4' energy: -153.742 flat angles C4'-P-C4' energy: -182.068 flat angles P-C4'-P energy: -118.341 tors. eta vs tors. theta energy: -230.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2637.329583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.329583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.329583 (E_RNA) where: Base-Base interactions energy: -1835.262 where: short stacking energy: -743.842 Base-Backbone interact. energy: -4.571 local terms energy: -797.497075 where: bonds (distance) C4'-P energy: -153.823 bonds (distance) P-C4' energy: -148.670 flat angles C4'-P-C4' energy: -171.557 flat angles P-C4'-P energy: -104.299 tors. eta vs tors. theta energy: -219.149 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: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2323.428364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.428364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.428364 (E_RNA) where: Base-Base interactions energy: -1591.754 where: short stacking energy: -684.379 Base-Backbone interact. energy: 1.686 local terms energy: -733.360693 where: bonds (distance) C4'-P energy: -157.343 bonds (distance) P-C4' energy: -122.779 flat angles C4'-P-C4' energy: -162.427 flat angles P-C4'-P energy: -100.809 tors. eta vs tors. theta energy: -190.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2049.884735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.884735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.884735 (E_RNA) where: Base-Base interactions energy: -1323.213 where: short stacking energy: -597.409 Base-Backbone interact. energy: -2.812 local terms energy: -723.859685 where: bonds (distance) C4'-P energy: -140.693 bonds (distance) P-C4' energy: -136.228 flat angles C4'-P-C4' energy: -161.772 flat angles P-C4'-P energy: -124.938 tors. eta vs tors. theta energy: -160.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1684.031870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.031870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.031870 (E_RNA) where: Base-Base interactions energy: -1117.311 where: short stacking energy: -458.633 Base-Backbone interact. energy: -2.158 local terms energy: -564.562197 where: bonds (distance) C4'-P energy: -124.156 bonds (distance) P-C4' energy: -145.790 flat angles C4'-P-C4' energy: -121.648 flat angles P-C4'-P energy: -83.093 tors. eta vs tors. theta energy: -89.876 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: 311 Temperature: 1.250000 Total energy: -1331.709365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.709365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.709365 (E_RNA) where: Base-Base interactions energy: -784.425 where: short stacking energy: -375.828 Base-Backbone interact. energy: 6.363 local terms energy: -553.647127 where: bonds (distance) C4'-P energy: -118.920 bonds (distance) P-C4' energy: -147.291 flat angles C4'-P-C4' energy: -144.314 flat angles P-C4'-P energy: -87.244 tors. eta vs tors. theta energy: -55.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -959.654437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.654437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.654437 (E_RNA) where: Base-Base interactions energy: -467.311 where: short stacking energy: -251.697 Base-Backbone interact. energy: -0.356 local terms energy: -491.987595 where: bonds (distance) C4'-P energy: -132.479 bonds (distance) P-C4' energy: -141.986 flat angles C4'-P-C4' energy: -135.478 flat angles P-C4'-P energy: -80.661 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: 10, replica: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -687.255015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.255015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.255015 (E_RNA) where: Base-Base interactions energy: -297.272 where: short stacking energy: -213.330 Base-Backbone interact. energy: 3.552 local terms energy: -393.534945 where: bonds (distance) C4'-P energy: -121.091 bonds (distance) P-C4' energy: -125.270 flat angles C4'-P-C4' energy: -115.776 flat angles P-C4'-P energy: -54.327 tors. eta vs tors. theta energy: 22.929 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: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2842.232439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.232439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.232439 (E_RNA) where: Base-Base interactions energy: -1961.094 where: short stacking energy: -839.876 Base-Backbone interact. energy: -5.079 local terms energy: -876.059766 where: bonds (distance) C4'-P energy: -168.012 bonds (distance) P-C4' energy: -153.452 flat angles C4'-P-C4' energy: -191.592 flat angles P-C4'-P energy: -115.245 tors. eta vs tors. theta energy: -247.758 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: 312 Temperature: 0.950000 Total energy: -2756.487679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.487679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.487679 (E_RNA) where: Base-Base interactions energy: -1898.414 where: short stacking energy: -806.991 Base-Backbone interact. energy: -7.273 local terms energy: -850.799917 where: bonds (distance) C4'-P energy: -150.219 bonds (distance) P-C4' energy: -157.652 flat angles C4'-P-C4' energy: -195.444 flat angles P-C4'-P energy: -113.441 tors. eta vs tors. theta energy: -234.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2678.452755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.452755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.452755 (E_RNA) where: Base-Base interactions energy: -1853.401 where: short stacking energy: -786.543 Base-Backbone interact. energy: -4.382 local terms energy: -820.669896 where: bonds (distance) C4'-P energy: -150.020 bonds (distance) P-C4' energy: -144.313 flat angles C4'-P-C4' energy: -167.959 flat angles P-C4'-P energy: -126.013 tors. eta vs tors. theta energy: -232.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2594.751153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.751153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.751153 (E_RNA) where: Base-Base interactions energy: -1782.637 where: short stacking energy: -744.038 Base-Backbone interact. energy: -3.882 local terms energy: -808.232955 where: bonds (distance) C4'-P energy: -151.229 bonds (distance) P-C4' energy: -153.691 flat angles C4'-P-C4' energy: -177.807 flat angles P-C4'-P energy: -106.547 tors. eta vs tors. theta energy: -218.959 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: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2359.657030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.657030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.657030 (E_RNA) where: Base-Base interactions energy: -1610.912 where: short stacking energy: -701.813 Base-Backbone interact. energy: -2.050 local terms energy: -746.695745 where: bonds (distance) C4'-P energy: -135.421 bonds (distance) P-C4' energy: -145.691 flat angles C4'-P-C4' energy: -171.931 flat angles P-C4'-P energy: -110.202 tors. eta vs tors. theta energy: -183.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2104.487170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.487170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.487170 (E_RNA) where: Base-Base interactions energy: -1370.629 where: short stacking energy: -623.050 Base-Backbone interact. energy: -4.334 local terms energy: -729.524024 where: bonds (distance) C4'-P energy: -148.946 bonds (distance) P-C4' energy: -148.378 flat angles C4'-P-C4' energy: -154.214 flat angles P-C4'-P energy: -108.385 tors. eta vs tors. theta energy: -169.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1661.732339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.732339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.732339 (E_RNA) where: Base-Base interactions energy: -1087.115 where: short stacking energy: -481.962 Base-Backbone interact. energy: -0.872 local terms energy: -573.745504 where: bonds (distance) C4'-P energy: -117.819 bonds (distance) P-C4' energy: -145.320 flat angles C4'-P-C4' energy: -133.111 flat angles P-C4'-P energy: -82.051 tors. eta vs tors. theta energy: -95.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1354.185422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.185422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.185422 (E_RNA) where: Base-Base interactions energy: -829.823 where: short stacking energy: -400.490 Base-Backbone interact. energy: 2.221 local terms energy: -526.583673 where: bonds (distance) C4'-P energy: -125.396 bonds (distance) P-C4' energy: -137.024 flat angles C4'-P-C4' energy: -142.415 flat angles P-C4'-P energy: -59.438 tors. eta vs tors. theta energy: -62.310 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: 6 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -940.326794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.326794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.326794 (E_RNA) where: Base-Base interactions energy: -487.010 where: short stacking energy: -263.685 Base-Backbone interact. energy: -1.219 local terms energy: -452.097985 where: bonds (distance) C4'-P energy: -126.414 bonds (distance) P-C4' energy: -129.769 flat angles C4'-P-C4' energy: -117.890 flat angles P-C4'-P energy: -74.725 tors. eta vs tors. theta energy: -3.300 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: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -711.286617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.286617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.286617 (E_RNA) where: Base-Base interactions energy: -305.509 where: short stacking energy: -201.866 Base-Backbone interact. energy: 6.593 local terms energy: -412.370824 where: bonds (distance) C4'-P energy: -123.169 bonds (distance) P-C4' energy: -151.908 flat angles C4'-P-C4' energy: -107.357 flat angles P-C4'-P energy: -56.431 tors. eta vs tors. theta energy: 26.493 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: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2851.931773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.931773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.931773 (E_RNA) where: Base-Base interactions energy: -1960.603 where: short stacking energy: -838.282 Base-Backbone interact. energy: -3.267 local terms energy: -888.061509 where: bonds (distance) C4'-P energy: -175.429 bonds (distance) P-C4' energy: -149.199 flat angles C4'-P-C4' energy: -188.122 flat angles P-C4'-P energy: -117.034 tors. eta vs tors. theta energy: -258.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2753.005867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.005867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.005867 (E_RNA) where: Base-Base interactions energy: -1901.973 where: short stacking energy: -831.472 Base-Backbone interact. energy: -7.487 local terms energy: -843.545676 where: bonds (distance) C4'-P energy: -143.217 bonds (distance) P-C4' energy: -169.762 flat angles C4'-P-C4' energy: -185.621 flat angles P-C4'-P energy: -103.591 tors. eta vs tors. theta energy: -241.355 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: 313 Temperature: 1.000000 Total energy: -2689.247112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.247112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.247112 (E_RNA) where: Base-Base interactions energy: -1840.523 where: short stacking energy: -770.288 Base-Backbone interact. energy: -0.297 local terms energy: -848.427343 where: bonds (distance) C4'-P energy: -156.581 bonds (distance) P-C4' energy: -167.077 flat angles C4'-P-C4' energy: -185.856 flat angles P-C4'-P energy: -112.957 tors. eta vs tors. theta energy: -225.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2623.227310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.227310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.227310 (E_RNA) where: Base-Base interactions energy: -1813.738 where: short stacking energy: -761.053 Base-Backbone interact. energy: -4.730 local terms energy: -804.759524 where: bonds (distance) C4'-P energy: -151.143 bonds (distance) P-C4' energy: -156.066 flat angles C4'-P-C4' energy: -170.680 flat angles P-C4'-P energy: -112.577 tors. eta vs tors. theta energy: -214.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2420.562084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.562084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.562084 (E_RNA) where: Base-Base interactions energy: -1639.191 where: short stacking energy: -673.320 Base-Backbone interact. energy: -2.703 local terms energy: -778.668176 where: bonds (distance) C4'-P energy: -134.651 bonds (distance) P-C4' energy: -164.725 flat angles C4'-P-C4' energy: -167.845 flat angles P-C4'-P energy: -122.592 tors. eta vs tors. theta energy: -188.855 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: 6, replica: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2018.189016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.189016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.189016 (E_RNA) where: Base-Base interactions energy: -1327.176 where: short stacking energy: -616.428 Base-Backbone interact. energy: 0.629 local terms energy: -691.642090 where: bonds (distance) C4'-P energy: -140.279 bonds (distance) P-C4' energy: -136.592 flat angles C4'-P-C4' energy: -149.140 flat angles P-C4'-P energy: -101.697 tors. eta vs tors. theta energy: -163.934 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: 313 Temperature: 1.200000 Total energy: -1684.691141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.691141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.691141 (E_RNA) where: Base-Base interactions energy: -1093.534 where: short stacking energy: -476.051 Base-Backbone interact. energy: -0.690 local terms energy: -590.467367 where: bonds (distance) C4'-P energy: -127.877 bonds (distance) P-C4' energy: -145.332 flat angles C4'-P-C4' energy: -141.114 flat angles P-C4'-P energy: -84.960 tors. eta vs tors. theta energy: -91.184 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: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1350.970726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.970726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.970726 (E_RNA) where: Base-Base interactions energy: -786.264 where: short stacking energy: -390.809 Base-Backbone interact. energy: -2.410 local terms energy: -562.297058 where: bonds (distance) C4'-P energy: -107.349 bonds (distance) P-C4' energy: -154.614 flat angles C4'-P-C4' energy: -150.057 flat angles P-C4'-P energy: -102.531 tors. eta vs tors. theta energy: -47.745 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: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -949.683256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.683256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.683256 (E_RNA) where: Base-Base interactions energy: -508.255 where: short stacking energy: -272.682 Base-Backbone interact. energy: 1.632 local terms energy: -443.060307 where: bonds (distance) C4'-P energy: -108.782 bonds (distance) P-C4' energy: -160.329 flat angles C4'-P-C4' energy: -103.693 flat angles P-C4'-P energy: -74.494 tors. eta vs tors. theta energy: 4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -698.988555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.988555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.988555 (E_RNA) where: Base-Base interactions energy: -280.930 where: short stacking energy: -181.739 Base-Backbone interact. energy: -3.834 local terms energy: -414.224560 where: bonds (distance) C4'-P energy: -126.640 bonds (distance) P-C4' energy: -134.583 flat angles C4'-P-C4' energy: -114.394 flat angles P-C4'-P energy: -72.022 tors. eta vs tors. theta energy: 33.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2846.069590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.069590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.069590 (E_RNA) where: Base-Base interactions energy: -1925.682 where: short stacking energy: -836.338 Base-Backbone interact. energy: -2.525 local terms energy: -917.863106 where: bonds (distance) C4'-P energy: -166.710 bonds (distance) P-C4' energy: -167.869 flat angles C4'-P-C4' energy: -191.540 flat angles P-C4'-P energy: -139.801 tors. eta vs tors. theta energy: -251.943 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: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2828.429865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.429865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.429865 (E_RNA) where: Base-Base interactions energy: -1954.116 where: short stacking energy: -817.448 Base-Backbone interact. energy: -7.092 local terms energy: -867.222066 where: bonds (distance) C4'-P energy: -150.178 bonds (distance) P-C4' energy: -165.950 flat angles C4'-P-C4' energy: -182.212 flat angles P-C4'-P energy: -125.719 tors. eta vs tors. theta energy: -243.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2684.484027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.484027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.484027 (E_RNA) where: Base-Base interactions energy: -1852.278 where: short stacking energy: -770.813 Base-Backbone interact. energy: 2.507 local terms energy: -834.713211 where: bonds (distance) C4'-P energy: -152.075 bonds (distance) P-C4' energy: -164.685 flat angles C4'-P-C4' energy: -180.450 flat angles P-C4'-P energy: -105.737 tors. eta vs tors. theta energy: -231.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2554.448021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.448021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.448021 (E_RNA) where: Base-Base interactions energy: -1742.426 where: short stacking energy: -741.896 Base-Backbone interact. energy: -6.178 local terms energy: -805.843627 where: bonds (distance) C4'-P energy: -152.037 bonds (distance) P-C4' energy: -136.023 flat angles C4'-P-C4' energy: -183.291 flat angles P-C4'-P energy: -118.085 tors. eta vs tors. theta energy: -216.409 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: 5, replica: 10 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2395.381328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.381328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.381328 (E_RNA) where: Base-Base interactions energy: -1591.894 where: short stacking energy: -688.740 Base-Backbone interact. energy: -1.096 local terms energy: -802.391678 where: bonds (distance) C4'-P energy: -151.887 bonds (distance) P-C4' energy: -151.075 flat angles C4'-P-C4' energy: -176.683 flat angles P-C4'-P energy: -108.618 tors. eta vs tors. theta energy: -214.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1955.225951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.225951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.225951 (E_RNA) where: Base-Base interactions energy: -1286.939 where: short stacking energy: -595.032 Base-Backbone interact. energy: 0.776 local terms energy: -669.063407 where: bonds (distance) C4'-P energy: -136.009 bonds (distance) P-C4' energy: -140.516 flat angles C4'-P-C4' energy: -152.548 flat angles P-C4'-P energy: -96.898 tors. eta vs tors. theta energy: -143.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1709.510536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.510536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.510536 (E_RNA) where: Base-Base interactions energy: -1115.209 where: short stacking energy: -493.025 Base-Backbone interact. energy: 1.069 local terms energy: -595.370810 where: bonds (distance) C4'-P energy: -139.386 bonds (distance) P-C4' energy: -122.532 flat angles C4'-P-C4' energy: -136.260 flat angles P-C4'-P energy: -84.635 tors. eta vs tors. theta energy: -112.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1336.276479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.276479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.276479 (E_RNA) where: Base-Base interactions energy: -792.615 where: short stacking energy: -373.286 Base-Backbone interact. energy: -2.943 local terms energy: -540.718422 where: bonds (distance) C4'-P energy: -123.690 bonds (distance) P-C4' energy: -136.064 flat angles C4'-P-C4' energy: -144.527 flat angles P-C4'-P energy: -82.863 tors. eta vs tors. theta energy: -53.574 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: 6 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1034.290168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.290168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.290168 (E_RNA) where: Base-Base interactions energy: -570.021 where: short stacking energy: -307.080 Base-Backbone interact. energy: 6.485 local terms energy: -470.754606 where: bonds (distance) C4'-P energy: -138.932 bonds (distance) P-C4' energy: -109.563 flat angles C4'-P-C4' energy: -144.478 flat angles P-C4'-P energy: -64.085 tors. eta vs tors. theta energy: -13.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -698.678739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.678739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.678739 (E_RNA) where: Base-Base interactions energy: -340.726 where: short stacking energy: -221.460 Base-Backbone interact. energy: 0.897 local terms energy: -358.849803 where: bonds (distance) C4'-P energy: -132.051 bonds (distance) P-C4' energy: -120.732 flat angles C4'-P-C4' energy: -80.477 flat angles P-C4'-P energy: -49.878 tors. eta vs tors. theta energy: 24.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2824.062167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.062167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.062167 (E_RNA) where: Base-Base interactions energy: -1915.040 where: short stacking energy: -831.803 Base-Backbone interact. energy: -1.429 local terms energy: -907.592522 where: bonds (distance) C4'-P energy: -158.668 bonds (distance) P-C4' energy: -169.512 flat angles C4'-P-C4' energy: -198.567 flat angles P-C4'-P energy: -132.026 tors. eta vs tors. theta energy: -248.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2811.976437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.976437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.976437 (E_RNA) where: Base-Base interactions energy: -1953.546 where: short stacking energy: -812.913 Base-Backbone interact. energy: -3.282 local terms energy: -855.147769 where: bonds (distance) C4'-P energy: -155.820 bonds (distance) P-C4' energy: -171.642 flat angles C4'-P-C4' energy: -181.160 flat angles P-C4'-P energy: -105.579 tors. eta vs tors. theta energy: -240.946 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: 7 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2696.988746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.988746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.988746 (E_RNA) where: Base-Base interactions energy: -1871.053 where: short stacking energy: -803.944 Base-Backbone interact. energy: 1.257 local terms energy: -827.192902 where: bonds (distance) C4'-P energy: -153.935 bonds (distance) P-C4' energy: -134.992 flat angles C4'-P-C4' energy: -198.365 flat angles P-C4'-P energy: -104.462 tors. eta vs tors. theta energy: -235.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2577.501470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.501470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.501470 (E_RNA) where: Base-Base interactions energy: -1768.491 where: short stacking energy: -754.575 Base-Backbone interact. energy: -1.484 local terms energy: -807.526847 where: bonds (distance) C4'-P energy: -136.394 bonds (distance) P-C4' energy: -151.915 flat angles C4'-P-C4' energy: -177.148 flat angles P-C4'-P energy: -123.369 tors. eta vs tors. theta energy: -218.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2297.050714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.050714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.050714 (E_RNA) where: Base-Base interactions energy: -1567.681 where: short stacking energy: -674.018 Base-Backbone interact. energy: 2.272 local terms energy: -731.641351 where: bonds (distance) C4'-P energy: -136.643 bonds (distance) P-C4' energy: -156.877 flat angles C4'-P-C4' energy: -156.833 flat angles P-C4'-P energy: -90.408 tors. eta vs tors. theta energy: -190.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1919.387873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.387873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.387873 (E_RNA) where: Base-Base interactions energy: -1215.544 where: short stacking energy: -553.414 Base-Backbone interact. energy: -6.510 local terms energy: -697.333803 where: bonds (distance) C4'-P energy: -155.272 bonds (distance) P-C4' energy: -153.275 flat angles C4'-P-C4' energy: -151.302 flat angles P-C4'-P energy: -102.025 tors. eta vs tors. theta energy: -135.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1806.139349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.139349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.139349 (E_RNA) where: Base-Base interactions energy: -1143.306 where: short stacking energy: -535.290 Base-Backbone interact. energy: 1.641 local terms energy: -664.475031 where: bonds (distance) C4'-P energy: -137.031 bonds (distance) P-C4' energy: -144.640 flat angles C4'-P-C4' energy: -147.361 flat angles P-C4'-P energy: -101.709 tors. eta vs tors. theta energy: -133.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1365.911285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.911285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.911285 (E_RNA) where: Base-Base interactions energy: -814.352 where: short stacking energy: -404.998 Base-Backbone interact. energy: 1.343 local terms energy: -552.902230 where: bonds (distance) C4'-P energy: -132.492 bonds (distance) P-C4' energy: -159.189 flat angles C4'-P-C4' energy: -134.345 flat angles P-C4'-P energy: -71.260 tors. eta vs tors. theta energy: -55.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -997.261229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.261229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.261229 (E_RNA) where: Base-Base interactions energy: -546.592 where: short stacking energy: -253.721 Base-Backbone interact. energy: -2.031 local terms energy: -448.638450 where: bonds (distance) C4'-P energy: -116.514 bonds (distance) P-C4' energy: -141.129 flat angles C4'-P-C4' energy: -123.351 flat angles P-C4'-P energy: -78.892 tors. eta vs tors. theta energy: 11.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -772.581740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.581740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.581740 (E_RNA) where: Base-Base interactions energy: -357.450 where: short stacking energy: -234.374 Base-Backbone interact. energy: -1.864 local terms energy: -413.267432 where: bonds (distance) C4'-P energy: -120.744 bonds (distance) P-C4' energy: -134.887 flat angles C4'-P-C4' energy: -104.673 flat angles P-C4'-P energy: -68.501 tors. eta vs tors. theta energy: 15.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2880.254805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.254805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.254805 (E_RNA) where: Base-Base interactions energy: -1957.027 where: short stacking energy: -850.602 Base-Backbone interact. energy: -0.221 local terms energy: -923.006883 where: bonds (distance) C4'-P energy: -157.831 bonds (distance) P-C4' energy: -175.277 flat angles C4'-P-C4' energy: -197.525 flat angles P-C4'-P energy: -131.154 tors. eta vs tors. theta energy: -261.219 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: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2810.891289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.891289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.891289 (E_RNA) where: Base-Base interactions energy: -1943.151 where: short stacking energy: -799.181 Base-Backbone interact. energy: -2.306 local terms energy: -865.434397 where: bonds (distance) C4'-P energy: -157.945 bonds (distance) P-C4' energy: -171.330 flat angles C4'-P-C4' energy: -183.440 flat angles P-C4'-P energy: -123.515 tors. eta vs tors. theta energy: -229.204 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: 7 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2728.029836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.029836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.029836 (E_RNA) where: Base-Base interactions energy: -1893.639 where: short stacking energy: -794.008 Base-Backbone interact. energy: -6.544 local terms energy: -827.846434 where: bonds (distance) C4'-P energy: -153.006 bonds (distance) P-C4' energy: -152.525 flat angles C4'-P-C4' energy: -187.249 flat angles P-C4'-P energy: -115.662 tors. eta vs tors. theta energy: -219.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2569.255274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.255274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.255274 (E_RNA) where: Base-Base interactions energy: -1777.988 where: short stacking energy: -774.833 Base-Backbone interact. energy: 3.041 local terms energy: -794.308461 where: bonds (distance) C4'-P energy: -127.728 bonds (distance) P-C4' energy: -152.521 flat angles C4'-P-C4' energy: -178.143 flat angles P-C4'-P energy: -109.173 tors. eta vs tors. theta energy: -226.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2272.530092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.530092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.530092 (E_RNA) where: Base-Base interactions energy: -1501.876 where: short stacking energy: -657.503 Base-Backbone interact. energy: -2.088 local terms energy: -768.565575 where: bonds (distance) C4'-P energy: -135.820 bonds (distance) P-C4' energy: -136.046 flat angles C4'-P-C4' energy: -172.706 flat angles P-C4'-P energy: -134.059 tors. eta vs tors. theta energy: -189.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1895.439265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.439265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.439265 (E_RNA) where: Base-Base interactions energy: -1231.929 where: short stacking energy: -559.490 Base-Backbone interact. energy: 0.086 local terms energy: -663.595457 where: bonds (distance) C4'-P energy: -137.366 bonds (distance) P-C4' energy: -129.945 flat angles C4'-P-C4' energy: -166.008 flat angles P-C4'-P energy: -99.690 tors. eta vs tors. theta energy: -130.586 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: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1788.400247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.400247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.400247 (E_RNA) where: Base-Base interactions energy: -1163.776 where: short stacking energy: -516.910 Base-Backbone interact. energy: -2.512 local terms energy: -622.112844 where: bonds (distance) C4'-P energy: -124.217 bonds (distance) P-C4' energy: -142.705 flat angles C4'-P-C4' energy: -136.547 flat angles P-C4'-P energy: -101.552 tors. eta vs tors. theta energy: -117.093 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: 8, replica: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1341.476858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.476858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.476858 (E_RNA) where: Base-Base interactions energy: -802.431 where: short stacking energy: -390.345 Base-Backbone interact. energy: 3.425 local terms energy: -542.470846 where: bonds (distance) C4'-P energy: -147.790 bonds (distance) P-C4' energy: -140.494 flat angles C4'-P-C4' energy: -133.486 flat angles P-C4'-P energy: -71.131 tors. eta vs tors. theta energy: -49.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -994.601272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.601272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.601272 (E_RNA) where: Base-Base interactions energy: -530.089 where: short stacking energy: -283.027 Base-Backbone interact. energy: 3.280 local terms energy: -467.792292 where: bonds (distance) C4'-P energy: -152.650 bonds (distance) P-C4' energy: -130.132 flat angles C4'-P-C4' energy: -126.324 flat angles P-C4'-P energy: -52.348 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -710.187766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.187766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.187766 (E_RNA) where: Base-Base interactions energy: -320.230 where: short stacking energy: -225.038 Base-Backbone interact. energy: 0.264 local terms energy: -390.221518 where: bonds (distance) C4'-P energy: -112.486 bonds (distance) P-C4' energy: -130.743 flat angles C4'-P-C4' energy: -101.208 flat angles P-C4'-P energy: -54.134 tors. eta vs tors. theta energy: 8.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2864.342229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.342229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.342229 (E_RNA) where: Base-Base interactions energy: -1969.293 where: short stacking energy: -863.099 Base-Backbone interact. energy: -4.182 local terms energy: -890.866689 where: bonds (distance) C4'-P energy: -155.925 bonds (distance) P-C4' energy: -171.702 flat angles C4'-P-C4' energy: -189.412 flat angles P-C4'-P energy: -115.669 tors. eta vs tors. theta energy: -258.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2802.781550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.781550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.781550 (E_RNA) where: Base-Base interactions energy: -1931.859 where: short stacking energy: -815.662 Base-Backbone interact. energy: 2.333 local terms energy: -873.255510 where: bonds (distance) C4'-P energy: -141.603 bonds (distance) P-C4' energy: -168.103 flat angles C4'-P-C4' energy: -187.205 flat angles P-C4'-P energy: -126.734 tors. eta vs tors. theta energy: -249.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2701.542108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.542108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.542108 (E_RNA) where: Base-Base interactions energy: -1859.170 where: short stacking energy: -795.393 Base-Backbone interact. energy: -4.525 local terms energy: -837.847039 where: bonds (distance) C4'-P energy: -159.173 bonds (distance) P-C4' energy: -162.981 flat angles C4'-P-C4' energy: -174.590 flat angles P-C4'-P energy: -113.141 tors. eta vs tors. theta energy: -227.963 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: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2595.354378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.354378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.354378 (E_RNA) where: Base-Base interactions energy: -1779.455 where: short stacking energy: -729.078 Base-Backbone interact. energy: -2.888 local terms energy: -813.011014 where: bonds (distance) C4'-P energy: -149.347 bonds (distance) P-C4' energy: -154.114 flat angles C4'-P-C4' energy: -176.304 flat angles P-C4'-P energy: -118.421 tors. eta vs tors. theta energy: -214.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2347.048356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.048356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.048356 (E_RNA) where: Base-Base interactions energy: -1581.345 where: short stacking energy: -678.500 Base-Backbone interact. energy: 1.309 local terms energy: -767.012002 where: bonds (distance) C4'-P energy: -149.215 bonds (distance) P-C4' energy: -161.280 flat angles C4'-P-C4' energy: -158.297 flat angles P-C4'-P energy: -97.148 tors. eta vs tors. theta energy: -201.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1904.618877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.618877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.618877 (E_RNA) where: Base-Base interactions energy: -1213.806 where: short stacking energy: -551.853 Base-Backbone interact. energy: -1.718 local terms energy: -689.095111 where: bonds (distance) C4'-P energy: -141.287 bonds (distance) P-C4' energy: -139.409 flat angles C4'-P-C4' energy: -152.517 flat angles P-C4'-P energy: -104.776 tors. eta vs tors. theta energy: -151.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1804.467422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.467422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.467422 (E_RNA) where: Base-Base interactions energy: -1208.717 where: short stacking energy: -501.128 Base-Backbone interact. energy: 0.029 local terms energy: -595.779447 where: bonds (distance) C4'-P energy: -129.014 bonds (distance) P-C4' energy: -115.839 flat angles C4'-P-C4' energy: -152.019 flat angles P-C4'-P energy: -92.889 tors. eta vs tors. theta energy: -106.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1393.638573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.638573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.638573 (E_RNA) where: Base-Base interactions energy: -846.584 where: short stacking energy: -397.647 Base-Backbone interact. energy: -3.527 local terms energy: -543.528253 where: bonds (distance) C4'-P energy: -139.278 bonds (distance) P-C4' energy: -139.232 flat angles C4'-P-C4' energy: -116.638 flat angles P-C4'-P energy: -76.863 tors. eta vs tors. theta energy: -71.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -959.060804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.060804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.060804 (E_RNA) where: Base-Base interactions energy: -461.813 where: short stacking energy: -259.541 Base-Backbone interact. energy: -4.355 local terms energy: -492.891961 where: bonds (distance) C4'-P energy: -151.994 bonds (distance) P-C4' energy: -142.299 flat angles C4'-P-C4' energy: -126.957 flat angles P-C4'-P energy: -77.548 tors. eta vs tors. theta energy: 5.906 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: 9 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -735.302706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.302706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.302706 (E_RNA) where: Base-Base interactions energy: -288.915 where: short stacking energy: -172.794 Base-Backbone interact. energy: -3.535 local terms energy: -442.852173 where: bonds (distance) C4'-P energy: -134.984 bonds (distance) P-C4' energy: -129.516 flat angles C4'-P-C4' energy: -119.360 flat angles P-C4'-P energy: -92.776 tors. eta vs tors. theta energy: 33.784 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: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2882.879759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.879759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.879759 (E_RNA) where: Base-Base interactions energy: -1963.593 where: short stacking energy: -848.745 Base-Backbone interact. energy: -6.243 local terms energy: -913.043737 where: bonds (distance) C4'-P energy: -170.497 bonds (distance) P-C4' energy: -173.535 flat angles C4'-P-C4' energy: -183.934 flat angles P-C4'-P energy: -132.800 tors. eta vs tors. theta energy: -252.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2807.809356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.809356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.809356 (E_RNA) where: Base-Base interactions energy: -1959.347 where: short stacking energy: -802.212 Base-Backbone interact. energy: -3.806 local terms energy: -844.656738 where: bonds (distance) C4'-P energy: -163.213 bonds (distance) P-C4' energy: -149.740 flat angles C4'-P-C4' energy: -182.268 flat angles P-C4'-P energy: -113.634 tors. eta vs tors. theta energy: -235.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2694.723680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.723680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.723680 (E_RNA) where: Base-Base interactions energy: -1865.266 where: short stacking energy: -776.456 Base-Backbone interact. energy: -3.389 local terms energy: -826.068846 where: bonds (distance) C4'-P energy: -144.711 bonds (distance) P-C4' energy: -159.008 flat angles C4'-P-C4' energy: -180.446 flat angles P-C4'-P energy: -119.542 tors. eta vs tors. theta energy: -222.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2618.463519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.463519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.463519 (E_RNA) where: Base-Base interactions energy: -1789.752 where: short stacking energy: -721.649 Base-Backbone interact. energy: -1.482 local terms energy: -827.228563 where: bonds (distance) C4'-P energy: -149.801 bonds (distance) P-C4' energy: -154.658 flat angles C4'-P-C4' energy: -182.072 flat angles P-C4'-P energy: -122.374 tors. eta vs tors. theta energy: -218.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2306.201388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.201388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.201388 (E_RNA) where: Base-Base interactions energy: -1550.883 where: short stacking energy: -646.987 Base-Backbone interact. energy: -5.794 local terms energy: -749.523916 where: bonds (distance) C4'-P energy: -162.245 bonds (distance) P-C4' energy: -135.617 flat angles C4'-P-C4' energy: -172.776 flat angles P-C4'-P energy: -100.107 tors. eta vs tors. theta energy: -178.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1896.510193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.510193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.510193 (E_RNA) where: Base-Base interactions energy: -1193.027 where: short stacking energy: -563.272 Base-Backbone interact. energy: 1.690 local terms energy: -705.173329 where: bonds (distance) C4'-P energy: -133.994 bonds (distance) P-C4' energy: -155.135 flat angles C4'-P-C4' energy: -166.713 flat angles P-C4'-P energy: -120.852 tors. eta vs tors. theta energy: -128.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1800.271616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.271616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.271616 (E_RNA) where: Base-Base interactions energy: -1147.502 where: short stacking energy: -493.092 Base-Backbone interact. energy: -0.320 local terms energy: -652.449552 where: bonds (distance) C4'-P energy: -134.174 bonds (distance) P-C4' energy: -157.987 flat angles C4'-P-C4' energy: -153.756 flat angles P-C4'-P energy: -94.392 tors. eta vs tors. theta energy: -112.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1367.434193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.434193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.434193 (E_RNA) where: Base-Base interactions energy: -833.579 where: short stacking energy: -385.027 Base-Backbone interact. energy: -2.084 local terms energy: -531.770309 where: bonds (distance) C4'-P energy: -132.582 bonds (distance) P-C4' energy: -134.834 flat angles C4'-P-C4' energy: -137.871 flat angles P-C4'-P energy: -86.625 tors. eta vs tors. theta energy: -39.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -949.514796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.514796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.514796 (E_RNA) where: Base-Base interactions energy: -495.012 where: short stacking energy: -250.196 Base-Backbone interact. energy: 3.932 local terms energy: -458.435573 where: bonds (distance) C4'-P energy: -144.476 bonds (distance) P-C4' energy: -116.018 flat angles C4'-P-C4' energy: -128.487 flat angles P-C4'-P energy: -69.505 tors. eta vs tors. theta energy: 0.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -713.406103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.406103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.406103 (E_RNA) where: Base-Base interactions energy: -296.092 where: short stacking energy: -191.724 Base-Backbone interact. energy: -0.504 local terms energy: -416.810062 where: bonds (distance) C4'-P energy: -137.144 bonds (distance) P-C4' energy: -125.963 flat angles C4'-P-C4' energy: -128.503 flat angles P-C4'-P energy: -69.752 tors. eta vs tors. theta energy: 44.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2863.504528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.504528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.504528 (E_RNA) where: Base-Base interactions energy: -1957.723 where: short stacking energy: -850.476 Base-Backbone interact. energy: -4.751 local terms energy: -901.030520 where: bonds (distance) C4'-P energy: -162.366 bonds (distance) P-C4' energy: -167.742 flat angles C4'-P-C4' energy: -188.169 flat angles P-C4'-P energy: -130.497 tors. eta vs tors. theta energy: -252.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2791.009586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.009586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.009586 (E_RNA) where: Base-Base interactions energy: -1901.368 where: short stacking energy: -808.501 Base-Backbone interact. energy: -0.019 local terms energy: -889.621981 where: bonds (distance) C4'-P energy: -165.512 bonds (distance) P-C4' energy: -164.830 flat angles C4'-P-C4' energy: -187.351 flat angles P-C4'-P energy: -122.974 tors. eta vs tors. theta energy: -248.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2731.934343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.934343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.934343 (E_RNA) where: Base-Base interactions energy: -1881.776 where: short stacking energy: -802.910 Base-Backbone interact. energy: -1.517 local terms energy: -848.642181 where: bonds (distance) C4'-P energy: -145.987 bonds (distance) P-C4' energy: -166.433 flat angles C4'-P-C4' energy: -185.599 flat angles P-C4'-P energy: -120.500 tors. eta vs tors. theta energy: -230.123 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: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2617.898517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.898517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.898517 (E_RNA) where: Base-Base interactions energy: -1782.657 where: short stacking energy: -734.102 Base-Backbone interact. energy: -4.914 local terms energy: -830.326655 where: bonds (distance) C4'-P energy: -156.136 bonds (distance) P-C4' energy: -161.365 flat angles C4'-P-C4' energy: -174.485 flat angles P-C4'-P energy: -119.292 tors. eta vs tors. theta energy: -219.048 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: 5, replica: 10 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2331.037315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.037315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.037315 (E_RNA) where: Base-Base interactions energy: -1601.962 where: short stacking energy: -686.714 Base-Backbone interact. energy: -2.327 local terms energy: -726.749016 where: bonds (distance) C4'-P energy: -118.305 bonds (distance) P-C4' energy: -143.379 flat angles C4'-P-C4' energy: -169.960 flat angles P-C4'-P energy: -110.119 tors. eta vs tors. theta energy: -184.986 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: 6, replica: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1935.930765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.930765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.930765 (E_RNA) where: Base-Base interactions energy: -1265.587 where: short stacking energy: -555.341 Base-Backbone interact. energy: -2.942 local terms energy: -667.402084 where: bonds (distance) C4'-P energy: -120.025 bonds (distance) P-C4' energy: -128.903 flat angles C4'-P-C4' energy: -175.539 flat angles P-C4'-P energy: -108.320 tors. eta vs tors. theta energy: -134.616 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: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1805.684652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.684652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.684652 (E_RNA) where: Base-Base interactions energy: -1172.546 where: short stacking energy: -535.609 Base-Backbone interact. energy: -0.318 local terms energy: -632.820774 where: bonds (distance) C4'-P energy: -128.544 bonds (distance) P-C4' energy: -129.697 flat angles C4'-P-C4' energy: -144.409 flat angles P-C4'-P energy: -93.319 tors. eta vs tors. theta energy: -136.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1369.759220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.759220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.759220 (E_RNA) where: Base-Base interactions energy: -823.901 where: short stacking energy: -378.091 Base-Backbone interact. energy: 3.376 local terms energy: -549.234249 where: bonds (distance) C4'-P energy: -133.065 bonds (distance) P-C4' energy: -140.599 flat angles C4'-P-C4' energy: -134.622 flat angles P-C4'-P energy: -85.601 tors. eta vs tors. theta energy: -55.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -988.895473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.895473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.895473 (E_RNA) where: Base-Base interactions energy: -533.957 where: short stacking energy: -256.203 Base-Backbone interact. energy: 2.851 local terms energy: -457.789373 where: bonds (distance) C4'-P energy: -135.618 bonds (distance) P-C4' energy: -131.799 flat angles C4'-P-C4' energy: -143.665 flat angles P-C4'-P energy: -57.858 tors. eta vs tors. theta energy: 11.150 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: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -724.479745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.479745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.479745 (E_RNA) where: Base-Base interactions energy: -307.784 where: short stacking energy: -196.997 Base-Backbone interact. energy: 1.285 local terms energy: -417.981000 where: bonds (distance) C4'-P energy: -122.358 bonds (distance) P-C4' energy: -154.065 flat angles C4'-P-C4' energy: -105.762 flat angles P-C4'-P energy: -69.154 tors. eta vs tors. theta energy: 33.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2846.422081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.422081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.422081 (E_RNA) where: Base-Base interactions energy: -1954.165 where: short stacking energy: -839.965 Base-Backbone interact. energy: -5.151 local terms energy: -887.106923 where: bonds (distance) C4'-P energy: -154.078 bonds (distance) P-C4' energy: -161.237 flat angles C4'-P-C4' energy: -187.386 flat angles P-C4'-P energy: -136.100 tors. eta vs tors. theta energy: -248.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2823.651117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.651117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.651117 (E_RNA) where: Base-Base interactions energy: -1930.604 where: short stacking energy: -819.601 Base-Backbone interact. energy: -3.870 local terms energy: -889.176730 where: bonds (distance) C4'-P energy: -167.644 bonds (distance) P-C4' energy: -166.434 flat angles C4'-P-C4' energy: -188.355 flat angles P-C4'-P energy: -119.496 tors. eta vs tors. theta energy: -247.247 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: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2711.207725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.207725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.207725 (E_RNA) where: Base-Base interactions energy: -1886.400 where: short stacking energy: -763.410 Base-Backbone interact. energy: -2.834 local terms energy: -821.973952 where: bonds (distance) C4'-P energy: -152.694 bonds (distance) P-C4' energy: -140.864 flat angles C4'-P-C4' energy: -180.326 flat angles P-C4'-P energy: -116.666 tors. eta vs tors. theta energy: -231.424 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: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2576.374239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.374239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.374239 (E_RNA) where: Base-Base interactions energy: -1739.688 where: short stacking energy: -757.043 Base-Backbone interact. energy: -6.162 local terms energy: -830.523396 where: bonds (distance) C4'-P energy: -158.429 bonds (distance) P-C4' energy: -169.140 flat angles C4'-P-C4' energy: -164.776 flat angles P-C4'-P energy: -117.719 tors. eta vs tors. theta energy: -220.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2354.049116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.049116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.049116 (E_RNA) where: Base-Base interactions energy: -1607.264 where: short stacking energy: -677.535 Base-Backbone interact. energy: 0.145 local terms energy: -746.930154 where: bonds (distance) C4'-P energy: -130.748 bonds (distance) P-C4' energy: -153.698 flat angles C4'-P-C4' energy: -154.115 flat angles P-C4'-P energy: -128.643 tors. eta vs tors. theta energy: -179.727 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: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1948.739887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.739887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.739887 (E_RNA) where: Base-Base interactions energy: -1275.233 where: short stacking energy: -569.176 Base-Backbone interact. energy: 9.442 local terms energy: -682.948966 where: bonds (distance) C4'-P energy: -135.824 bonds (distance) P-C4' energy: -155.649 flat angles C4'-P-C4' energy: -159.003 flat angles P-C4'-P energy: -97.567 tors. eta vs tors. theta energy: -134.905 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: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1826.401564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.401564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.401564 (E_RNA) where: Base-Base interactions energy: -1172.619 where: short stacking energy: -543.824 Base-Backbone interact. energy: -1.022 local terms energy: -652.760815 where: bonds (distance) C4'-P energy: -131.406 bonds (distance) P-C4' energy: -147.452 flat angles C4'-P-C4' energy: -167.025 flat angles P-C4'-P energy: -82.223 tors. eta vs tors. theta energy: -124.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1346.311695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.311695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.311695 (E_RNA) where: Base-Base interactions energy: -826.431 where: short stacking energy: -373.044 Base-Backbone interact. energy: 6.875 local terms energy: -526.755362 where: bonds (distance) C4'-P energy: -139.803 bonds (distance) P-C4' energy: -115.191 flat angles C4'-P-C4' energy: -136.720 flat angles P-C4'-P energy: -80.161 tors. eta vs tors. theta energy: -54.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1011.334633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.334633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.334633 (E_RNA) where: Base-Base interactions energy: -560.519 where: short stacking energy: -285.553 Base-Backbone interact. energy: 5.055 local terms energy: -455.870405 where: bonds (distance) C4'-P energy: -126.534 bonds (distance) P-C4' energy: -137.203 flat angles C4'-P-C4' energy: -112.494 flat angles P-C4'-P energy: -77.212 tors. eta vs tors. theta energy: -2.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -728.421468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.421468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.421468 (E_RNA) where: Base-Base interactions energy: -290.698 where: short stacking energy: -166.072 Base-Backbone interact. energy: -0.042 local terms energy: -437.681185 where: bonds (distance) C4'-P energy: -120.794 bonds (distance) P-C4' energy: -159.209 flat angles C4'-P-C4' energy: -126.744 flat angles P-C4'-P energy: -45.483 tors. eta vs tors. theta energy: 14.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2867.671340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.671340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.671340 (E_RNA) where: Base-Base interactions energy: -1946.399 where: short stacking energy: -826.199 Base-Backbone interact. energy: -7.205 local terms energy: -914.067642 where: bonds (distance) C4'-P energy: -159.040 bonds (distance) P-C4' energy: -180.007 flat angles C4'-P-C4' energy: -197.476 flat angles P-C4'-P energy: -131.246 tors. eta vs tors. theta energy: -246.298 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: 7 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2811.394359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.394359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.394359 (E_RNA) where: Base-Base interactions energy: -1930.825 where: short stacking energy: -839.818 Base-Backbone interact. energy: -2.735 local terms energy: -877.834117 where: bonds (distance) C4'-P energy: -162.925 bonds (distance) P-C4' energy: -151.400 flat angles C4'-P-C4' energy: -189.703 flat angles P-C4'-P energy: -119.533 tors. eta vs tors. theta energy: -254.273 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: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2693.692132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.692132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.692132 (E_RNA) where: Base-Base interactions energy: -1868.653 where: short stacking energy: -762.832 Base-Backbone interact. energy: -7.293 local terms energy: -817.746194 where: bonds (distance) C4'-P energy: -142.526 bonds (distance) P-C4' energy: -161.233 flat angles C4'-P-C4' energy: -181.404 flat angles P-C4'-P energy: -110.680 tors. eta vs tors. theta energy: -221.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2538.836465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.836465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.836465 (E_RNA) where: Base-Base interactions energy: -1773.269 where: short stacking energy: -758.990 Base-Backbone interact. energy: 1.436 local terms energy: -767.003664 where: bonds (distance) C4'-P energy: -159.405 bonds (distance) P-C4' energy: -156.651 flat angles C4'-P-C4' energy: -151.175 flat angles P-C4'-P energy: -90.833 tors. eta vs tors. theta energy: -208.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2311.761261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.761261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.761261 (E_RNA) where: Base-Base interactions energy: -1551.788 where: short stacking energy: -683.062 Base-Backbone interact. energy: -5.063 local terms energy: -754.910528 where: bonds (distance) C4'-P energy: -130.106 bonds (distance) P-C4' energy: -151.121 flat angles C4'-P-C4' energy: -165.647 flat angles P-C4'-P energy: -106.466 tors. eta vs tors. theta energy: -201.571 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: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1920.226065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.226065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.226065 (E_RNA) where: Base-Base interactions energy: -1260.423 where: short stacking energy: -541.934 Base-Backbone interact. energy: -1.308 local terms energy: -658.494789 where: bonds (distance) C4'-P energy: -148.610 bonds (distance) P-C4' energy: -144.707 flat angles C4'-P-C4' energy: -151.633 flat angles P-C4'-P energy: -80.308 tors. eta vs tors. theta energy: -133.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1776.096026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.096026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.096026 (E_RNA) where: Base-Base interactions energy: -1161.511 where: short stacking energy: -513.022 Base-Backbone interact. energy: -1.153 local terms energy: -613.431786 where: bonds (distance) C4'-P energy: -153.610 bonds (distance) P-C4' energy: -125.357 flat angles C4'-P-C4' energy: -145.110 flat angles P-C4'-P energy: -85.994 tors. eta vs tors. theta energy: -103.360 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: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1390.696116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.696116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.696116 (E_RNA) where: Base-Base interactions energy: -879.904 where: short stacking energy: -397.357 Base-Backbone interact. energy: 1.500 local terms energy: -512.292285 where: bonds (distance) C4'-P energy: -124.653 bonds (distance) P-C4' energy: -114.156 flat angles C4'-P-C4' energy: -136.962 flat angles P-C4'-P energy: -78.404 tors. eta vs tors. theta energy: -58.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1014.936905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.936905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.936905 (E_RNA) where: Base-Base interactions energy: -525.208 where: short stacking energy: -261.435 Base-Backbone interact. energy: -3.369 local terms energy: -486.359353 where: bonds (distance) C4'-P energy: -128.680 bonds (distance) P-C4' energy: -130.298 flat angles C4'-P-C4' energy: -135.806 flat angles P-C4'-P energy: -77.085 tors. eta vs tors. theta energy: -14.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -709.267234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.267234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.267234 (E_RNA) where: Base-Base interactions energy: -298.649 where: short stacking energy: -210.306 Base-Backbone interact. energy: 2.513 local terms energy: -413.131026 where: bonds (distance) C4'-P energy: -128.992 bonds (distance) P-C4' energy: -131.710 flat angles C4'-P-C4' energy: -102.835 flat angles P-C4'-P energy: -70.470 tors. eta vs tors. theta energy: 20.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2859.288650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.288650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.288650 (E_RNA) where: Base-Base interactions energy: -1966.810 where: short stacking energy: -825.950 Base-Backbone interact. energy: -4.682 local terms energy: -887.796180 where: bonds (distance) C4'-P energy: -164.398 bonds (distance) P-C4' energy: -164.378 flat angles C4'-P-C4' energy: -193.149 flat angles P-C4'-P energy: -131.393 tors. eta vs tors. theta energy: -234.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2790.771492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.771492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.771492 (E_RNA) where: Base-Base interactions energy: -1901.941 where: short stacking energy: -803.530 Base-Backbone interact. energy: -0.458 local terms energy: -888.371984 where: bonds (distance) C4'-P energy: -169.667 bonds (distance) P-C4' energy: -179.138 flat angles C4'-P-C4' energy: -190.761 flat angles P-C4'-P energy: -110.305 tors. eta vs tors. theta energy: -238.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2702.370756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.370756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.370756 (E_RNA) where: Base-Base interactions energy: -1885.886 where: short stacking energy: -777.757 Base-Backbone interact. energy: -0.091 local terms energy: -816.393558 where: bonds (distance) C4'-P energy: -151.563 bonds (distance) P-C4' energy: -148.176 flat angles C4'-P-C4' energy: -177.754 flat angles P-C4'-P energy: -100.968 tors. eta vs tors. theta energy: -237.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2518.194404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.194404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.194404 (E_RNA) where: Base-Base interactions energy: -1732.844 where: short stacking energy: -748.955 Base-Backbone interact. energy: 1.750 local terms energy: -787.100809 where: bonds (distance) C4'-P energy: -144.371 bonds (distance) P-C4' energy: -135.357 flat angles C4'-P-C4' energy: -166.387 flat angles P-C4'-P energy: -119.905 tors. eta vs tors. theta energy: -221.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2282.026683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.026683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.026683 (E_RNA) where: Base-Base interactions energy: -1555.270 where: short stacking energy: -688.438 Base-Backbone interact. energy: 3.081 local terms energy: -729.837532 where: bonds (distance) C4'-P energy: -137.349 bonds (distance) P-C4' energy: -149.546 flat angles C4'-P-C4' energy: -164.381 flat angles P-C4'-P energy: -109.863 tors. eta vs tors. theta energy: -168.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1956.204204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.204204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.204204 (E_RNA) where: Base-Base interactions energy: -1267.307 where: short stacking energy: -571.502 Base-Backbone interact. energy: -0.062 local terms energy: -688.835083 where: bonds (distance) C4'-P energy: -132.810 bonds (distance) P-C4' energy: -153.868 flat angles C4'-P-C4' energy: -150.691 flat angles P-C4'-P energy: -99.221 tors. eta vs tors. theta energy: -152.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1787.140298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.140298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.140298 (E_RNA) where: Base-Base interactions energy: -1180.899 where: short stacking energy: -514.361 Base-Backbone interact. energy: -2.343 local terms energy: -603.898555 where: bonds (distance) C4'-P energy: -147.341 bonds (distance) P-C4' energy: -123.689 flat angles C4'-P-C4' energy: -154.978 flat angles P-C4'-P energy: -87.205 tors. eta vs tors. theta energy: -90.685 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: 8, replica: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1351.867110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.867110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.867110 (E_RNA) where: Base-Base interactions energy: -794.489 where: short stacking energy: -370.097 Base-Backbone interact. energy: 1.309 local terms energy: -558.687036 where: bonds (distance) C4'-P energy: -143.908 bonds (distance) P-C4' energy: -124.173 flat angles C4'-P-C4' energy: -144.828 flat angles P-C4'-P energy: -78.172 tors. eta vs tors. theta energy: -67.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1013.937736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.937736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.937736 (E_RNA) where: Base-Base interactions energy: -595.155 where: short stacking energy: -262.709 Base-Backbone interact. energy: -2.891 local terms energy: -415.892493 where: bonds (distance) C4'-P energy: -108.696 bonds (distance) P-C4' energy: -150.070 flat angles C4'-P-C4' energy: -99.614 flat angles P-C4'-P energy: -75.301 tors. eta vs tors. theta energy: 17.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -703.291530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.291530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.291530 (E_RNA) where: Base-Base interactions energy: -278.084 where: short stacking energy: -184.998 Base-Backbone interact. energy: 5.193 local terms energy: -430.400800 where: bonds (distance) C4'-P energy: -135.979 bonds (distance) P-C4' energy: -137.131 flat angles C4'-P-C4' energy: -101.495 flat angles P-C4'-P energy: -77.554 tors. eta vs tors. theta energy: 21.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2842.304628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.304628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.304628 (E_RNA) where: Base-Base interactions energy: -1948.551 where: short stacking energy: -838.287 Base-Backbone interact. energy: -1.480 local terms energy: -892.274301 where: bonds (distance) C4'-P energy: -164.153 bonds (distance) P-C4' energy: -162.872 flat angles C4'-P-C4' energy: -186.085 flat angles P-C4'-P energy: -129.432 tors. eta vs tors. theta energy: -249.732 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: 7 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2814.279343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.279343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.279343 (E_RNA) where: Base-Base interactions energy: -1962.299 where: short stacking energy: -825.300 Base-Backbone interact. energy: 6.276 local terms energy: -858.256560 where: bonds (distance) C4'-P energy: -160.509 bonds (distance) P-C4' energy: -163.465 flat angles C4'-P-C4' energy: -181.681 flat angles P-C4'-P energy: -115.270 tors. eta vs tors. theta energy: -237.332 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: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2692.028451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.028451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.028451 (E_RNA) where: Base-Base interactions energy: -1827.548 where: short stacking energy: -751.355 Base-Backbone interact. energy: -3.722 local terms energy: -860.758739 where: bonds (distance) C4'-P energy: -149.897 bonds (distance) P-C4' energy: -169.338 flat angles C4'-P-C4' energy: -177.159 flat angles P-C4'-P energy: -132.630 tors. eta vs tors. theta energy: -231.736 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: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2601.612777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.612777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.612777 (E_RNA) where: Base-Base interactions energy: -1782.831 where: short stacking energy: -765.197 Base-Backbone interact. energy: -4.448 local terms energy: -814.333667 where: bonds (distance) C4'-P energy: -149.554 bonds (distance) P-C4' energy: -160.239 flat angles C4'-P-C4' energy: -165.785 flat angles P-C4'-P energy: -103.275 tors. eta vs tors. theta energy: -235.481 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: 10 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2274.561458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.561458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.561458 (E_RNA) where: Base-Base interactions energy: -1497.613 where: short stacking energy: -631.822 Base-Backbone interact. energy: -1.084 local terms energy: -775.864599 where: bonds (distance) C4'-P energy: -138.479 bonds (distance) P-C4' energy: -162.330 flat angles C4'-P-C4' energy: -183.888 flat angles P-C4'-P energy: -111.082 tors. eta vs tors. theta energy: -180.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1957.621366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.621366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.621366 (E_RNA) where: Base-Base interactions energy: -1277.902 where: short stacking energy: -564.797 Base-Backbone interact. energy: -2.603 local terms energy: -677.117100 where: bonds (distance) C4'-P energy: -126.704 bonds (distance) P-C4' energy: -150.605 flat angles C4'-P-C4' energy: -175.928 flat angles P-C4'-P energy: -88.408 tors. eta vs tors. theta energy: -135.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1794.307105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.307105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.307105 (E_RNA) where: Base-Base interactions energy: -1146.397 where: short stacking energy: -503.723 Base-Backbone interact. energy: 4.180 local terms energy: -652.090579 where: bonds (distance) C4'-P energy: -140.412 bonds (distance) P-C4' energy: -152.422 flat angles C4'-P-C4' energy: -143.695 flat angles P-C4'-P energy: -90.600 tors. eta vs tors. theta energy: -124.962 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: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1360.585765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.585765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.585765 (E_RNA) where: Base-Base interactions energy: -827.452 where: short stacking energy: -393.156 Base-Backbone interact. energy: -1.943 local terms energy: -531.190915 where: bonds (distance) C4'-P energy: -122.109 bonds (distance) P-C4' energy: -131.564 flat angles C4'-P-C4' energy: -137.066 flat angles P-C4'-P energy: -84.595 tors. eta vs tors. theta energy: -55.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1084.757792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.757792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.757792 (E_RNA) where: Base-Base interactions energy: -581.392 where: short stacking energy: -286.040 Base-Backbone interact. energy: 2.550 local terms energy: -505.915117 where: bonds (distance) C4'-P energy: -136.404 bonds (distance) P-C4' energy: -151.031 flat angles C4'-P-C4' energy: -130.064 flat angles P-C4'-P energy: -68.757 tors. eta vs tors. theta energy: -19.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -718.197499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.197499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.197499 (E_RNA) where: Base-Base interactions energy: -307.895 where: short stacking energy: -215.186 Base-Backbone interact. energy: 1.903 local terms energy: -412.205104 where: bonds (distance) C4'-P energy: -129.576 bonds (distance) P-C4' energy: -140.489 flat angles C4'-P-C4' energy: -86.362 flat angles P-C4'-P energy: -72.377 tors. eta vs tors. theta energy: 16.599 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: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2881.855476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.855476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.855476 (E_RNA) where: Base-Base interactions energy: -2004.289 where: short stacking energy: -825.563 Base-Backbone interact. energy: 0.045 local terms energy: -877.611214 where: bonds (distance) C4'-P energy: -153.546 bonds (distance) P-C4' energy: -174.703 flat angles C4'-P-C4' energy: -190.879 flat angles P-C4'-P energy: -119.475 tors. eta vs tors. theta energy: -239.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2810.438411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.438411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.438411 (E_RNA) where: Base-Base interactions energy: -1928.095 where: short stacking energy: -829.234 Base-Backbone interact. energy: 1.508 local terms energy: -883.851714 where: bonds (distance) C4'-P energy: -170.828 bonds (distance) P-C4' energy: -164.252 flat angles C4'-P-C4' energy: -184.346 flat angles P-C4'-P energy: -127.674 tors. eta vs tors. theta energy: -236.752 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: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2665.531992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.531992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.531992 (E_RNA) where: Base-Base interactions energy: -1817.552 where: short stacking energy: -771.959 Base-Backbone interact. energy: -5.432 local terms energy: -842.547588 where: bonds (distance) C4'-P energy: -162.221 bonds (distance) P-C4' energy: -145.471 flat angles C4'-P-C4' energy: -189.725 flat angles P-C4'-P energy: -108.156 tors. eta vs tors. theta energy: -236.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2621.154936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.154936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.154936 (E_RNA) where: Base-Base interactions energy: -1803.520 where: short stacking energy: -759.816 Base-Backbone interact. energy: -0.687 local terms energy: -816.947794 where: bonds (distance) C4'-P energy: -148.181 bonds (distance) P-C4' energy: -139.737 flat angles C4'-P-C4' energy: -177.052 flat angles P-C4'-P energy: -111.568 tors. eta vs tors. theta energy: -240.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2321.157986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.157986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.157986 (E_RNA) where: Base-Base interactions energy: -1544.782 where: short stacking energy: -674.441 Base-Backbone interact. energy: -2.905 local terms energy: -773.470569 where: bonds (distance) C4'-P energy: -155.086 bonds (distance) P-C4' energy: -158.727 flat angles C4'-P-C4' energy: -166.388 flat angles P-C4'-P energy: -107.518 tors. eta vs tors. theta energy: -185.752 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: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1854.884794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.884794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.884794 (E_RNA) where: Base-Base interactions energy: -1202.237 where: short stacking energy: -550.370 Base-Backbone interact. energy: 2.303 local terms energy: -654.950510 where: bonds (distance) C4'-P energy: -139.350 bonds (distance) P-C4' energy: -150.926 flat angles C4'-P-C4' energy: -157.841 flat angles P-C4'-P energy: -86.686 tors. eta vs tors. theta energy: -120.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1823.817067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.817067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.817067 (E_RNA) where: Base-Base interactions energy: -1189.995 where: short stacking energy: -510.871 Base-Backbone interact. energy: -0.561 local terms energy: -633.261236 where: bonds (distance) C4'-P energy: -135.660 bonds (distance) P-C4' energy: -135.452 flat angles C4'-P-C4' energy: -132.317 flat angles P-C4'-P energy: -106.009 tors. eta vs tors. theta energy: -123.824 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: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1327.587328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.587328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.587328 (E_RNA) where: Base-Base interactions energy: -782.850 where: short stacking energy: -386.371 Base-Backbone interact. energy: -0.747 local terms energy: -543.990507 where: bonds (distance) C4'-P energy: -142.787 bonds (distance) P-C4' energy: -143.588 flat angles C4'-P-C4' energy: -119.996 flat angles P-C4'-P energy: -81.259 tors. eta vs tors. theta energy: -56.361 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: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1112.349982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.349982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.349982 (E_RNA) where: Base-Base interactions energy: -624.238 where: short stacking energy: -326.303 Base-Backbone interact. energy: 2.686 local terms energy: -490.797438 where: bonds (distance) C4'-P energy: -121.989 bonds (distance) P-C4' energy: -135.533 flat angles C4'-P-C4' energy: -116.192 flat angles P-C4'-P energy: -71.756 tors. eta vs tors. theta energy: -45.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -699.753932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.753932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.753932 (E_RNA) where: Base-Base interactions energy: -272.895 where: short stacking energy: -219.201 Base-Backbone interact. energy: 5.030 local terms energy: -431.888904 where: bonds (distance) C4'-P energy: -121.910 bonds (distance) P-C4' energy: -144.353 flat angles C4'-P-C4' energy: -120.522 flat angles P-C4'-P energy: -49.289 tors. eta vs tors. theta energy: 4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2892.965713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.965713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.965713 (E_RNA) where: Base-Base interactions energy: -1994.585 where: short stacking energy: -834.211 Base-Backbone interact. energy: -1.664 local terms energy: -896.716784 where: bonds (distance) C4'-P energy: -168.325 bonds (distance) P-C4' energy: -167.295 flat angles C4'-P-C4' energy: -194.588 flat angles P-C4'-P energy: -116.020 tors. eta vs tors. theta energy: -250.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2807.190398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.190398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.190398 (E_RNA) where: Base-Base interactions energy: -1928.838 where: short stacking energy: -810.914 Base-Backbone interact. energy: -2.901 local terms energy: -875.451961 where: bonds (distance) C4'-P energy: -149.994 bonds (distance) P-C4' energy: -161.747 flat angles C4'-P-C4' energy: -184.245 flat angles P-C4'-P energy: -135.480 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: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2696.758421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.758421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.758421 (E_RNA) where: Base-Base interactions energy: -1800.991 where: short stacking energy: -766.284 Base-Backbone interact. energy: -7.767 local terms energy: -888.000440 where: bonds (distance) C4'-P energy: -155.962 bonds (distance) P-C4' energy: -168.618 flat angles C4'-P-C4' energy: -181.327 flat angles P-C4'-P energy: -127.128 tors. eta vs tors. theta energy: -254.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2621.165372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.165372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.165372 (E_RNA) where: Base-Base interactions energy: -1782.829 where: short stacking energy: -748.436 Base-Backbone interact. energy: 0.721 local terms energy: -839.056869 where: bonds (distance) C4'-P energy: -152.140 bonds (distance) P-C4' energy: -157.436 flat angles C4'-P-C4' energy: -176.995 flat angles P-C4'-P energy: -114.849 tors. eta vs tors. theta energy: -237.637 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: 10 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2330.381538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.381538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.381538 (E_RNA) where: Base-Base interactions energy: -1567.462 where: short stacking energy: -679.546 Base-Backbone interact. energy: -1.628 local terms energy: -761.291876 where: bonds (distance) C4'-P energy: -153.411 bonds (distance) P-C4' energy: -149.877 flat angles C4'-P-C4' energy: -167.639 flat angles P-C4'-P energy: -98.157 tors. eta vs tors. theta energy: -192.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1899.859290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.859290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.859290 (E_RNA) where: Base-Base interactions energy: -1251.588 where: short stacking energy: -541.161 Base-Backbone interact. energy: -2.483 local terms energy: -645.788091 where: bonds (distance) C4'-P energy: -147.340 bonds (distance) P-C4' energy: -135.909 flat angles C4'-P-C4' energy: -157.443 flat angles P-C4'-P energy: -76.638 tors. eta vs tors. theta energy: -128.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1748.078169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.078169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.078169 (E_RNA) where: Base-Base interactions energy: -1168.200 where: short stacking energy: -510.340 Base-Backbone interact. energy: -0.672 local terms energy: -579.205687 where: bonds (distance) C4'-P energy: -131.580 bonds (distance) P-C4' energy: -124.833 flat angles C4'-P-C4' energy: -140.070 flat angles P-C4'-P energy: -77.667 tors. eta vs tors. theta energy: -105.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1324.497977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.497977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.497977 (E_RNA) where: Base-Base interactions energy: -819.611 where: short stacking energy: -368.445 Base-Backbone interact. energy: 4.913 local terms energy: -509.799384 where: bonds (distance) C4'-P energy: -145.298 bonds (distance) P-C4' energy: -128.475 flat angles C4'-P-C4' energy: -125.792 flat angles P-C4'-P energy: -69.306 tors. eta vs tors. theta energy: -40.928 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: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1019.724659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.724659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.724659 (E_RNA) where: Base-Base interactions energy: -563.397 where: short stacking energy: -279.956 Base-Backbone interact. energy: 2.111 local terms energy: -458.438586 where: bonds (distance) C4'-P energy: -136.542 bonds (distance) P-C4' energy: -145.796 flat angles C4'-P-C4' energy: -113.310 flat angles P-C4'-P energy: -57.940 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -706.959202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.959202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.959202 (E_RNA) where: Base-Base interactions energy: -313.798 where: short stacking energy: -217.135 Base-Backbone interact. energy: 0.807 local terms energy: -393.968069 where: bonds (distance) C4'-P energy: -123.782 bonds (distance) P-C4' energy: -121.663 flat angles C4'-P-C4' energy: -98.634 flat angles P-C4'-P energy: -75.099 tors. eta vs tors. theta energy: 25.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2902.404707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.404707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.404707 (E_RNA) where: Base-Base interactions energy: -1990.250 where: short stacking energy: -829.002 Base-Backbone interact. energy: -5.460 local terms energy: -906.694975 where: bonds (distance) C4'-P energy: -160.770 bonds (distance) P-C4' energy: -178.772 flat angles C4'-P-C4' energy: -190.198 flat angles P-C4'-P energy: -131.002 tors. eta vs tors. theta energy: -245.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2799.938788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.938788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.938788 (E_RNA) where: Base-Base interactions energy: -1925.663 where: short stacking energy: -833.520 Base-Backbone interact. energy: -2.053 local terms energy: -872.222939 where: bonds (distance) C4'-P energy: -164.341 bonds (distance) P-C4' energy: -143.975 flat angles C4'-P-C4' energy: -187.897 flat angles P-C4'-P energy: -130.854 tors. eta vs tors. theta energy: -245.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2712.766002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.766002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.766002 (E_RNA) where: Base-Base interactions energy: -1832.768 where: short stacking energy: -777.508 Base-Backbone interact. energy: -4.783 local terms energy: -875.215425 where: bonds (distance) C4'-P energy: -152.764 bonds (distance) P-C4' energy: -157.213 flat angles C4'-P-C4' energy: -197.779 flat angles P-C4'-P energy: -128.877 tors. eta vs tors. theta energy: -238.582 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: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2579.263746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.263746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.263746 (E_RNA) where: Base-Base interactions energy: -1755.614 where: short stacking energy: -753.989 Base-Backbone interact. energy: -3.339 local terms energy: -820.311045 where: bonds (distance) C4'-P energy: -141.876 bonds (distance) P-C4' energy: -150.247 flat angles C4'-P-C4' energy: -177.868 flat angles P-C4'-P energy: -119.283 tors. eta vs tors. theta energy: -231.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2322.887942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.887942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.887942 (E_RNA) where: Base-Base interactions energy: -1555.095 where: short stacking energy: -661.240 Base-Backbone interact. energy: -1.804 local terms energy: -765.988109 where: bonds (distance) C4'-P energy: -143.221 bonds (distance) P-C4' energy: -154.624 flat angles C4'-P-C4' energy: -165.694 flat angles P-C4'-P energy: -115.573 tors. eta vs tors. theta energy: -186.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1949.550708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.550708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.550708 (E_RNA) where: Base-Base interactions energy: -1262.288 where: short stacking energy: -555.837 Base-Backbone interact. energy: -3.148 local terms energy: -684.115285 where: bonds (distance) C4'-P energy: -144.198 bonds (distance) P-C4' energy: -146.864 flat angles C4'-P-C4' energy: -156.915 flat angles P-C4'-P energy: -106.084 tors. eta vs tors. theta energy: -130.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1810.199718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.199718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.199718 (E_RNA) where: Base-Base interactions energy: -1178.512 where: short stacking energy: -486.301 Base-Backbone interact. energy: -3.838 local terms energy: -627.849059 where: bonds (distance) C4'-P energy: -142.530 bonds (distance) P-C4' energy: -156.198 flat angles C4'-P-C4' energy: -143.033 flat angles P-C4'-P energy: -93.286 tors. eta vs tors. theta energy: -92.803 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: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1411.489556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.489556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.489556 (E_RNA) where: Base-Base interactions energy: -851.298 where: short stacking energy: -393.971 Base-Backbone interact. energy: 1.599 local terms energy: -561.790358 where: bonds (distance) C4'-P energy: -135.350 bonds (distance) P-C4' energy: -152.882 flat angles C4'-P-C4' energy: -132.648 flat angles P-C4'-P energy: -76.268 tors. eta vs tors. theta energy: -64.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -985.874946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.874946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.874946 (E_RNA) where: Base-Base interactions energy: -536.097 where: short stacking energy: -269.925 Base-Backbone interact. energy: -1.887 local terms energy: -447.890514 where: bonds (distance) C4'-P energy: -124.896 bonds (distance) P-C4' energy: -138.873 flat angles C4'-P-C4' energy: -106.629 flat angles P-C4'-P energy: -71.732 tors. eta vs tors. theta energy: -5.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -720.735721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.735721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.735721 (E_RNA) where: Base-Base interactions energy: -334.491 where: short stacking energy: -207.175 Base-Backbone interact. energy: 3.682 local terms energy: -389.926287 where: bonds (distance) C4'-P energy: -124.801 bonds (distance) P-C4' energy: -138.162 flat angles C4'-P-C4' energy: -101.856 flat angles P-C4'-P energy: -40.945 tors. eta vs tors. theta energy: 15.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2921.741135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.741135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.741135 (E_RNA) where: Base-Base interactions energy: -2039.883 where: short stacking energy: -843.886 Base-Backbone interact. energy: -2.375 local terms energy: -879.483181 where: bonds (distance) C4'-P energy: -163.575 bonds (distance) P-C4' energy: -170.418 flat angles C4'-P-C4' energy: -190.677 flat angles P-C4'-P energy: -108.228 tors. eta vs tors. theta energy: -246.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2787.993582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.993582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.993582 (E_RNA) where: Base-Base interactions energy: -1909.282 where: short stacking energy: -832.482 Base-Backbone interact. energy: -2.696 local terms energy: -876.015614 where: bonds (distance) C4'-P energy: -154.333 bonds (distance) P-C4' energy: -164.067 flat angles C4'-P-C4' energy: -184.181 flat angles P-C4'-P energy: -123.442 tors. eta vs tors. theta energy: -249.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2693.769832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.769832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.769832 (E_RNA) where: Base-Base interactions energy: -1872.888 where: short stacking energy: -776.181 Base-Backbone interact. energy: -3.971 local terms energy: -816.910166 where: bonds (distance) C4'-P energy: -130.308 bonds (distance) P-C4' energy: -152.632 flat angles C4'-P-C4' energy: -182.128 flat angles P-C4'-P energy: -110.866 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: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2630.420804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.420804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.420804 (E_RNA) where: Base-Base interactions energy: -1823.018 where: short stacking energy: -761.084 Base-Backbone interact. energy: -4.041 local terms energy: -803.361173 where: bonds (distance) C4'-P energy: -133.000 bonds (distance) P-C4' energy: -150.390 flat angles C4'-P-C4' energy: -169.203 flat angles P-C4'-P energy: -126.807 tors. eta vs tors. theta energy: -223.961 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: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2319.195116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.195116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.195116 (E_RNA) where: Base-Base interactions energy: -1581.528 where: short stacking energy: -707.144 Base-Backbone interact. energy: 2.725 local terms energy: -740.392267 where: bonds (distance) C4'-P energy: -141.372 bonds (distance) P-C4' energy: -140.713 flat angles C4'-P-C4' energy: -166.045 flat angles P-C4'-P energy: -88.555 tors. eta vs tors. theta energy: -203.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1934.836232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.836232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.836232 (E_RNA) where: Base-Base interactions energy: -1265.177 where: short stacking energy: -538.351 Base-Backbone interact. energy: -3.457 local terms energy: -666.202690 where: bonds (distance) C4'-P energy: -151.395 bonds (distance) P-C4' energy: -133.118 flat angles C4'-P-C4' energy: -158.028 flat angles P-C4'-P energy: -96.114 tors. eta vs tors. theta energy: -127.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1885.195956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.195956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.195956 (E_RNA) where: Base-Base interactions energy: -1263.446 where: short stacking energy: -534.788 Base-Backbone interact. energy: 5.092 local terms energy: -626.842052 where: bonds (distance) C4'-P energy: -132.116 bonds (distance) P-C4' energy: -115.272 flat angles C4'-P-C4' energy: -146.586 flat angles P-C4'-P energy: -101.699 tors. eta vs tors. theta energy: -131.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1378.947935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.947935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.947935 (E_RNA) where: Base-Base interactions energy: -821.612 where: short stacking energy: -383.187 Base-Backbone interact. energy: -0.010 local terms energy: -557.325188 where: bonds (distance) C4'-P energy: -143.259 bonds (distance) P-C4' energy: -145.165 flat angles C4'-P-C4' energy: -131.014 flat angles P-C4'-P energy: -82.849 tors. eta vs tors. theta energy: -55.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1006.465215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.465215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.465215 (E_RNA) where: Base-Base interactions energy: -520.395 where: short stacking energy: -303.277 Base-Backbone interact. energy: 0.117 local terms energy: -486.188070 where: bonds (distance) C4'-P energy: -137.326 bonds (distance) P-C4' energy: -121.576 flat angles C4'-P-C4' energy: -124.894 flat angles P-C4'-P energy: -85.073 tors. eta vs tors. theta energy: -17.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -800.169953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.169953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.169953 (E_RNA) where: Base-Base interactions energy: -372.251 where: short stacking energy: -227.815 Base-Backbone interact. energy: 0.702 local terms energy: -428.620766 where: bonds (distance) C4'-P energy: -126.637 bonds (distance) P-C4' energy: -150.132 flat angles C4'-P-C4' energy: -118.943 flat angles P-C4'-P energy: -43.410 tors. eta vs tors. theta energy: 10.500 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: 7 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2878.665315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.665315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.665315 (E_RNA) where: Base-Base interactions energy: -1995.222 where: short stacking energy: -838.129 Base-Backbone interact. energy: -1.962 local terms energy: -881.481811 where: bonds (distance) C4'-P energy: -162.940 bonds (distance) P-C4' energy: -169.800 flat angles C4'-P-C4' energy: -178.129 flat angles P-C4'-P energy: -126.227 tors. eta vs tors. theta energy: -244.385 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: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2794.167742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.167742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.167742 (E_RNA) where: Base-Base interactions energy: -1898.911 where: short stacking energy: -825.185 Base-Backbone interact. energy: -1.086 local terms energy: -894.170820 where: bonds (distance) C4'-P energy: -163.802 bonds (distance) P-C4' energy: -151.753 flat angles C4'-P-C4' energy: -197.175 flat angles P-C4'-P energy: -132.298 tors. eta vs tors. theta energy: -249.143 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: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2719.420014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.420014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.420014 (E_RNA) where: Base-Base interactions energy: -1861.854 where: short stacking energy: -767.509 Base-Backbone interact. energy: -9.329 local terms energy: -848.236377 where: bonds (distance) C4'-P energy: -137.134 bonds (distance) P-C4' energy: -156.873 flat angles C4'-P-C4' energy: -195.918 flat angles P-C4'-P energy: -139.648 tors. eta vs tors. theta energy: -218.663 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: 328 Temperature: 1.050000 Total energy: -2605.118247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.118247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.118247 (E_RNA) where: Base-Base interactions energy: -1778.379 where: short stacking energy: -739.495 Base-Backbone interact. energy: -3.947 local terms energy: -822.792647 where: bonds (distance) C4'-P energy: -161.459 bonds (distance) P-C4' energy: -152.498 flat angles C4'-P-C4' energy: -179.673 flat angles P-C4'-P energy: -107.809 tors. eta vs tors. theta energy: -221.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2354.993294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.993294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.993294 (E_RNA) where: Base-Base interactions energy: -1597.421 where: short stacking energy: -694.966 Base-Backbone interact. energy: -3.179 local terms energy: -754.393402 where: bonds (distance) C4'-P energy: -144.222 bonds (distance) P-C4' energy: -145.891 flat angles C4'-P-C4' energy: -170.572 flat angles P-C4'-P energy: -96.743 tors. eta vs tors. theta energy: -196.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1941.283766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.283766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.283766 (E_RNA) where: Base-Base interactions energy: -1242.391 where: short stacking energy: -557.167 Base-Backbone interact. energy: 1.748 local terms energy: -700.640663 where: bonds (distance) C4'-P energy: -148.859 bonds (distance) P-C4' energy: -138.260 flat angles C4'-P-C4' energy: -165.201 flat angles P-C4'-P energy: -107.818 tors. eta vs tors. theta energy: -140.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1925.742119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.742119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.742119 (E_RNA) where: Base-Base interactions energy: -1277.833 where: short stacking energy: -531.562 Base-Backbone interact. energy: -3.348 local terms energy: -644.560822 where: bonds (distance) C4'-P energy: -130.598 bonds (distance) P-C4' energy: -157.166 flat angles C4'-P-C4' energy: -148.006 flat angles P-C4'-P energy: -90.500 tors. eta vs tors. theta energy: -118.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1420.224206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.224206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.224206 (E_RNA) where: Base-Base interactions energy: -841.436 where: short stacking energy: -401.225 Base-Backbone interact. energy: 5.057 local terms energy: -583.845301 where: bonds (distance) C4'-P energy: -142.495 bonds (distance) P-C4' energy: -148.284 flat angles C4'-P-C4' energy: -135.894 flat angles P-C4'-P energy: -89.054 tors. eta vs tors. theta energy: -68.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -810.184393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.184393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.184393 (E_RNA) where: Base-Base interactions energy: -368.990 where: short stacking energy: -241.363 Base-Backbone interact. energy: 6.204 local terms energy: -447.398799 where: bonds (distance) C4'-P energy: -130.131 bonds (distance) P-C4' energy: -139.944 flat angles C4'-P-C4' energy: -114.580 flat angles P-C4'-P energy: -69.951 tors. eta vs tors. theta energy: 7.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -884.796490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.796490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.796490 (E_RNA) where: Base-Base interactions energy: -445.459 where: short stacking energy: -248.232 Base-Backbone interact. energy: -2.030 local terms energy: -437.307717 where: bonds (distance) C4'-P energy: -130.656 bonds (distance) P-C4' energy: -118.996 flat angles C4'-P-C4' energy: -137.776 flat angles P-C4'-P energy: -50.301 tors. eta vs tors. theta energy: 0.421 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: 7 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2891.096171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.096171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.096171 (E_RNA) where: Base-Base interactions energy: -1980.741 where: short stacking energy: -827.081 Base-Backbone interact. energy: -1.455 local terms energy: -908.899785 where: bonds (distance) C4'-P energy: -164.594 bonds (distance) P-C4' energy: -166.196 flat angles C4'-P-C4' energy: -191.477 flat angles P-C4'-P energy: -141.464 tors. eta vs tors. theta energy: -245.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2778.484290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.484290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.484290 (E_RNA) where: Base-Base interactions energy: -1901.386 where: short stacking energy: -815.942 Base-Backbone interact. energy: -3.042 local terms energy: -874.056443 where: bonds (distance) C4'-P energy: -161.016 bonds (distance) P-C4' energy: -159.492 flat angles C4'-P-C4' energy: -178.951 flat angles P-C4'-P energy: -127.708 tors. eta vs tors. theta energy: -246.891 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: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2696.938010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.938010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.938010 (E_RNA) where: Base-Base interactions energy: -1873.608 where: short stacking energy: -765.822 Base-Backbone interact. energy: -5.052 local terms energy: -818.277899 where: bonds (distance) C4'-P energy: -149.983 bonds (distance) P-C4' energy: -169.189 flat angles C4'-P-C4' energy: -165.355 flat angles P-C4'-P energy: -104.609 tors. eta vs tors. theta energy: -229.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2609.692638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.692638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.692638 (E_RNA) where: Base-Base interactions energy: -1785.776 where: short stacking energy: -754.859 Base-Backbone interact. energy: -2.259 local terms energy: -821.657239 where: bonds (distance) C4'-P energy: -158.763 bonds (distance) P-C4' energy: -150.049 flat angles C4'-P-C4' energy: -181.510 flat angles P-C4'-P energy: -117.236 tors. eta vs tors. theta energy: -214.100 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: 10 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2358.695344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.695344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.695344 (E_RNA) where: Base-Base interactions energy: -1598.646 where: short stacking energy: -672.695 Base-Backbone interact. energy: -0.745 local terms energy: -759.305015 where: bonds (distance) C4'-P energy: -151.434 bonds (distance) P-C4' energy: -149.079 flat angles C4'-P-C4' energy: -165.768 flat angles P-C4'-P energy: -92.806 tors. eta vs tors. theta energy: -200.218 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: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2026.096038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.096038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.096038 (E_RNA) where: Base-Base interactions energy: -1363.211 where: short stacking energy: -578.735 Base-Backbone interact. energy: -0.436 local terms energy: -662.449722 where: bonds (distance) C4'-P energy: -118.846 bonds (distance) P-C4' energy: -154.170 flat angles C4'-P-C4' energy: -158.053 flat angles P-C4'-P energy: -85.479 tors. eta vs tors. theta energy: -145.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1751.978761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.978761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.978761 (E_RNA) where: Base-Base interactions energy: -1151.496 where: short stacking energy: -480.798 Base-Backbone interact. energy: -1.249 local terms energy: -599.233429 where: bonds (distance) C4'-P energy: -133.824 bonds (distance) P-C4' energy: -152.786 flat angles C4'-P-C4' energy: -144.242 flat angles P-C4'-P energy: -75.177 tors. eta vs tors. theta energy: -93.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1371.206679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.206679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.206679 (E_RNA) where: Base-Base interactions energy: -829.052 where: short stacking energy: -367.943 Base-Backbone interact. energy: 1.164 local terms energy: -543.319023 where: bonds (distance) C4'-P energy: -147.194 bonds (distance) P-C4' energy: -130.458 flat angles C4'-P-C4' energy: -154.891 flat angles P-C4'-P energy: -46.553 tors. eta vs tors. theta energy: -64.223 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: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -835.156957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.156957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.156957 (E_RNA) where: Base-Base interactions energy: -382.313 where: short stacking energy: -219.213 Base-Backbone interact. energy: 2.044 local terms energy: -454.888494 where: bonds (distance) C4'-P energy: -140.116 bonds (distance) P-C4' energy: -150.224 flat angles C4'-P-C4' energy: -101.340 flat angles P-C4'-P energy: -80.051 tors. eta vs tors. theta energy: 16.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -775.147737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.147737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.147737 (E_RNA) where: Base-Base interactions energy: -343.388 where: short stacking energy: -202.188 Base-Backbone interact. energy: 5.692 local terms energy: -437.451415 where: bonds (distance) C4'-P energy: -141.406 bonds (distance) P-C4' energy: -138.314 flat angles C4'-P-C4' energy: -93.270 flat angles P-C4'-P energy: -71.869 tors. eta vs tors. theta energy: 7.408 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: 1, replica: 7 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2863.404603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.404603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.404603 (E_RNA) where: Base-Base interactions energy: -1982.509 where: short stacking energy: -822.705 Base-Backbone interact. energy: -0.741 local terms energy: -880.154347 where: bonds (distance) C4'-P energy: -163.435 bonds (distance) P-C4' energy: -180.672 flat angles C4'-P-C4' energy: -180.369 flat angles P-C4'-P energy: -113.346 tors. eta vs tors. theta energy: -242.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2810.393090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.393090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.393090 (E_RNA) where: Base-Base interactions energy: -1908.462 where: short stacking energy: -805.036 Base-Backbone interact. energy: -5.413 local terms energy: -896.517844 where: bonds (distance) C4'-P energy: -170.955 bonds (distance) P-C4' energy: -156.938 flat angles C4'-P-C4' energy: -199.054 flat angles P-C4'-P energy: -131.080 tors. eta vs tors. theta energy: -238.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2717.543169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.543169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.543169 (E_RNA) where: Base-Base interactions energy: -1842.611 where: short stacking energy: -778.405 Base-Backbone interact. energy: -2.947 local terms energy: -871.984943 where: bonds (distance) C4'-P energy: -149.683 bonds (distance) P-C4' energy: -160.581 flat angles C4'-P-C4' energy: -195.215 flat angles P-C4'-P energy: -123.288 tors. eta vs tors. theta energy: -243.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2583.908360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.908360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.908360 (E_RNA) where: Base-Base interactions energy: -1779.307 where: short stacking energy: -751.115 Base-Backbone interact. energy: -2.104 local terms energy: -802.496812 where: bonds (distance) C4'-P energy: -141.654 bonds (distance) P-C4' energy: -144.455 flat angles C4'-P-C4' energy: -164.218 flat angles P-C4'-P energy: -117.877 tors. eta vs tors. theta energy: -234.292 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: 10 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2352.652902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.652902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.652902 (E_RNA) where: Base-Base interactions energy: -1599.203 where: short stacking energy: -693.623 Base-Backbone interact. energy: -1.503 local terms energy: -751.946261 where: bonds (distance) C4'-P energy: -146.063 bonds (distance) P-C4' energy: -144.866 flat angles C4'-P-C4' energy: -170.626 flat angles P-C4'-P energy: -111.160 tors. eta vs tors. theta energy: -179.231 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: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2046.654592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.654592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.654592 (E_RNA) where: Base-Base interactions energy: -1367.079 where: short stacking energy: -599.596 Base-Backbone interact. energy: -2.607 local terms energy: -676.968427 where: bonds (distance) C4'-P energy: -126.125 bonds (distance) P-C4' energy: -152.616 flat angles C4'-P-C4' energy: -149.795 flat angles P-C4'-P energy: -98.229 tors. eta vs tors. theta energy: -150.203 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: 330 Temperature: 1.200000 Total energy: -1773.491401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.491401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.491401 (E_RNA) where: Base-Base interactions energy: -1144.924 where: short stacking energy: -499.424 Base-Backbone interact. energy: -3.569 local terms energy: -624.998272 where: bonds (distance) C4'-P energy: -134.383 bonds (distance) P-C4' energy: -136.499 flat angles C4'-P-C4' energy: -153.205 flat angles P-C4'-P energy: -90.929 tors. eta vs tors. theta energy: -109.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1276.649462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.649462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.649462 (E_RNA) where: Base-Base interactions energy: -734.932 where: short stacking energy: -342.016 Base-Backbone interact. energy: -1.140 local terms energy: -540.578178 where: bonds (distance) C4'-P energy: -151.099 bonds (distance) P-C4' energy: -151.005 flat angles C4'-P-C4' energy: -129.107 flat angles P-C4'-P energy: -72.438 tors. eta vs tors. theta energy: -36.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -809.559496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.559496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.559496 (E_RNA) where: Base-Base interactions energy: -404.140 where: short stacking energy: -243.071 Base-Backbone interact. energy: -4.777 local terms energy: -400.642584 where: bonds (distance) C4'-P energy: -122.069 bonds (distance) P-C4' energy: -121.132 flat angles C4'-P-C4' energy: -116.955 flat angles P-C4'-P energy: -65.766 tors. eta vs tors. theta energy: 25.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -793.604612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.604612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.604612 (E_RNA) where: Base-Base interactions energy: -354.108 where: short stacking energy: -199.239 Base-Backbone interact. energy: -2.099 local terms energy: -437.397096 where: bonds (distance) C4'-P energy: -124.226 bonds (distance) P-C4' energy: -149.853 flat angles C4'-P-C4' energy: -119.939 flat angles P-C4'-P energy: -61.402 tors. eta vs tors. theta energy: 18.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2891.777521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.777521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.777521 (E_RNA) where: Base-Base interactions energy: -2032.992 where: short stacking energy: -850.301 Base-Backbone interact. energy: -2.277 local terms energy: -856.507804 where: bonds (distance) C4'-P energy: -167.227 bonds (distance) P-C4' energy: -153.648 flat angles C4'-P-C4' energy: -190.829 flat angles P-C4'-P energy: -103.391 tors. eta vs tors. theta energy: -241.413 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: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2771.424704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.424704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.424704 (E_RNA) where: Base-Base interactions energy: -1870.544 where: short stacking energy: -834.705 Base-Backbone interact. energy: -2.950 local terms energy: -897.931321 where: bonds (distance) C4'-P energy: -174.286 bonds (distance) P-C4' energy: -171.535 flat angles C4'-P-C4' energy: -193.421 flat angles P-C4'-P energy: -124.107 tors. eta vs tors. theta energy: -234.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2694.201389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.201389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.201389 (E_RNA) where: Base-Base interactions energy: -1877.651 where: short stacking energy: -772.013 Base-Backbone interact. energy: 1.197 local terms energy: -817.747884 where: bonds (distance) C4'-P energy: -133.266 bonds (distance) P-C4' energy: -154.929 flat angles C4'-P-C4' energy: -181.656 flat angles P-C4'-P energy: -121.615 tors. eta vs tors. theta energy: -226.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2657.942106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.942106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.942106 (E_RNA) where: Base-Base interactions energy: -1808.066 where: short stacking energy: -758.211 Base-Backbone interact. energy: -2.366 local terms energy: -847.510363 where: bonds (distance) C4'-P energy: -154.869 bonds (distance) P-C4' energy: -172.663 flat angles C4'-P-C4' energy: -181.257 flat angles P-C4'-P energy: -117.661 tors. eta vs tors. theta energy: -221.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2345.945259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.945259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.945259 (E_RNA) where: Base-Base interactions energy: -1580.065 where: short stacking energy: -695.929 Base-Backbone interact. energy: -2.259 local terms energy: -763.621235 where: bonds (distance) C4'-P energy: -152.787 bonds (distance) P-C4' energy: -136.083 flat angles C4'-P-C4' energy: -170.864 flat angles P-C4'-P energy: -105.057 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: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2069.319852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.319852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.319852 (E_RNA) where: Base-Base interactions energy: -1371.375 where: short stacking energy: -596.994 Base-Backbone interact. energy: -0.810 local terms energy: -697.134970 where: bonds (distance) C4'-P energy: -139.399 bonds (distance) P-C4' energy: -145.089 flat angles C4'-P-C4' energy: -150.068 flat angles P-C4'-P energy: -90.500 tors. eta vs tors. theta energy: -172.078 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: 8 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1773.586296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.586296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.586296 (E_RNA) where: Base-Base interactions energy: -1139.355 where: short stacking energy: -516.600 Base-Backbone interact. energy: 1.760 local terms energy: -635.991395 where: bonds (distance) C4'-P energy: -141.119 bonds (distance) P-C4' energy: -152.635 flat angles C4'-P-C4' energy: -153.160 flat angles P-C4'-P energy: -76.781 tors. eta vs tors. theta energy: -112.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1236.626595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.626595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.626595 (E_RNA) where: Base-Base interactions energy: -717.877 where: short stacking energy: -332.579 Base-Backbone interact. energy: 2.706 local terms energy: -521.456130 where: bonds (distance) C4'-P energy: -151.522 bonds (distance) P-C4' energy: -132.014 flat angles C4'-P-C4' energy: -134.101 flat angles P-C4'-P energy: -62.908 tors. eta vs tors. theta energy: -40.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -795.963964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.963964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.963964 (E_RNA) where: Base-Base interactions energy: -328.884 where: short stacking energy: -243.659 Base-Backbone interact. energy: -0.727 local terms energy: -466.352282 where: bonds (distance) C4'-P energy: -147.254 bonds (distance) P-C4' energy: -149.538 flat angles C4'-P-C4' energy: -96.576 flat angles P-C4'-P energy: -83.680 tors. eta vs tors. theta energy: 10.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -767.089513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.089513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.089513 (E_RNA) where: Base-Base interactions energy: -331.320 where: short stacking energy: -183.076 Base-Backbone interact. energy: -4.293 local terms energy: -431.475775 where: bonds (distance) C4'-P energy: -130.554 bonds (distance) P-C4' energy: -154.436 flat angles C4'-P-C4' energy: -119.386 flat angles P-C4'-P energy: -46.244 tors. eta vs tors. theta energy: 19.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2835.624301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.624301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.624301 (E_RNA) where: Base-Base interactions energy: -1941.627 where: short stacking energy: -820.276 Base-Backbone interact. energy: -7.403 local terms energy: -886.595028 where: bonds (distance) C4'-P energy: -172.450 bonds (distance) P-C4' energy: -164.355 flat angles C4'-P-C4' energy: -194.113 flat angles P-C4'-P energy: -114.535 tors. eta vs tors. theta energy: -241.142 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: 2, replica: 1 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2794.213114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.213114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.213114 (E_RNA) where: Base-Base interactions energy: -1906.550 where: short stacking energy: -813.307 Base-Backbone interact. energy: -6.948 local terms energy: -880.714979 where: bonds (distance) C4'-P energy: -152.191 bonds (distance) P-C4' energy: -158.634 flat angles C4'-P-C4' energy: -175.459 flat angles P-C4'-P energy: -139.785 tors. eta vs tors. theta energy: -254.646 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: 332 Temperature: 1.000000 Total energy: -2664.397709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.397709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.397709 (E_RNA) where: Base-Base interactions energy: -1830.596 where: short stacking energy: -729.568 Base-Backbone interact. energy: -1.459 local terms energy: -832.343250 where: bonds (distance) C4'-P energy: -162.948 bonds (distance) P-C4' energy: -155.473 flat angles C4'-P-C4' energy: -174.806 flat angles P-C4'-P energy: -124.601 tors. eta vs tors. theta energy: -214.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2667.240728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.240728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.240728 (E_RNA) where: Base-Base interactions energy: -1857.868 where: short stacking energy: -758.916 Base-Backbone interact. energy: -6.280 local terms energy: -803.091941 where: bonds (distance) C4'-P energy: -145.508 bonds (distance) P-C4' energy: -158.488 flat angles C4'-P-C4' energy: -165.861 flat angles P-C4'-P energy: -116.272 tors. eta vs tors. theta energy: -216.963 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: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2359.255877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.255877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.255877 (E_RNA) where: Base-Base interactions energy: -1609.951 where: short stacking energy: -668.777 Base-Backbone interact. energy: -4.344 local terms energy: -744.961716 where: bonds (distance) C4'-P energy: -144.250 bonds (distance) P-C4' energy: -151.265 flat angles C4'-P-C4' energy: -157.596 flat angles P-C4'-P energy: -103.113 tors. eta vs tors. theta energy: -188.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2090.262348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.262348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.262348 (E_RNA) where: Base-Base interactions energy: -1411.048 where: short stacking energy: -614.038 Base-Backbone interact. energy: -1.367 local terms energy: -677.847224 where: bonds (distance) C4'-P energy: -119.920 bonds (distance) P-C4' energy: -149.734 flat angles C4'-P-C4' energy: -161.080 flat angles P-C4'-P energy: -86.213 tors. eta vs tors. theta energy: -160.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1778.511575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.511575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.511575 (E_RNA) where: Base-Base interactions energy: -1153.467 where: short stacking energy: -493.505 Base-Backbone interact. energy: -5.378 local terms energy: -619.667246 where: bonds (distance) C4'-P energy: -142.865 bonds (distance) P-C4' energy: -154.031 flat angles C4'-P-C4' energy: -135.354 flat angles P-C4'-P energy: -90.463 tors. eta vs tors. theta energy: -96.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1196.535644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.535644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.535644 (E_RNA) where: Base-Base interactions energy: -689.107 where: short stacking energy: -353.040 Base-Backbone interact. energy: -1.815 local terms energy: -505.613634 where: bonds (distance) C4'-P energy: -123.526 bonds (distance) P-C4' energy: -129.759 flat angles C4'-P-C4' energy: -126.929 flat angles P-C4'-P energy: -72.076 tors. eta vs tors. theta energy: -53.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -756.199011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.199011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.199011 (E_RNA) where: Base-Base interactions energy: -324.645 where: short stacking energy: -220.927 Base-Backbone interact. energy: 2.541 local terms energy: -434.094964 where: bonds (distance) C4'-P energy: -128.627 bonds (distance) P-C4' energy: -154.800 flat angles C4'-P-C4' energy: -98.446 flat angles P-C4'-P energy: -69.003 tors. eta vs tors. theta energy: 16.781 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: 6 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -738.579905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.579905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.579905 (E_RNA) where: Base-Base interactions energy: -328.583 where: short stacking energy: -184.984 Base-Backbone interact. energy: 2.009 local terms energy: -412.006371 where: bonds (distance) C4'-P energy: -135.423 bonds (distance) P-C4' energy: -124.358 flat angles C4'-P-C4' energy: -95.796 flat angles P-C4'-P energy: -84.651 tors. eta vs tors. theta energy: 28.222 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: 7 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2861.982153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.982153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.982153 (E_RNA) where: Base-Base interactions energy: -1984.429 where: short stacking energy: -813.813 Base-Backbone interact. energy: -5.963 local terms energy: -871.589741 where: bonds (distance) C4'-P energy: -149.048 bonds (distance) P-C4' energy: -169.863 flat angles C4'-P-C4' energy: -192.088 flat angles P-C4'-P energy: -122.844 tors. eta vs tors. theta energy: -237.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2753.102408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.102408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.102408 (E_RNA) where: Base-Base interactions energy: -1887.609 where: short stacking energy: -778.651 Base-Backbone interact. energy: 8.066 local terms energy: -873.559106 where: bonds (distance) C4'-P energy: -157.338 bonds (distance) P-C4' energy: -180.441 flat angles C4'-P-C4' energy: -171.330 flat angles P-C4'-P energy: -127.647 tors. eta vs tors. theta energy: -236.803 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: 333 Temperature: 1.000000 Total energy: -2704.981696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.981696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.981696 (E_RNA) where: Base-Base interactions energy: -1873.938 where: short stacking energy: -825.686 Base-Backbone interact. energy: -0.503 local terms energy: -830.541411 where: bonds (distance) C4'-P energy: -145.692 bonds (distance) P-C4' energy: -149.838 flat angles C4'-P-C4' energy: -177.037 flat angles P-C4'-P energy: -112.706 tors. eta vs tors. theta energy: -245.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2660.235097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.235097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.235097 (E_RNA) where: Base-Base interactions energy: -1813.405 where: short stacking energy: -755.965 Base-Backbone interact. energy: -0.408 local terms energy: -846.422026 where: bonds (distance) C4'-P energy: -154.043 bonds (distance) P-C4' energy: -159.057 flat angles C4'-P-C4' energy: -181.954 flat angles P-C4'-P energy: -129.505 tors. eta vs tors. theta energy: -221.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2401.634233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.634233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.634233 (E_RNA) where: Base-Base interactions energy: -1626.715 where: short stacking energy: -674.801 Base-Backbone interact. energy: -2.928 local terms energy: -771.990970 where: bonds (distance) C4'-P energy: -163.876 bonds (distance) P-C4' energy: -150.810 flat angles C4'-P-C4' energy: -157.799 flat angles P-C4'-P energy: -112.382 tors. eta vs tors. theta energy: -187.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2107.988933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.988933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.988933 (E_RNA) where: Base-Base interactions energy: -1420.003 where: short stacking energy: -601.021 Base-Backbone interact. energy: -3.443 local terms energy: -684.542310 where: bonds (distance) C4'-P energy: -143.202 bonds (distance) P-C4' energy: -142.104 flat angles C4'-P-C4' energy: -142.839 flat angles P-C4'-P energy: -98.165 tors. eta vs tors. theta energy: -158.233 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: 333 Temperature: 1.200000 Total energy: -1735.611980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.611980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.611980 (E_RNA) where: Base-Base interactions energy: -1123.517 where: short stacking energy: -498.585 Base-Backbone interact. energy: 4.740 local terms energy: -616.834467 where: bonds (distance) C4'-P energy: -126.811 bonds (distance) P-C4' energy: -142.983 flat angles C4'-P-C4' energy: -148.102 flat angles P-C4'-P energy: -90.299 tors. eta vs tors. theta energy: -108.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1259.303202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.303202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.303202 (E_RNA) where: Base-Base interactions energy: -682.347 where: short stacking energy: -331.772 Base-Backbone interact. energy: 3.162 local terms energy: -580.117745 where: bonds (distance) C4'-P energy: -150.255 bonds (distance) P-C4' energy: -161.044 flat angles C4'-P-C4' energy: -139.895 flat angles P-C4'-P energy: -82.118 tors. eta vs tors. theta energy: -46.806 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: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -748.606906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.606906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.606906 (E_RNA) where: Base-Base interactions energy: -308.125 where: short stacking energy: -199.309 Base-Backbone interact. energy: -0.322 local terms energy: -440.159160 where: bonds (distance) C4'-P energy: -134.656 bonds (distance) P-C4' energy: -144.134 flat angles C4'-P-C4' energy: -113.338 flat angles P-C4'-P energy: -75.073 tors. eta vs tors. theta energy: 27.042 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: 6 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -755.332464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.332464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.332464 (E_RNA) where: Base-Base interactions energy: -332.553 where: short stacking energy: -212.038 Base-Backbone interact. energy: -1.011 local terms energy: -421.768364 where: bonds (distance) C4'-P energy: -126.012 bonds (distance) P-C4' energy: -142.307 flat angles C4'-P-C4' energy: -101.513 flat angles P-C4'-P energy: -67.711 tors. eta vs tors. theta energy: 15.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2896.904974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.904974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.904974 (E_RNA) where: Base-Base interactions energy: -1975.884 where: short stacking energy: -819.645 Base-Backbone interact. energy: -3.994 local terms energy: -917.026689 where: bonds (distance) C4'-P energy: -165.050 bonds (distance) P-C4' energy: -158.683 flat angles C4'-P-C4' energy: -196.945 flat angles P-C4'-P energy: -144.042 tors. eta vs tors. theta energy: -252.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2819.461128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.461128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.461128 (E_RNA) where: Base-Base interactions energy: -1933.696 where: short stacking energy: -833.006 Base-Backbone interact. energy: -5.937 local terms energy: -879.828620 where: bonds (distance) C4'-P energy: -175.854 bonds (distance) P-C4' energy: -159.587 flat angles C4'-P-C4' energy: -179.136 flat angles P-C4'-P energy: -119.147 tors. eta vs tors. theta energy: -246.105 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: 2 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2692.744040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.744040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.744040 (E_RNA) where: Base-Base interactions energy: -1865.392 where: short stacking energy: -781.243 Base-Backbone interact. energy: -4.416 local terms energy: -822.936223 where: bonds (distance) C4'-P energy: -138.010 bonds (distance) P-C4' energy: -168.468 flat angles C4'-P-C4' energy: -177.725 flat angles P-C4'-P energy: -102.877 tors. eta vs tors. theta energy: -235.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2649.137184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.137184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.137184 (E_RNA) where: Base-Base interactions energy: -1869.159 where: short stacking energy: -759.445 Base-Backbone interact. energy: 5.788 local terms energy: -785.765831 where: bonds (distance) C4'-P energy: -146.585 bonds (distance) P-C4' energy: -145.233 flat angles C4'-P-C4' energy: -175.042 flat angles P-C4'-P energy: -100.603 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: 5, replica: 10 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2399.424626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.424626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.424626 (E_RNA) where: Base-Base interactions energy: -1617.718 where: short stacking energy: -694.889 Base-Backbone interact. energy: -0.861 local terms energy: -780.845871 where: bonds (distance) C4'-P energy: -140.045 bonds (distance) P-C4' energy: -153.412 flat angles C4'-P-C4' energy: -169.884 flat angles P-C4'-P energy: -113.778 tors. eta vs tors. theta energy: -203.727 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: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2124.064243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.064243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.064243 (E_RNA) where: Base-Base interactions energy: -1472.162 where: short stacking energy: -629.242 Base-Backbone interact. energy: 6.213 local terms energy: -658.114897 where: bonds (distance) C4'-P energy: -133.898 bonds (distance) P-C4' energy: -137.485 flat angles C4'-P-C4' energy: -152.615 flat angles P-C4'-P energy: -82.779 tors. eta vs tors. theta energy: -151.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1730.166790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.166790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.166790 (E_RNA) where: Base-Base interactions energy: -1114.651 where: short stacking energy: -516.101 Base-Backbone interact. energy: -5.305 local terms energy: -610.210596 where: bonds (distance) C4'-P energy: -144.449 bonds (distance) P-C4' energy: -143.072 flat angles C4'-P-C4' energy: -138.832 flat angles P-C4'-P energy: -77.650 tors. eta vs tors. theta energy: -106.207 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: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1189.440059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.440059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.440059 (E_RNA) where: Base-Base interactions energy: -670.389 where: short stacking energy: -323.056 Base-Backbone interact. energy: -4.125 local terms energy: -514.925765 where: bonds (distance) C4'-P energy: -129.159 bonds (distance) P-C4' energy: -141.920 flat angles C4'-P-C4' energy: -130.530 flat angles P-C4'-P energy: -85.368 tors. eta vs tors. theta energy: -27.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -787.512399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.512399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.512399 (E_RNA) where: Base-Base interactions energy: -345.740 where: short stacking energy: -224.166 Base-Backbone interact. energy: 2.263 local terms energy: -444.035824 where: bonds (distance) C4'-P energy: -113.971 bonds (distance) P-C4' energy: -139.338 flat angles C4'-P-C4' energy: -127.716 flat angles P-C4'-P energy: -69.496 tors. eta vs tors. theta energy: 6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -716.978907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.978907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.978907 (E_RNA) where: Base-Base interactions energy: -286.550 where: short stacking energy: -195.333 Base-Backbone interact. energy: -1.974 local terms energy: -428.455452 where: bonds (distance) C4'-P energy: -135.160 bonds (distance) P-C4' energy: -125.853 flat angles C4'-P-C4' energy: -118.146 flat angles P-C4'-P energy: -64.438 tors. eta vs tors. theta energy: 15.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2878.821566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.821566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.821566 (E_RNA) where: Base-Base interactions energy: -1965.987 where: short stacking energy: -823.988 Base-Backbone interact. energy: -1.916 local terms energy: -910.918596 where: bonds (distance) C4'-P energy: -167.268 bonds (distance) P-C4' energy: -159.344 flat angles C4'-P-C4' energy: -200.751 flat angles P-C4'-P energy: -131.263 tors. eta vs tors. theta energy: -252.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2775.956716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.956716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.956716 (E_RNA) where: Base-Base interactions energy: -1910.040 where: short stacking energy: -813.461 Base-Backbone interact. energy: -0.185 local terms energy: -865.732211 where: bonds (distance) C4'-P energy: -163.610 bonds (distance) P-C4' energy: -152.819 flat angles C4'-P-C4' energy: -185.211 flat angles P-C4'-P energy: -123.157 tors. eta vs tors. theta energy: -240.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2717.490040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.490040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.490040 (E_RNA) where: Base-Base interactions energy: -1875.792 where: short stacking energy: -812.894 Base-Backbone interact. energy: -4.918 local terms energy: -836.780326 where: bonds (distance) C4'-P energy: -175.762 bonds (distance) P-C4' energy: -148.910 flat angles C4'-P-C4' energy: -177.939 flat angles P-C4'-P energy: -91.100 tors. eta vs tors. theta energy: -243.069 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: 335 Temperature: 1.050000 Total energy: -2640.563686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.563686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.563686 (E_RNA) where: Base-Base interactions energy: -1824.174 where: short stacking energy: -768.288 Base-Backbone interact. energy: -5.096 local terms energy: -811.293818 where: bonds (distance) C4'-P energy: -142.788 bonds (distance) P-C4' energy: -155.554 flat angles C4'-P-C4' energy: -167.847 flat angles P-C4'-P energy: -117.161 tors. eta vs tors. theta energy: -227.944 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: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2390.736124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.736124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.736124 (E_RNA) where: Base-Base interactions energy: -1629.884 where: short stacking energy: -680.835 Base-Backbone interact. energy: 4.761 local terms energy: -765.613007 where: bonds (distance) C4'-P energy: -133.196 bonds (distance) P-C4' energy: -155.584 flat angles C4'-P-C4' energy: -167.712 flat angles P-C4'-P energy: -114.344 tors. eta vs tors. theta energy: -194.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2164.401292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.401292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.401292 (E_RNA) where: Base-Base interactions energy: -1469.121 where: short stacking energy: -633.978 Base-Backbone interact. energy: 1.505 local terms energy: -696.785976 where: bonds (distance) C4'-P energy: -115.205 bonds (distance) P-C4' energy: -165.270 flat angles C4'-P-C4' energy: -154.507 flat angles P-C4'-P energy: -100.961 tors. eta vs tors. theta energy: -160.844 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: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1761.722159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.722159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.722159 (E_RNA) where: Base-Base interactions energy: -1137.172 where: short stacking energy: -513.453 Base-Backbone interact. energy: -6.240 local terms energy: -618.310321 where: bonds (distance) C4'-P energy: -138.453 bonds (distance) P-C4' energy: -141.475 flat angles C4'-P-C4' energy: -145.696 flat angles P-C4'-P energy: -79.109 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: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1261.712977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.712977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.712977 (E_RNA) where: Base-Base interactions energy: -756.816 where: short stacking energy: -359.155 Base-Backbone interact. energy: -3.212 local terms energy: -501.685091 where: bonds (distance) C4'-P energy: -134.245 bonds (distance) P-C4' energy: -142.405 flat angles C4'-P-C4' energy: -119.720 flat angles P-C4'-P energy: -67.333 tors. eta vs tors. theta energy: -37.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -852.405761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.405761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.405761 (E_RNA) where: Base-Base interactions energy: -383.330 where: short stacking energy: -242.309 Base-Backbone interact. energy: -2.805 local terms energy: -466.270673 where: bonds (distance) C4'-P energy: -131.929 bonds (distance) P-C4' energy: -146.238 flat angles C4'-P-C4' energy: -123.141 flat angles P-C4'-P energy: -58.039 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: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -724.833317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.833317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.833317 (E_RNA) where: Base-Base interactions energy: -296.736 where: short stacking energy: -165.514 Base-Backbone interact. energy: 0.541 local terms energy: -428.638448 where: bonds (distance) C4'-P energy: -154.096 bonds (distance) P-C4' energy: -148.538 flat angles C4'-P-C4' energy: -97.581 flat angles P-C4'-P energy: -47.838 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: 1 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2872.185633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.185633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.185633 (E_RNA) where: Base-Base interactions energy: -1959.248 where: short stacking energy: -843.829 Base-Backbone interact. energy: -2.645 local terms energy: -910.292856 where: bonds (distance) C4'-P energy: -165.202 bonds (distance) P-C4' energy: -175.133 flat angles C4'-P-C4' energy: -193.020 flat angles P-C4'-P energy: -129.696 tors. eta vs tors. theta energy: -247.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2801.819351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.819351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.819351 (E_RNA) where: Base-Base interactions energy: -1934.976 where: short stacking energy: -818.706 Base-Backbone interact. energy: -5.014 local terms energy: -861.829408 where: bonds (distance) C4'-P energy: -156.129 bonds (distance) P-C4' energy: -171.588 flat angles C4'-P-C4' energy: -169.487 flat angles P-C4'-P energy: -121.820 tors. eta vs tors. theta energy: -242.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2722.395664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.395664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.395664 (E_RNA) where: Base-Base interactions energy: -1848.925 where: short stacking energy: -819.831 Base-Backbone interact. energy: -2.451 local terms energy: -871.019824 where: bonds (distance) C4'-P energy: -142.981 bonds (distance) P-C4' energy: -169.076 flat angles C4'-P-C4' energy: -193.717 flat angles P-C4'-P energy: -122.961 tors. eta vs tors. theta energy: -242.286 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: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2615.117142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.117142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.117142 (E_RNA) where: Base-Base interactions energy: -1780.351 where: short stacking energy: -741.490 Base-Backbone interact. energy: 0.902 local terms energy: -835.668089 where: bonds (distance) C4'-P energy: -137.985 bonds (distance) P-C4' energy: -166.347 flat angles C4'-P-C4' energy: -183.069 flat angles P-C4'-P energy: -115.138 tors. eta vs tors. theta energy: -233.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2430.978276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.978276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.978276 (E_RNA) where: Base-Base interactions energy: -1644.712 where: short stacking energy: -707.767 Base-Backbone interact. energy: -0.722 local terms energy: -785.543747 where: bonds (distance) C4'-P energy: -152.949 bonds (distance) P-C4' energy: -143.115 flat angles C4'-P-C4' energy: -175.838 flat angles P-C4'-P energy: -117.267 tors. eta vs tors. theta energy: -196.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2118.057106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.057106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.057106 (E_RNA) where: Base-Base interactions energy: -1456.554 where: short stacking energy: -610.050 Base-Backbone interact. energy: 5.444 local terms energy: -666.947373 where: bonds (distance) C4'-P energy: -146.946 bonds (distance) P-C4' energy: -142.293 flat angles C4'-P-C4' energy: -151.439 flat angles P-C4'-P energy: -76.898 tors. eta vs tors. theta energy: -149.371 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: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1753.162417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.162417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.162417 (E_RNA) where: Base-Base interactions energy: -1150.020 where: short stacking energy: -479.769 Base-Backbone interact. energy: 0.029 local terms energy: -603.171051 where: bonds (distance) C4'-P energy: -126.002 bonds (distance) P-C4' energy: -133.888 flat angles C4'-P-C4' energy: -142.562 flat angles P-C4'-P energy: -83.702 tors. eta vs tors. theta energy: -117.018 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: 336 Temperature: 1.250000 Total energy: -1280.412730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.412730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.412730 (E_RNA) where: Base-Base interactions energy: -749.033 where: short stacking energy: -358.080 Base-Backbone interact. energy: 6.012 local terms energy: -537.392172 where: bonds (distance) C4'-P energy: -149.141 bonds (distance) P-C4' energy: -131.426 flat angles C4'-P-C4' energy: -128.173 flat angles P-C4'-P energy: -90.234 tors. eta vs tors. theta energy: -38.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -800.041558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.041558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.041558 (E_RNA) where: Base-Base interactions energy: -338.134 where: short stacking energy: -202.744 Base-Backbone interact. energy: 1.226 local terms energy: -463.134017 where: bonds (distance) C4'-P energy: -127.164 bonds (distance) P-C4' energy: -146.774 flat angles C4'-P-C4' energy: -124.446 flat angles P-C4'-P energy: -70.874 tors. eta vs tors. theta energy: 6.124 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: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -718.804798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.804798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.804798 (E_RNA) where: Base-Base interactions energy: -355.094 where: short stacking energy: -217.415 Base-Backbone interact. energy: -2.116 local terms energy: -361.594335 where: bonds (distance) C4'-P energy: -131.411 bonds (distance) P-C4' energy: -130.261 flat angles C4'-P-C4' energy: -89.649 flat angles P-C4'-P energy: -49.086 tors. eta vs tors. theta energy: 38.813 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: 1 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2875.349515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.349515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.349515 (E_RNA) where: Base-Base interactions energy: -2006.886 where: short stacking energy: -837.714 Base-Backbone interact. energy: 2.625 local terms energy: -871.088690 where: bonds (distance) C4'-P energy: -149.231 bonds (distance) P-C4' energy: -164.037 flat angles C4'-P-C4' energy: -182.439 flat angles P-C4'-P energy: -124.697 tors. eta vs tors. theta energy: -250.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2813.782851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.782851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.782851 (E_RNA) where: Base-Base interactions energy: -1927.534 where: short stacking energy: -801.932 Base-Backbone interact. energy: -1.903 local terms energy: -884.346235 where: bonds (distance) C4'-P energy: -168.274 bonds (distance) P-C4' energy: -169.046 flat angles C4'-P-C4' energy: -185.964 flat angles P-C4'-P energy: -125.533 tors. eta vs tors. theta energy: -235.530 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: 2 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2706.224614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.224614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.224614 (E_RNA) where: Base-Base interactions energy: -1877.201 where: short stacking energy: -798.533 Base-Backbone interact. energy: -6.790 local terms energy: -822.233569 where: bonds (distance) C4'-P energy: -140.056 bonds (distance) P-C4' energy: -135.505 flat angles C4'-P-C4' energy: -188.773 flat angles P-C4'-P energy: -122.418 tors. eta vs tors. theta energy: -235.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2640.087398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.087398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.087398 (E_RNA) where: Base-Base interactions energy: -1803.223 where: short stacking energy: -751.036 Base-Backbone interact. energy: -3.770 local terms energy: -833.094503 where: bonds (distance) C4'-P energy: -166.931 bonds (distance) P-C4' energy: -146.108 flat angles C4'-P-C4' energy: -173.222 flat angles P-C4'-P energy: -114.878 tors. eta vs tors. theta energy: -231.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2323.500578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.500578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.500578 (E_RNA) where: Base-Base interactions energy: -1573.300 where: short stacking energy: -656.540 Base-Backbone interact. energy: -0.823 local terms energy: -749.378294 where: bonds (distance) C4'-P energy: -133.688 bonds (distance) P-C4' energy: -141.655 flat angles C4'-P-C4' energy: -166.567 flat angles P-C4'-P energy: -112.304 tors. eta vs tors. theta energy: -195.164 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: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2110.510761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.510761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.510761 (E_RNA) where: Base-Base interactions energy: -1425.412 where: short stacking energy: -595.524 Base-Backbone interact. energy: 3.038 local terms energy: -688.136370 where: bonds (distance) C4'-P energy: -155.787 bonds (distance) P-C4' energy: -139.809 flat angles C4'-P-C4' energy: -153.388 flat angles P-C4'-P energy: -69.994 tors. eta vs tors. theta energy: -169.158 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: 7, replica: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1698.692308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.692308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.692308 (E_RNA) where: Base-Base interactions energy: -1099.036 where: short stacking energy: -477.246 Base-Backbone interact. energy: 4.073 local terms energy: -603.728541 where: bonds (distance) C4'-P energy: -142.134 bonds (distance) P-C4' energy: -134.726 flat angles C4'-P-C4' energy: -140.462 flat angles P-C4'-P energy: -90.401 tors. eta vs tors. theta energy: -96.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1259.907031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.907031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.907031 (E_RNA) where: Base-Base interactions energy: -763.035 where: short stacking energy: -359.524 Base-Backbone interact. energy: 10.610 local terms energy: -507.482092 where: bonds (distance) C4'-P energy: -122.652 bonds (distance) P-C4' energy: -146.475 flat angles C4'-P-C4' energy: -121.487 flat angles P-C4'-P energy: -64.301 tors. eta vs tors. theta energy: -52.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -857.455651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.455651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.455651 (E_RNA) where: Base-Base interactions energy: -371.320 where: short stacking energy: -233.506 Base-Backbone interact. energy: 4.496 local terms energy: -490.632508 where: bonds (distance) C4'-P energy: -146.873 bonds (distance) P-C4' energy: -146.419 flat angles C4'-P-C4' energy: -114.361 flat angles P-C4'-P energy: -74.588 tors. eta vs tors. theta energy: -8.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -708.491065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.491065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.491065 (E_RNA) where: Base-Base interactions energy: -287.659 where: short stacking energy: -212.922 Base-Backbone interact. energy: 4.940 local terms energy: -425.772173 where: bonds (distance) C4'-P energy: -137.362 bonds (distance) P-C4' energy: -144.295 flat angles C4'-P-C4' energy: -102.519 flat angles P-C4'-P energy: -55.495 tors. eta vs tors. theta energy: 13.899 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: 1, replica: 7 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2849.906718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.906718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.906718 (E_RNA) where: Base-Base interactions energy: -1978.163 where: short stacking energy: -851.586 Base-Backbone interact. energy: 0.740 local terms energy: -872.483787 where: bonds (distance) C4'-P energy: -157.272 bonds (distance) P-C4' energy: -156.722 flat angles C4'-P-C4' energy: -195.488 flat angles P-C4'-P energy: -117.610 tors. eta vs tors. theta energy: -245.391 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: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2811.058599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.058599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.058599 (E_RNA) where: Base-Base interactions energy: -1933.606 where: short stacking energy: -806.097 Base-Backbone interact. energy: -5.520 local terms energy: -871.932785 where: bonds (distance) C4'-P energy: -155.126 bonds (distance) P-C4' energy: -159.492 flat angles C4'-P-C4' energy: -194.519 flat angles P-C4'-P energy: -124.570 tors. eta vs tors. theta energy: -238.225 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: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2660.161444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.161444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.161444 (E_RNA) where: Base-Base interactions energy: -1851.522 where: short stacking energy: -764.317 Base-Backbone interact. energy: -1.757 local terms energy: -806.882447 where: bonds (distance) C4'-P energy: -158.309 bonds (distance) P-C4' energy: -142.499 flat angles C4'-P-C4' energy: -186.615 flat angles P-C4'-P energy: -103.630 tors. eta vs tors. theta energy: -215.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2661.318921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.318921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.318921 (E_RNA) where: Base-Base interactions energy: -1825.107 where: short stacking energy: -768.948 Base-Backbone interact. energy: -4.350 local terms energy: -831.861714 where: bonds (distance) C4'-P energy: -143.429 bonds (distance) P-C4' energy: -145.844 flat angles C4'-P-C4' energy: -170.246 flat angles P-C4'-P energy: -130.899 tors. eta vs tors. theta energy: -241.444 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: 5, replica: 10 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2285.218674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.218674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.218674 (E_RNA) where: Base-Base interactions energy: -1550.081 where: short stacking energy: -674.616 Base-Backbone interact. energy: 0.896 local terms energy: -736.033040 where: bonds (distance) C4'-P energy: -140.339 bonds (distance) P-C4' energy: -138.040 flat angles C4'-P-C4' energy: -169.476 flat angles P-C4'-P energy: -103.242 tors. eta vs tors. theta energy: -184.937 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: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2097.388739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.388739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.388739 (E_RNA) where: Base-Base interactions energy: -1400.057 where: short stacking energy: -591.512 Base-Backbone interact. energy: 6.710 local terms energy: -704.042185 where: bonds (distance) C4'-P energy: -126.407 bonds (distance) P-C4' energy: -146.565 flat angles C4'-P-C4' energy: -164.675 flat angles P-C4'-P energy: -104.388 tors. eta vs tors. theta energy: -162.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1765.947524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.947524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.947524 (E_RNA) where: Base-Base interactions energy: -1131.951 where: short stacking energy: -500.156 Base-Backbone interact. energy: -0.512 local terms energy: -633.485283 where: bonds (distance) C4'-P energy: -130.228 bonds (distance) P-C4' energy: -151.930 flat angles C4'-P-C4' energy: -133.081 flat angles P-C4'-P energy: -90.935 tors. eta vs tors. theta energy: -127.312 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: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1319.647815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.647815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.647815 (E_RNA) where: Base-Base interactions energy: -830.678 where: short stacking energy: -369.704 Base-Backbone interact. energy: 0.849 local terms energy: -489.818070 where: bonds (distance) C4'-P energy: -132.187 bonds (distance) P-C4' energy: -131.205 flat angles C4'-P-C4' energy: -109.507 flat angles P-C4'-P energy: -68.982 tors. eta vs tors. theta energy: -47.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -777.138985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.138985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.138985 (E_RNA) where: Base-Base interactions energy: -340.243 where: short stacking energy: -232.630 Base-Backbone interact. energy: -0.910 local terms energy: -435.985752 where: bonds (distance) C4'-P energy: -112.890 bonds (distance) P-C4' energy: -142.198 flat angles C4'-P-C4' energy: -113.778 flat angles P-C4'-P energy: -68.227 tors. eta vs tors. theta energy: 1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -776.696949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.696949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.696949 (E_RNA) where: Base-Base interactions energy: -331.580 where: short stacking energy: -197.777 Base-Backbone interact. energy: -3.086 local terms energy: -442.030383 where: bonds (distance) C4'-P energy: -139.644 bonds (distance) P-C4' energy: -134.106 flat angles C4'-P-C4' energy: -118.391 flat angles P-C4'-P energy: -72.173 tors. eta vs tors. theta energy: 22.284 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: 1, replica: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2844.030883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.030883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.030883 (E_RNA) where: Base-Base interactions energy: -1962.379 where: short stacking energy: -851.887 Base-Backbone interact. energy: -4.284 local terms energy: -877.368320 where: bonds (distance) C4'-P energy: -151.536 bonds (distance) P-C4' energy: -152.952 flat angles C4'-P-C4' energy: -195.497 flat angles P-C4'-P energy: -134.394 tors. eta vs tors. theta energy: -242.989 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: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2813.534946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.534946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.534946 (E_RNA) where: Base-Base interactions energy: -1952.588 where: short stacking energy: -817.077 Base-Backbone interact. energy: -5.241 local terms energy: -855.706023 where: bonds (distance) C4'-P energy: -161.909 bonds (distance) P-C4' energy: -165.021 flat angles C4'-P-C4' energy: -182.042 flat angles P-C4'-P energy: -110.290 tors. eta vs tors. theta energy: -236.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2691.507340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.507340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.507340 (E_RNA) where: Base-Base interactions energy: -1866.353 where: short stacking energy: -768.969 Base-Backbone interact. energy: -0.929 local terms energy: -824.225385 where: bonds (distance) C4'-P energy: -152.660 bonds (distance) P-C4' energy: -152.828 flat angles C4'-P-C4' energy: -176.542 flat angles P-C4'-P energy: -117.752 tors. eta vs tors. theta energy: -224.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2617.675754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.675754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.675754 (E_RNA) where: Base-Base interactions energy: -1789.993 where: short stacking energy: -756.950 Base-Backbone interact. energy: -3.148 local terms energy: -824.534143 where: bonds (distance) C4'-P energy: -158.794 bonds (distance) P-C4' energy: -156.780 flat angles C4'-P-C4' energy: -156.300 flat angles P-C4'-P energy: -133.218 tors. eta vs tors. theta energy: -219.443 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: 5, replica: 10 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2331.853744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.853744 (E_RNA) where: Base-Base interactions energy: -1549.770 where: short stacking energy: -653.258 Base-Backbone interact. energy: -1.037 local terms energy: -781.046654 where: bonds (distance) C4'-P energy: -158.523 bonds (distance) P-C4' energy: -153.089 flat angles C4'-P-C4' energy: -165.660 flat angles P-C4'-P energy: -113.729 tors. eta vs tors. theta energy: -190.047 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: 339 Temperature: 1.150000 Total energy: -2024.316082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.316082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.316082 (E_RNA) where: Base-Base interactions energy: -1346.227 where: short stacking energy: -553.032 Base-Backbone interact. energy: -2.631 local terms energy: -675.457822 where: bonds (distance) C4'-P energy: -127.145 bonds (distance) P-C4' energy: -146.649 flat angles C4'-P-C4' energy: -164.640 flat angles P-C4'-P energy: -99.651 tors. eta vs tors. theta energy: -137.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1771.725887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.725887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.725887 (E_RNA) where: Base-Base interactions energy: -1186.930 where: short stacking energy: -517.980 Base-Backbone interact. energy: -3.757 local terms energy: -581.039581 where: bonds (distance) C4'-P energy: -126.352 bonds (distance) P-C4' energy: -125.610 flat angles C4'-P-C4' energy: -141.700 flat angles P-C4'-P energy: -92.982 tors. eta vs tors. theta energy: -94.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1329.510006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.510006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.510006 (E_RNA) where: Base-Base interactions energy: -813.075 where: short stacking energy: -352.119 Base-Backbone interact. energy: 0.585 local terms energy: -517.019923 where: bonds (distance) C4'-P energy: -126.137 bonds (distance) P-C4' energy: -139.307 flat angles C4'-P-C4' energy: -139.076 flat angles P-C4'-P energy: -77.924 tors. eta vs tors. theta energy: -34.575 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: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -764.038657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.038657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.038657 (E_RNA) where: Base-Base interactions energy: -346.602 where: short stacking energy: -218.637 Base-Backbone interact. energy: -1.405 local terms energy: -416.031277 where: bonds (distance) C4'-P energy: -113.023 bonds (distance) P-C4' energy: -143.074 flat angles C4'-P-C4' energy: -110.871 flat angles P-C4'-P energy: -68.206 tors. eta vs tors. theta energy: 19.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -721.151084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.151084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.151084 (E_RNA) where: Base-Base interactions energy: -301.697 where: short stacking energy: -189.977 Base-Backbone interact. energy: 9.429 local terms energy: -428.882632 where: bonds (distance) C4'-P energy: -119.597 bonds (distance) P-C4' energy: -140.862 flat angles C4'-P-C4' energy: -119.276 flat angles P-C4'-P energy: -62.052 tors. eta vs tors. theta energy: 12.905 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: 7 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2877.294545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.294545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.294545 (E_RNA) where: Base-Base interactions energy: -1998.952 where: short stacking energy: -847.692 Base-Backbone interact. energy: 1.084 local terms energy: -879.426040 where: bonds (distance) C4'-P energy: -167.921 bonds (distance) P-C4' energy: -161.115 flat angles C4'-P-C4' energy: -190.403 flat angles P-C4'-P energy: -117.225 tors. eta vs tors. theta energy: -242.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2835.756480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.756480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.756480 (E_RNA) where: Base-Base interactions energy: -1937.410 where: short stacking energy: -799.150 Base-Backbone interact. energy: -5.422 local terms energy: -892.924138 where: bonds (distance) C4'-P energy: -173.498 bonds (distance) P-C4' energy: -170.538 flat angles C4'-P-C4' energy: -189.516 flat angles P-C4'-P energy: -137.333 tors. eta vs tors. theta energy: -222.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2687.333546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.333546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.333546 (E_RNA) where: Base-Base interactions energy: -1866.494 where: short stacking energy: -781.012 Base-Backbone interact. energy: -4.296 local terms energy: -816.543521 where: bonds (distance) C4'-P energy: -133.056 bonds (distance) P-C4' energy: -157.056 flat angles C4'-P-C4' energy: -178.947 flat angles P-C4'-P energy: -117.729 tors. eta vs tors. theta energy: -229.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2621.926121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.926121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.926121 (E_RNA) where: Base-Base interactions energy: -1836.411 where: short stacking energy: -764.346 Base-Backbone interact. energy: -1.960 local terms energy: -783.555296 where: bonds (distance) C4'-P energy: -142.645 bonds (distance) P-C4' energy: -141.848 flat angles C4'-P-C4' energy: -169.801 flat angles P-C4'-P energy: -118.646 tors. eta vs tors. theta energy: -210.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2255.625114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.625114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.625114 (E_RNA) where: Base-Base interactions energy: -1495.385 where: short stacking energy: -665.586 Base-Backbone interact. energy: -0.673 local terms energy: -759.566669 where: bonds (distance) C4'-P energy: -137.533 bonds (distance) P-C4' energy: -150.301 flat angles C4'-P-C4' energy: -172.574 flat angles P-C4'-P energy: -115.198 tors. eta vs tors. theta energy: -183.960 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: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2064.584666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.584666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.584666 (E_RNA) where: Base-Base interactions energy: -1363.128 where: short stacking energy: -598.678 Base-Backbone interact. energy: -1.033 local terms energy: -700.424314 where: bonds (distance) C4'-P energy: -147.656 bonds (distance) P-C4' energy: -137.602 flat angles C4'-P-C4' energy: -156.472 flat angles P-C4'-P energy: -104.280 tors. eta vs tors. theta energy: -154.414 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: 7, replica: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1763.903185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.903185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.903185 (E_RNA) where: Base-Base interactions energy: -1152.630 where: short stacking energy: -490.725 Base-Backbone interact. energy: -4.431 local terms energy: -606.842386 where: bonds (distance) C4'-P energy: -124.512 bonds (distance) P-C4' energy: -149.346 flat angles C4'-P-C4' energy: -131.213 flat angles P-C4'-P energy: -91.595 tors. eta vs tors. theta energy: -110.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1320.330981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.330981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.330981 (E_RNA) where: Base-Base interactions energy: -818.277 where: short stacking energy: -365.927 Base-Backbone interact. energy: -0.971 local terms energy: -501.083356 where: bonds (distance) C4'-P energy: -137.725 bonds (distance) P-C4' energy: -121.532 flat angles C4'-P-C4' energy: -116.875 flat angles P-C4'-P energy: -65.692 tors. eta vs tors. theta energy: -59.259 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: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -817.716150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.716150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.716150 (E_RNA) where: Base-Base interactions energy: -331.601 where: short stacking energy: -226.189 Base-Backbone interact. energy: 6.462 local terms energy: -492.577274 where: bonds (distance) C4'-P energy: -155.392 bonds (distance) P-C4' energy: -141.631 flat angles C4'-P-C4' energy: -116.425 flat angles P-C4'-P energy: -78.423 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: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -785.590963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.590963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.590963 (E_RNA) where: Base-Base interactions energy: -376.952 where: short stacking energy: -235.658 Base-Backbone interact. energy: 12.673 local terms energy: -421.312036 where: bonds (distance) C4'-P energy: -117.704 bonds (distance) P-C4' energy: -144.582 flat angles C4'-P-C4' energy: -114.084 flat angles P-C4'-P energy: -61.079 tors. eta vs tors. theta energy: 16.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2861.420668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.420668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.420668 (E_RNA) where: Base-Base interactions energy: -1974.663 where: short stacking energy: -836.238 Base-Backbone interact. energy: 4.532 local terms energy: -891.290373 where: bonds (distance) C4'-P energy: -158.252 bonds (distance) P-C4' energy: -161.113 flat angles C4'-P-C4' energy: -195.961 flat angles P-C4'-P energy: -133.915 tors. eta vs tors. theta energy: -242.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2814.847726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.847726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.847726 (E_RNA) where: Base-Base interactions energy: -1966.925 where: short stacking energy: -803.366 Base-Backbone interact. energy: -5.815 local terms energy: -842.108339 where: bonds (distance) C4'-P energy: -142.841 bonds (distance) P-C4' energy: -161.949 flat angles C4'-P-C4' energy: -173.233 flat angles P-C4'-P energy: -129.817 tors. eta vs tors. theta energy: -234.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2690.045928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.045928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.045928 (E_RNA) where: Base-Base interactions energy: -1872.856 where: short stacking energy: -814.442 Base-Backbone interact. energy: -0.008 local terms energy: -817.182489 where: bonds (distance) C4'-P energy: -149.902 bonds (distance) P-C4' energy: -147.165 flat angles C4'-P-C4' energy: -169.626 flat angles P-C4'-P energy: -118.439 tors. eta vs tors. theta energy: -232.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2628.338698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.338698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.338698 (E_RNA) where: Base-Base interactions energy: -1802.557 where: short stacking energy: -775.947 Base-Backbone interact. energy: -1.352 local terms energy: -824.429676 where: bonds (distance) C4'-P energy: -144.296 bonds (distance) P-C4' energy: -156.669 flat angles C4'-P-C4' energy: -180.465 flat angles P-C4'-P energy: -120.696 tors. eta vs tors. theta energy: -222.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2244.003856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.003856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.003856 (E_RNA) where: Base-Base interactions energy: -1493.869 where: short stacking energy: -671.903 Base-Backbone interact. energy: -0.227 local terms energy: -749.907450 where: bonds (distance) C4'-P energy: -152.259 bonds (distance) P-C4' energy: -151.615 flat angles C4'-P-C4' energy: -158.790 flat angles P-C4'-P energy: -112.777 tors. eta vs tors. theta energy: -174.467 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: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2110.991247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.991247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.991247 (E_RNA) where: Base-Base interactions energy: -1398.712 where: short stacking energy: -618.492 Base-Backbone interact. energy: -2.100 local terms energy: -710.178976 where: bonds (distance) C4'-P energy: -149.564 bonds (distance) P-C4' energy: -142.414 flat angles C4'-P-C4' energy: -147.007 flat angles P-C4'-P energy: -90.418 tors. eta vs tors. theta energy: -180.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1763.503436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.503436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.503436 (E_RNA) where: Base-Base interactions energy: -1091.300 where: short stacking energy: -509.477 Base-Backbone interact. energy: -6.467 local terms energy: -665.735621 where: bonds (distance) C4'-P energy: -150.020 bonds (distance) P-C4' energy: -151.787 flat angles C4'-P-C4' energy: -144.697 flat angles P-C4'-P energy: -97.391 tors. eta vs tors. theta energy: -121.841 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: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1257.912883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.912883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.912883 (E_RNA) where: Base-Base interactions energy: -736.953 where: short stacking energy: -365.515 Base-Backbone interact. energy: -0.174 local terms energy: -520.785260 where: bonds (distance) C4'-P energy: -134.548 bonds (distance) P-C4' energy: -140.759 flat angles C4'-P-C4' energy: -116.008 flat angles P-C4'-P energy: -83.402 tors. eta vs tors. theta energy: -46.069 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: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -748.099160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.099160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.099160 (E_RNA) where: Base-Base interactions energy: -306.359 where: short stacking energy: -199.711 Base-Backbone interact. energy: 6.989 local terms energy: -448.729153 where: bonds (distance) C4'-P energy: -123.260 bonds (distance) P-C4' energy: -154.117 flat angles C4'-P-C4' energy: -129.572 flat angles P-C4'-P energy: -56.605 tors. eta vs tors. theta energy: 14.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -791.742054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.742054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.742054 (E_RNA) where: Base-Base interactions energy: -363.749 where: short stacking energy: -226.915 Base-Backbone interact. energy: 4.882 local terms energy: -432.874520 where: bonds (distance) C4'-P energy: -102.910 bonds (distance) P-C4' energy: -151.060 flat angles C4'-P-C4' energy: -133.960 flat angles P-C4'-P energy: -51.582 tors. eta vs tors. theta energy: 6.638 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: 7 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2886.072952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.072952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.072952 (E_RNA) where: Base-Base interactions energy: -1990.119 where: short stacking energy: -836.812 Base-Backbone interact. energy: -5.047 local terms energy: -890.906842 where: bonds (distance) C4'-P energy: -167.849 bonds (distance) P-C4' energy: -149.227 flat angles C4'-P-C4' energy: -199.980 flat angles P-C4'-P energy: -119.179 tors. eta vs tors. theta energy: -254.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2793.731029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.731029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.731029 (E_RNA) where: Base-Base interactions energy: -1924.956 where: short stacking energy: -818.201 Base-Backbone interact. energy: 0.727 local terms energy: -869.501660 where: bonds (distance) C4'-P energy: -157.818 bonds (distance) P-C4' energy: -162.842 flat angles C4'-P-C4' energy: -186.843 flat angles P-C4'-P energy: -127.283 tors. eta vs tors. theta energy: -234.716 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: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2689.908579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.908579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.908579 (E_RNA) where: Base-Base interactions energy: -1859.864 where: short stacking energy: -768.809 Base-Backbone interact. energy: -0.841 local terms energy: -829.203703 where: bonds (distance) C4'-P energy: -148.645 bonds (distance) P-C4' energy: -161.470 flat angles C4'-P-C4' energy: -182.943 flat angles P-C4'-P energy: -108.208 tors. eta vs tors. theta energy: -227.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2626.485481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.485481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.485481 (E_RNA) where: Base-Base interactions energy: -1805.358 where: short stacking energy: -759.794 Base-Backbone interact. energy: -7.500 local terms energy: -813.627036 where: bonds (distance) C4'-P energy: -139.643 bonds (distance) P-C4' energy: -148.904 flat angles C4'-P-C4' energy: -176.427 flat angles P-C4'-P energy: -116.154 tors. eta vs tors. theta energy: -232.500 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: 10 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2267.636679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.636679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.636679 (E_RNA) where: Base-Base interactions energy: -1554.727 where: short stacking energy: -657.387 Base-Backbone interact. energy: 3.971 local terms energy: -716.881374 where: bonds (distance) C4'-P energy: -139.375 bonds (distance) P-C4' energy: -139.202 flat angles C4'-P-C4' energy: -154.455 flat angles P-C4'-P energy: -105.120 tors. eta vs tors. theta energy: -178.730 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: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2110.590733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.590733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.590733 (E_RNA) where: Base-Base interactions energy: -1410.429 where: short stacking energy: -599.892 Base-Backbone interact. energy: -2.593 local terms energy: -697.569115 where: bonds (distance) C4'-P energy: -156.642 bonds (distance) P-C4' energy: -153.594 flat angles C4'-P-C4' energy: -143.542 flat angles P-C4'-P energy: -92.026 tors. eta vs tors. theta energy: -151.765 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: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1708.035238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.035238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.035238 (E_RNA) where: Base-Base interactions energy: -1109.018 where: short stacking energy: -486.969 Base-Backbone interact. energy: -1.835 local terms energy: -597.182175 where: bonds (distance) C4'-P energy: -110.354 bonds (distance) P-C4' energy: -149.316 flat angles C4'-P-C4' energy: -151.940 flat angles P-C4'-P energy: -88.426 tors. eta vs tors. theta energy: -97.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1308.111924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.111924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.111924 (E_RNA) where: Base-Base interactions energy: -787.857 where: short stacking energy: -381.467 Base-Backbone interact. energy: 0.403 local terms energy: -520.658093 where: bonds (distance) C4'-P energy: -138.946 bonds (distance) P-C4' energy: -123.733 flat angles C4'-P-C4' energy: -121.627 flat angles P-C4'-P energy: -69.930 tors. eta vs tors. theta energy: -66.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -802.096341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.096341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.096341 (E_RNA) where: Base-Base interactions energy: -340.940 where: short stacking energy: -257.095 Base-Backbone interact. energy: 1.991 local terms energy: -463.146825 where: bonds (distance) C4'-P energy: -118.169 bonds (distance) P-C4' energy: -132.371 flat angles C4'-P-C4' energy: -123.998 flat angles P-C4'-P energy: -77.337 tors. eta vs tors. theta energy: -11.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -753.930559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.930559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.930559 (E_RNA) where: Base-Base interactions energy: -335.499 where: short stacking energy: -227.056 Base-Backbone interact. energy: 1.490 local terms energy: -419.922021 where: bonds (distance) C4'-P energy: -123.088 bonds (distance) P-C4' energy: -136.623 flat angles C4'-P-C4' energy: -93.485 flat angles P-C4'-P energy: -83.707 tors. eta vs tors. theta energy: 16.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2875.422109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.422109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.422109 (E_RNA) where: Base-Base interactions energy: -1969.259 where: short stacking energy: -848.168 Base-Backbone interact. energy: -1.808 local terms energy: -904.355265 where: bonds (distance) C4'-P energy: -165.190 bonds (distance) P-C4' energy: -173.964 flat angles C4'-P-C4' energy: -190.229 flat angles P-C4'-P energy: -116.216 tors. eta vs tors. theta energy: -258.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2812.129994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.129994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.129994 (E_RNA) where: Base-Base interactions energy: -1942.081 where: short stacking energy: -827.832 Base-Backbone interact. energy: -2.892 local terms energy: -867.157376 where: bonds (distance) C4'-P energy: -166.308 bonds (distance) P-C4' energy: -166.606 flat angles C4'-P-C4' energy: -187.148 flat angles P-C4'-P energy: -109.933 tors. eta vs tors. theta energy: -237.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2662.440207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.440207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.440207 (E_RNA) where: Base-Base interactions energy: -1807.612 where: short stacking energy: -743.141 Base-Backbone interact. energy: -6.369 local terms energy: -848.458443 where: bonds (distance) C4'-P energy: -148.501 bonds (distance) P-C4' energy: -172.849 flat angles C4'-P-C4' energy: -183.773 flat angles P-C4'-P energy: -129.160 tors. eta vs tors. theta energy: -214.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2646.662690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.662690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.662690 (E_RNA) where: Base-Base interactions energy: -1807.803 where: short stacking energy: -770.825 Base-Backbone interact. energy: -2.259 local terms energy: -836.601103 where: bonds (distance) C4'-P energy: -151.170 bonds (distance) P-C4' energy: -159.914 flat angles C4'-P-C4' energy: -179.791 flat angles P-C4'-P energy: -112.887 tors. eta vs tors. theta energy: -232.840 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: 10 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2311.889397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.889397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.889397 (E_RNA) where: Base-Base interactions energy: -1549.445 where: short stacking energy: -682.511 Base-Backbone interact. energy: -2.634 local terms energy: -759.810176 where: bonds (distance) C4'-P energy: -158.248 bonds (distance) P-C4' energy: -149.297 flat angles C4'-P-C4' energy: -158.416 flat angles P-C4'-P energy: -99.895 tors. eta vs tors. theta energy: -193.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2113.489161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.489161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.489161 (E_RNA) where: Base-Base interactions energy: -1405.564 where: short stacking energy: -616.420 Base-Backbone interact. energy: 6.028 local terms energy: -713.952645 where: bonds (distance) C4'-P energy: -136.298 bonds (distance) P-C4' energy: -129.194 flat angles C4'-P-C4' energy: -174.626 flat angles P-C4'-P energy: -102.963 tors. eta vs tors. theta energy: -170.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1744.297480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.297480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.297480 (E_RNA) where: Base-Base interactions energy: -1112.488 where: short stacking energy: -476.294 Base-Backbone interact. energy: -2.576 local terms energy: -629.232779 where: bonds (distance) C4'-P energy: -149.380 bonds (distance) P-C4' energy: -161.064 flat angles C4'-P-C4' energy: -146.854 flat angles P-C4'-P energy: -81.850 tors. eta vs tors. theta energy: -90.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1321.237707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.237707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.237707 (E_RNA) where: Base-Base interactions energy: -793.114 where: short stacking energy: -375.989 Base-Backbone interact. energy: -1.141 local terms energy: -526.982503 where: bonds (distance) C4'-P energy: -136.044 bonds (distance) P-C4' energy: -123.796 flat angles C4'-P-C4' energy: -115.609 flat angles P-C4'-P energy: -89.374 tors. eta vs tors. theta energy: -62.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -774.702601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.702601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.702601 (E_RNA) where: Base-Base interactions energy: -309.372 where: short stacking energy: -223.764 Base-Backbone interact. energy: 0.193 local terms energy: -465.523745 where: bonds (distance) C4'-P energy: -149.655 bonds (distance) P-C4' energy: -147.469 flat angles C4'-P-C4' energy: -111.466 flat angles P-C4'-P energy: -73.034 tors. eta vs tors. theta energy: 16.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -835.171310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.171310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.171310 (E_RNA) where: Base-Base interactions energy: -392.429 where: short stacking energy: -222.081 Base-Backbone interact. energy: -2.742 local terms energy: -440.000698 where: bonds (distance) C4'-P energy: -125.575 bonds (distance) P-C4' energy: -137.978 flat angles C4'-P-C4' energy: -130.051 flat angles P-C4'-P energy: -56.822 tors. eta vs tors. theta energy: 10.425 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: 7 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2883.491071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.491071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.491071 (E_RNA) where: Base-Base interactions energy: -1988.243 where: short stacking energy: -835.069 Base-Backbone interact. energy: -4.283 local terms energy: -890.964849 where: bonds (distance) C4'-P energy: -167.768 bonds (distance) P-C4' energy: -163.421 flat angles C4'-P-C4' energy: -192.946 flat angles P-C4'-P energy: -117.512 tors. eta vs tors. theta energy: -249.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2819.562878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.562878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.562878 (E_RNA) where: Base-Base interactions energy: -1966.927 where: short stacking energy: -822.867 Base-Backbone interact. energy: 3.078 local terms energy: -855.713496 where: bonds (distance) C4'-P energy: -142.605 bonds (distance) P-C4' energy: -169.486 flat angles C4'-P-C4' energy: -190.558 flat angles P-C4'-P energy: -118.613 tors. eta vs tors. theta energy: -234.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2679.701641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.701641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.701641 (E_RNA) where: Base-Base interactions energy: -1835.214 where: short stacking energy: -765.737 Base-Backbone interact. energy: -5.416 local terms energy: -839.071430 where: bonds (distance) C4'-P energy: -158.284 bonds (distance) P-C4' energy: -162.801 flat angles C4'-P-C4' energy: -186.406 flat angles P-C4'-P energy: -109.689 tors. eta vs tors. theta energy: -221.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2619.154415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.154415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.154415 (E_RNA) where: Base-Base interactions energy: -1787.318 where: short stacking energy: -760.179 Base-Backbone interact. energy: -5.351 local terms energy: -826.485088 where: bonds (distance) C4'-P energy: -156.251 bonds (distance) P-C4' energy: -149.424 flat angles C4'-P-C4' energy: -179.971 flat angles P-C4'-P energy: -120.396 tors. eta vs tors. theta energy: -220.444 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: 5, replica: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2277.254907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.254907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.254907 (E_RNA) where: Base-Base interactions energy: -1505.403 where: short stacking energy: -655.922 Base-Backbone interact. energy: 0.593 local terms energy: -772.444497 where: bonds (distance) C4'-P energy: -143.320 bonds (distance) P-C4' energy: -173.479 flat angles C4'-P-C4' energy: -169.498 flat angles P-C4'-P energy: -103.559 tors. eta vs tors. theta energy: -182.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2028.389015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.389015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.389015 (E_RNA) where: Base-Base interactions energy: -1332.111 where: short stacking energy: -571.309 Base-Backbone interact. energy: 0.181 local terms energy: -696.459659 where: bonds (distance) C4'-P energy: -141.044 bonds (distance) P-C4' energy: -132.126 flat angles C4'-P-C4' energy: -157.467 flat angles P-C4'-P energy: -121.816 tors. eta vs tors. theta energy: -144.006 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: 344 Temperature: 1.200000 Total energy: -1722.017694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.017694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.017694 (E_RNA) where: Base-Base interactions energy: -1078.788 where: short stacking energy: -486.498 Base-Backbone interact. energy: -0.383 local terms energy: -642.847195 where: bonds (distance) C4'-P energy: -146.046 bonds (distance) P-C4' energy: -143.921 flat angles C4'-P-C4' energy: -155.595 flat angles P-C4'-P energy: -84.830 tors. eta vs tors. theta energy: -112.455 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: 344 Temperature: 1.250000 Total energy: -1354.148145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.148145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.148145 (E_RNA) where: Base-Base interactions energy: -829.128 where: short stacking energy: -400.226 Base-Backbone interact. energy: -0.133 local terms energy: -524.886617 where: bonds (distance) C4'-P energy: -127.846 bonds (distance) P-C4' energy: -139.092 flat angles C4'-P-C4' energy: -141.104 flat angles P-C4'-P energy: -61.971 tors. eta vs tors. theta energy: -54.873 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: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -826.172476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.172476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.172476 (E_RNA) where: Base-Base interactions energy: -390.099 where: short stacking energy: -231.509 Base-Backbone interact. energy: 10.422 local terms energy: -446.495278 where: bonds (distance) C4'-P energy: -136.392 bonds (distance) P-C4' energy: -140.125 flat angles C4'-P-C4' energy: -122.763 flat angles P-C4'-P energy: -67.981 tors. eta vs tors. theta energy: 20.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -738.410507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.410507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.410507 (E_RNA) where: Base-Base interactions energy: -309.760 where: short stacking energy: -203.445 Base-Backbone interact. energy: 3.590 local terms energy: -432.240925 where: bonds (distance) C4'-P energy: -134.163 bonds (distance) P-C4' energy: -144.770 flat angles C4'-P-C4' energy: -113.584 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: 1.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2890.481247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.481247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.481247 (E_RNA) where: Base-Base interactions energy: -2001.150 where: short stacking energy: -850.987 Base-Backbone interact. energy: -3.008 local terms energy: -886.323675 where: bonds (distance) C4'-P energy: -161.657 bonds (distance) P-C4' energy: -166.234 flat angles C4'-P-C4' energy: -185.659 flat angles P-C4'-P energy: -123.282 tors. eta vs tors. theta energy: -249.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2780.846808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.846808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.846808 (E_RNA) where: Base-Base interactions energy: -1917.871 where: short stacking energy: -815.367 Base-Backbone interact. energy: -3.918 local terms energy: -859.057344 where: bonds (distance) C4'-P energy: -172.337 bonds (distance) P-C4' energy: -128.179 flat angles C4'-P-C4' energy: -181.819 flat angles P-C4'-P energy: -131.222 tors. eta vs tors. theta energy: -245.500 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: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2680.354151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.354151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.354151 (E_RNA) where: Base-Base interactions energy: -1866.959 where: short stacking energy: -743.110 Base-Backbone interact. energy: -3.135 local terms energy: -810.260236 where: bonds (distance) C4'-P energy: -146.095 bonds (distance) P-C4' energy: -137.773 flat angles C4'-P-C4' energy: -186.714 flat angles P-C4'-P energy: -111.177 tors. eta vs tors. theta energy: -228.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2627.774386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.774386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.774386 (E_RNA) where: Base-Base interactions energy: -1807.566 where: short stacking energy: -756.641 Base-Backbone interact. energy: -2.353 local terms energy: -817.855287 where: bonds (distance) C4'-P energy: -156.377 bonds (distance) P-C4' energy: -152.493 flat angles C4'-P-C4' energy: -171.718 flat angles P-C4'-P energy: -120.794 tors. eta vs tors. theta energy: -216.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2318.844869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.844869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.844869 (E_RNA) where: Base-Base interactions energy: -1584.850 where: short stacking energy: -647.832 Base-Backbone interact. energy: 6.851 local terms energy: -740.845389 where: bonds (distance) C4'-P energy: -155.815 bonds (distance) P-C4' energy: -145.559 flat angles C4'-P-C4' energy: -164.290 flat angles P-C4'-P energy: -102.769 tors. eta vs tors. theta energy: -172.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2026.295315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.295315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.295315 (E_RNA) where: Base-Base interactions energy: -1333.912 where: short stacking energy: -581.941 Base-Backbone interact. energy: 0.960 local terms energy: -693.342657 where: bonds (distance) C4'-P energy: -144.497 bonds (distance) P-C4' energy: -155.677 flat angles C4'-P-C4' energy: -155.681 flat angles P-C4'-P energy: -95.435 tors. eta vs tors. theta energy: -142.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1716.652318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.652318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.652318 (E_RNA) where: Base-Base interactions energy: -1099.514 where: short stacking energy: -434.574 Base-Backbone interact. energy: 1.896 local terms energy: -619.034398 where: bonds (distance) C4'-P energy: -137.476 bonds (distance) P-C4' energy: -165.778 flat angles C4'-P-C4' energy: -123.708 flat angles P-C4'-P energy: -94.614 tors. eta vs tors. theta energy: -97.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1369.755835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.755835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.755835 (E_RNA) where: Base-Base interactions energy: -832.622 where: short stacking energy: -374.598 Base-Backbone interact. energy: 10.674 local terms energy: -547.807365 where: bonds (distance) C4'-P energy: -118.263 bonds (distance) P-C4' energy: -170.235 flat angles C4'-P-C4' energy: -109.923 flat angles P-C4'-P energy: -98.066 tors. eta vs tors. theta energy: -51.320 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: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -877.694373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.694373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.694373 (E_RNA) where: Base-Base interactions energy: -399.980 where: short stacking energy: -243.262 Base-Backbone interact. energy: -0.270 local terms energy: -477.443950 where: bonds (distance) C4'-P energy: -130.152 bonds (distance) P-C4' energy: -141.312 flat angles C4'-P-C4' energy: -139.109 flat angles P-C4'-P energy: -57.387 tors. eta vs tors. theta energy: -9.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -715.735231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.735231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.735231 (E_RNA) where: Base-Base interactions energy: -312.765 where: short stacking energy: -210.831 Base-Backbone interact. energy: -2.467 local terms energy: -400.503101 where: bonds (distance) C4'-P energy: -121.864 bonds (distance) P-C4' energy: -121.566 flat angles C4'-P-C4' energy: -123.513 flat angles P-C4'-P energy: -49.182 tors. eta vs tors. theta energy: 15.621 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: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2897.739145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.739145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.739145 (E_RNA) where: Base-Base interactions energy: -2004.464 where: short stacking energy: -824.611 Base-Backbone interact. energy: -4.710 local terms energy: -888.565320 where: bonds (distance) C4'-P energy: -167.276 bonds (distance) P-C4' energy: -171.170 flat angles C4'-P-C4' energy: -200.380 flat angles P-C4'-P energy: -115.793 tors. eta vs tors. theta energy: -233.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2798.686171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.686171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.686171 (E_RNA) where: Base-Base interactions energy: -1936.293 where: short stacking energy: -832.786 Base-Backbone interact. energy: -0.000 local terms energy: -862.392388 where: bonds (distance) C4'-P energy: -152.226 bonds (distance) P-C4' energy: -155.499 flat angles C4'-P-C4' energy: -184.905 flat angles P-C4'-P energy: -120.806 tors. eta vs tors. theta energy: -248.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2693.008383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.008383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.008383 (E_RNA) where: Base-Base interactions energy: -1869.493 where: short stacking energy: -816.091 Base-Backbone interact. energy: -6.140 local terms energy: -817.375489 where: bonds (distance) C4'-P energy: -142.050 bonds (distance) P-C4' energy: -147.786 flat angles C4'-P-C4' energy: -176.731 flat angles P-C4'-P energy: -121.511 tors. eta vs tors. theta energy: -229.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2626.748008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.748008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.748008 (E_RNA) where: Base-Base interactions energy: -1822.584 where: short stacking energy: -768.037 Base-Backbone interact. energy: -0.582 local terms energy: -803.582327 where: bonds (distance) C4'-P energy: -144.124 bonds (distance) P-C4' energy: -146.038 flat angles C4'-P-C4' energy: -178.215 flat angles P-C4'-P energy: -124.820 tors. eta vs tors. theta energy: -210.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2279.407932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.407932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.407932 (E_RNA) where: Base-Base interactions energy: -1548.517 where: short stacking energy: -668.218 Base-Backbone interact. energy: -1.317 local terms energy: -729.574561 where: bonds (distance) C4'-P energy: -134.414 bonds (distance) P-C4' energy: -153.869 flat angles C4'-P-C4' energy: -158.698 flat angles P-C4'-P energy: -109.577 tors. eta vs tors. theta energy: -173.017 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: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2003.994524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.994524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.994524 (E_RNA) where: Base-Base interactions energy: -1331.449 where: short stacking energy: -568.951 Base-Backbone interact. energy: 0.865 local terms energy: -673.411048 where: bonds (distance) C4'-P energy: -139.655 bonds (distance) P-C4' energy: -146.978 flat angles C4'-P-C4' energy: -139.474 flat angles P-C4'-P energy: -93.789 tors. eta vs tors. theta energy: -153.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1787.340493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.340493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.340493 (E_RNA) where: Base-Base interactions energy: -1169.942 where: short stacking energy: -530.937 Base-Backbone interact. energy: -0.572 local terms energy: -616.826477 where: bonds (distance) C4'-P energy: -130.910 bonds (distance) P-C4' energy: -140.882 flat angles C4'-P-C4' energy: -152.992 flat angles P-C4'-P energy: -77.746 tors. eta vs tors. theta energy: -114.297 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: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1348.863734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.863734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.863734 (E_RNA) where: Base-Base interactions energy: -799.322 where: short stacking energy: -384.178 Base-Backbone interact. energy: -1.156 local terms energy: -548.385611 where: bonds (distance) C4'-P energy: -128.860 bonds (distance) P-C4' energy: -141.305 flat angles C4'-P-C4' energy: -134.485 flat angles P-C4'-P energy: -93.660 tors. eta vs tors. theta energy: -50.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -868.600444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.600444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.600444 (E_RNA) where: Base-Base interactions energy: -417.046 where: short stacking energy: -242.030 Base-Backbone interact. energy: 1.548 local terms energy: -453.102668 where: bonds (distance) C4'-P energy: -117.807 bonds (distance) P-C4' energy: -140.066 flat angles C4'-P-C4' energy: -132.386 flat angles P-C4'-P energy: -78.862 tors. eta vs tors. theta energy: 16.017 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: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -703.745732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.745732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.745732 (E_RNA) where: Base-Base interactions energy: -299.148 where: short stacking energy: -202.206 Base-Backbone interact. energy: -2.086 local terms energy: -402.511413 where: bonds (distance) C4'-P energy: -112.732 bonds (distance) P-C4' energy: -144.245 flat angles C4'-P-C4' energy: -95.017 flat angles P-C4'-P energy: -72.693 tors. eta vs tors. theta energy: 22.175 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: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2877.828582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.828582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.828582 (E_RNA) where: Base-Base interactions energy: -2005.808 where: short stacking energy: -805.724 Base-Backbone interact. energy: 0.430 local terms energy: -872.450071 where: bonds (distance) C4'-P energy: -162.198 bonds (distance) P-C4' energy: -154.093 flat angles C4'-P-C4' energy: -186.300 flat angles P-C4'-P energy: -131.731 tors. eta vs tors. theta energy: -238.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2799.379257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.379257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.379257 (E_RNA) where: Base-Base interactions energy: -1926.709 where: short stacking energy: -804.083 Base-Backbone interact. energy: -1.480 local terms energy: -871.191066 where: bonds (distance) C4'-P energy: -151.552 bonds (distance) P-C4' energy: -168.238 flat angles C4'-P-C4' energy: -176.827 flat angles P-C4'-P energy: -125.143 tors. eta vs tors. theta energy: -249.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2674.674905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.674905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.674905 (E_RNA) where: Base-Base interactions energy: -1853.854 where: short stacking energy: -746.211 Base-Backbone interact. energy: 0.245 local terms energy: -821.065910 where: bonds (distance) C4'-P energy: -160.672 bonds (distance) P-C4' energy: -144.801 flat angles C4'-P-C4' energy: -182.370 flat angles P-C4'-P energy: -114.248 tors. eta vs tors. theta energy: -218.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2675.409759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.409759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.409759 (E_RNA) where: Base-Base interactions energy: -1852.144 where: short stacking energy: -760.769 Base-Backbone interact. energy: -5.045 local terms energy: -818.221343 where: bonds (distance) C4'-P energy: -157.516 bonds (distance) P-C4' energy: -148.750 flat angles C4'-P-C4' energy: -185.553 flat angles P-C4'-P energy: -108.056 tors. eta vs tors. theta energy: -218.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2245.530614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.530614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.530614 (E_RNA) where: Base-Base interactions energy: -1500.317 where: short stacking energy: -667.755 Base-Backbone interact. energy: 0.617 local terms energy: -745.831309 where: bonds (distance) C4'-P energy: -160.542 bonds (distance) P-C4' energy: -156.330 flat angles C4'-P-C4' energy: -164.903 flat angles P-C4'-P energy: -100.808 tors. eta vs tors. theta energy: -163.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2032.370744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.370744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.370744 (E_RNA) where: Base-Base interactions energy: -1320.540 where: short stacking energy: -569.705 Base-Backbone interact. energy: -3.205 local terms energy: -708.625778 where: bonds (distance) C4'-P energy: -144.630 bonds (distance) P-C4' energy: -162.977 flat angles C4'-P-C4' energy: -144.626 flat angles P-C4'-P energy: -108.902 tors. eta vs tors. theta energy: -147.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1746.747160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.747160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.747160 (E_RNA) where: Base-Base interactions energy: -1105.615 where: short stacking energy: -484.713 Base-Backbone interact. energy: 1.094 local terms energy: -642.226003 where: bonds (distance) C4'-P energy: -149.481 bonds (distance) P-C4' energy: -153.041 flat angles C4'-P-C4' energy: -145.031 flat angles P-C4'-P energy: -98.440 tors. eta vs tors. theta energy: -96.233 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: 4 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1383.119502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.119502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.119502 (E_RNA) where: Base-Base interactions energy: -834.437 where: short stacking energy: -402.002 Base-Backbone interact. energy: 4.584 local terms energy: -553.266303 where: bonds (distance) C4'-P energy: -127.009 bonds (distance) P-C4' energy: -147.642 flat angles C4'-P-C4' energy: -132.748 flat angles P-C4'-P energy: -86.243 tors. eta vs tors. theta energy: -59.624 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: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -862.436787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.436787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.436787 (E_RNA) where: Base-Base interactions energy: -400.495 where: short stacking energy: -226.885 Base-Backbone interact. energy: 1.625 local terms energy: -463.566103 where: bonds (distance) C4'-P energy: -147.876 bonds (distance) P-C4' energy: -120.848 flat angles C4'-P-C4' energy: -124.121 flat angles P-C4'-P energy: -70.029 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: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -735.162546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.162546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.162546 (E_RNA) where: Base-Base interactions energy: -298.346 where: short stacking energy: -207.012 Base-Backbone interact. energy: -4.501 local terms energy: -432.316286 where: bonds (distance) C4'-P energy: -126.934 bonds (distance) P-C4' energy: -135.161 flat angles C4'-P-C4' energy: -113.502 flat angles P-C4'-P energy: -75.389 tors. eta vs tors. theta energy: 18.670 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: 1, replica: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2897.549881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.549881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.549881 (E_RNA) where: Base-Base interactions energy: -1994.157 where: short stacking energy: -836.272 Base-Backbone interact. energy: 0.937 local terms energy: -904.330232 where: bonds (distance) C4'-P energy: -180.230 bonds (distance) P-C4' energy: -166.108 flat angles C4'-P-C4' energy: -189.677 flat angles P-C4'-P energy: -119.734 tors. eta vs tors. theta energy: -248.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2798.886658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.886658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.886658 (E_RNA) where: Base-Base interactions energy: -1932.272 where: short stacking energy: -819.944 Base-Backbone interact. energy: -1.483 local terms energy: -865.132270 where: bonds (distance) C4'-P energy: -146.621 bonds (distance) P-C4' energy: -166.265 flat angles C4'-P-C4' energy: -175.080 flat angles P-C4'-P energy: -118.428 tors. eta vs tors. theta energy: -258.738 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: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2670.267038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.267038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.267038 (E_RNA) where: Base-Base interactions energy: -1827.666 where: short stacking energy: -749.417 Base-Backbone interact. energy: 0.862 local terms energy: -843.463474 where: bonds (distance) C4'-P energy: -150.845 bonds (distance) P-C4' energy: -168.342 flat angles C4'-P-C4' energy: -190.399 flat angles P-C4'-P energy: -116.767 tors. eta vs tors. theta energy: -217.111 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: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2596.480658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.480658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.480658 (E_RNA) where: Base-Base interactions energy: -1797.181 where: short stacking energy: -742.443 Base-Backbone interact. energy: -2.546 local terms energy: -796.753496 where: bonds (distance) C4'-P energy: -147.352 bonds (distance) P-C4' energy: -136.224 flat angles C4'-P-C4' energy: -180.100 flat angles P-C4'-P energy: -108.065 tors. eta vs tors. theta energy: -225.012 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: 10 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2220.582896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.582896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.582896 (E_RNA) where: Base-Base interactions energy: -1471.408 where: short stacking energy: -637.325 Base-Backbone interact. energy: -0.601 local terms energy: -748.573506 where: bonds (distance) C4'-P energy: -141.327 bonds (distance) P-C4' energy: -161.838 flat angles C4'-P-C4' energy: -163.034 flat angles P-C4'-P energy: -110.122 tors. eta vs tors. theta energy: -172.253 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: 5 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2013.820703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.820703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.820703 (E_RNA) where: Base-Base interactions energy: -1342.558 where: short stacking energy: -594.584 Base-Backbone interact. energy: -2.388 local terms energy: -668.874578 where: bonds (distance) C4'-P energy: -131.468 bonds (distance) P-C4' energy: -146.181 flat angles C4'-P-C4' energy: -157.880 flat angles P-C4'-P energy: -92.233 tors. eta vs tors. theta energy: -141.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1797.872583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.872583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.872583 (E_RNA) where: Base-Base interactions energy: -1192.087 where: short stacking energy: -522.260 Base-Backbone interact. energy: 0.729 local terms energy: -606.514096 where: bonds (distance) C4'-P energy: -132.572 bonds (distance) P-C4' energy: -136.459 flat angles C4'-P-C4' energy: -143.055 flat angles P-C4'-P energy: -74.653 tors. eta vs tors. theta energy: -119.776 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: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1357.104637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.104637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.104637 (E_RNA) where: Base-Base interactions energy: -818.257 where: short stacking energy: -378.409 Base-Backbone interact. energy: -1.236 local terms energy: -537.611623 where: bonds (distance) C4'-P energy: -131.525 bonds (distance) P-C4' energy: -127.178 flat angles C4'-P-C4' energy: -136.880 flat angles P-C4'-P energy: -76.410 tors. eta vs tors. theta energy: -65.619 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: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -808.385675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.385675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.385675 (E_RNA) where: Base-Base interactions energy: -355.751 where: short stacking energy: -229.150 Base-Backbone interact. energy: -2.563 local terms energy: -450.071194 where: bonds (distance) C4'-P energy: -125.205 bonds (distance) P-C4' energy: -138.590 flat angles C4'-P-C4' energy: -123.310 flat angles P-C4'-P energy: -70.695 tors. eta vs tors. theta energy: 7.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -760.445107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.445107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.445107 (E_RNA) where: Base-Base interactions energy: -344.076 where: short stacking energy: -236.619 Base-Backbone interact. energy: -4.459 local terms energy: -411.910071 where: bonds (distance) C4'-P energy: -116.010 bonds (distance) P-C4' energy: -128.227 flat angles C4'-P-C4' energy: -124.553 flat angles P-C4'-P energy: -51.865 tors. eta vs tors. theta energy: 8.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2895.845750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.845750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.845750 (E_RNA) where: Base-Base interactions energy: -2005.997 where: short stacking energy: -810.942 Base-Backbone interact. energy: -1.689 local terms energy: -888.159452 where: bonds (distance) C4'-P energy: -178.651 bonds (distance) P-C4' energy: -165.490 flat angles C4'-P-C4' energy: -183.233 flat angles P-C4'-P energy: -118.392 tors. eta vs tors. theta energy: -242.393 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: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2785.721668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.721668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.721668 (E_RNA) where: Base-Base interactions energy: -1888.612 where: short stacking energy: -816.502 Base-Backbone interact. energy: 2.843 local terms energy: -899.952760 where: bonds (distance) C4'-P energy: -164.476 bonds (distance) P-C4' energy: -167.549 flat angles C4'-P-C4' energy: -195.278 flat angles P-C4'-P energy: -123.644 tors. eta vs tors. theta energy: -249.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2690.021408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.021408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.021408 (E_RNA) where: Base-Base interactions energy: -1862.017 where: short stacking energy: -776.520 Base-Backbone interact. energy: -2.407 local terms energy: -825.598010 where: bonds (distance) C4'-P energy: -141.620 bonds (distance) P-C4' energy: -167.310 flat angles C4'-P-C4' energy: -163.317 flat angles P-C4'-P energy: -125.571 tors. eta vs tors. theta energy: -227.779 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: 349 Temperature: 1.050000 Total energy: -2588.142229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.142229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.142229 (E_RNA) where: Base-Base interactions energy: -1749.491 where: short stacking energy: -743.146 Base-Backbone interact. energy: -3.254 local terms energy: -835.397186 where: bonds (distance) C4'-P energy: -154.291 bonds (distance) P-C4' energy: -160.336 flat angles C4'-P-C4' energy: -176.927 flat angles P-C4'-P energy: -111.250 tors. eta vs tors. theta energy: -232.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2242.884234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.884234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.884234 (E_RNA) where: Base-Base interactions energy: -1503.534 where: short stacking energy: -683.377 Base-Backbone interact. energy: -1.614 local terms energy: -737.736616 where: bonds (distance) C4'-P energy: -137.014 bonds (distance) P-C4' energy: -134.227 flat angles C4'-P-C4' energy: -181.934 flat angles P-C4'-P energy: -98.059 tors. eta vs tors. theta energy: -186.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2003.684634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.684634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.684634 (E_RNA) where: Base-Base interactions energy: -1308.463 where: short stacking energy: -552.488 Base-Backbone interact. energy: 2.292 local terms energy: -697.513810 where: bonds (distance) C4'-P energy: -146.019 bonds (distance) P-C4' energy: -146.268 flat angles C4'-P-C4' energy: -161.005 flat angles P-C4'-P energy: -107.126 tors. eta vs tors. theta energy: -137.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1847.141707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.141707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.141707 (E_RNA) where: Base-Base interactions energy: -1202.583 where: short stacking energy: -503.031 Base-Backbone interact. energy: 2.356 local terms energy: -646.914242 where: bonds (distance) C4'-P energy: -153.201 bonds (distance) P-C4' energy: -145.860 flat angles C4'-P-C4' energy: -149.162 flat angles P-C4'-P energy: -89.129 tors. eta vs tors. theta energy: -109.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1474.957201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.957201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.957201 (E_RNA) where: Base-Base interactions energy: -865.998 where: short stacking energy: -381.916 Base-Backbone interact. energy: -0.348 local terms energy: -608.611978 where: bonds (distance) C4'-P energy: -144.008 bonds (distance) P-C4' energy: -142.684 flat angles C4'-P-C4' energy: -170.760 flat angles P-C4'-P energy: -80.026 tors. eta vs tors. theta energy: -71.134 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: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -883.824918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.824918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.824918 (E_RNA) where: Base-Base interactions energy: -436.229 where: short stacking energy: -258.657 Base-Backbone interact. energy: 7.801 local terms energy: -455.396272 where: bonds (distance) C4'-P energy: -110.151 bonds (distance) P-C4' energy: -142.215 flat angles C4'-P-C4' energy: -133.710 flat angles P-C4'-P energy: -65.961 tors. eta vs tors. theta energy: -3.360 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: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -731.841464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.841464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.841464 (E_RNA) where: Base-Base interactions energy: -325.202 where: short stacking energy: -189.065 Base-Backbone interact. energy: -0.734 local terms energy: -405.905791 where: bonds (distance) C4'-P energy: -141.749 bonds (distance) P-C4' energy: -136.240 flat angles C4'-P-C4' energy: -99.882 flat angles P-C4'-P energy: -54.824 tors. eta vs tors. theta energy: 26.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2895.208313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.208313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.208313 (E_RNA) where: Base-Base interactions energy: -2014.041 where: short stacking energy: -828.477 Base-Backbone interact. energy: -5.855 local terms energy: -875.311975 where: bonds (distance) C4'-P energy: -153.944 bonds (distance) P-C4' energy: -171.298 flat angles C4'-P-C4' energy: -188.238 flat angles P-C4'-P energy: -118.291 tors. eta vs tors. theta energy: -243.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2776.542660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.542660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.542660 (E_RNA) where: Base-Base interactions energy: -1907.895 where: short stacking energy: -829.797 Base-Backbone interact. energy: -0.530 local terms energy: -868.117439 where: bonds (distance) C4'-P energy: -156.447 bonds (distance) P-C4' energy: -147.628 flat angles C4'-P-C4' energy: -188.388 flat angles P-C4'-P energy: -117.238 tors. eta vs tors. theta energy: -258.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2672.196623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.196623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.196623 (E_RNA) where: Base-Base interactions energy: -1848.426 where: short stacking energy: -760.614 Base-Backbone interact. energy: 1.793 local terms energy: -825.563791 where: bonds (distance) C4'-P energy: -154.810 bonds (distance) P-C4' energy: -166.336 flat angles C4'-P-C4' energy: -170.877 flat angles P-C4'-P energy: -116.992 tors. eta vs tors. theta energy: -216.549 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: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2594.722290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.722290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.722290 (E_RNA) where: Base-Base interactions energy: -1812.463 where: short stacking energy: -751.703 Base-Backbone interact. energy: -1.720 local terms energy: -780.539908 where: bonds (distance) C4'-P energy: -142.191 bonds (distance) P-C4' energy: -151.019 flat angles C4'-P-C4' energy: -169.620 flat angles P-C4'-P energy: -100.758 tors. eta vs tors. theta energy: -216.952 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: 5, replica: 10 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2219.609075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.609075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.609075 (E_RNA) where: Base-Base interactions energy: -1490.080 where: short stacking energy: -646.233 Base-Backbone interact. energy: -4.625 local terms energy: -724.904431 where: bonds (distance) C4'-P energy: -146.845 bonds (distance) P-C4' energy: -155.341 flat angles C4'-P-C4' energy: -133.542 flat angles P-C4'-P energy: -112.151 tors. eta vs tors. theta energy: -177.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1934.041429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.041429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.041429 (E_RNA) where: Base-Base interactions energy: -1247.278 where: short stacking energy: -549.372 Base-Backbone interact. energy: -3.212 local terms energy: -683.551710 where: bonds (distance) C4'-P energy: -131.941 bonds (distance) P-C4' energy: -149.484 flat angles C4'-P-C4' energy: -165.914 flat angles P-C4'-P energy: -110.092 tors. eta vs tors. theta energy: -126.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1815.589411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.589411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.589411 (E_RNA) where: Base-Base interactions energy: -1208.848 where: short stacking energy: -524.082 Base-Backbone interact. energy: 6.698 local terms energy: -613.439348 where: bonds (distance) C4'-P energy: -144.824 bonds (distance) P-C4' energy: -137.361 flat angles C4'-P-C4' energy: -139.910 flat angles P-C4'-P energy: -83.405 tors. eta vs tors. theta energy: -107.939 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: 8, replica: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1408.516928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.516928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.516928 (E_RNA) where: Base-Base interactions energy: -839.851 where: short stacking energy: -402.420 Base-Backbone interact. energy: 3.280 local terms energy: -571.946322 where: bonds (distance) C4'-P energy: -138.751 bonds (distance) P-C4' energy: -144.998 flat angles C4'-P-C4' energy: -145.474 flat angles P-C4'-P energy: -85.661 tors. eta vs tors. theta energy: -57.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -865.919240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.919240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.919240 (E_RNA) where: Base-Base interactions energy: -410.240 where: short stacking energy: -240.586 Base-Backbone interact. energy: -3.612 local terms energy: -452.067804 where: bonds (distance) C4'-P energy: -132.420 bonds (distance) P-C4' energy: -133.842 flat angles C4'-P-C4' energy: -127.586 flat angles P-C4'-P energy: -64.109 tors. eta vs tors. theta energy: 5.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -733.352643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.352643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.352643 (E_RNA) where: Base-Base interactions energy: -314.883 where: short stacking energy: -220.135 Base-Backbone interact. energy: 1.420 local terms energy: -419.889596 where: bonds (distance) C4'-P energy: -124.328 bonds (distance) P-C4' energy: -151.245 flat angles C4'-P-C4' energy: -100.132 flat angles P-C4'-P energy: -68.189 tors. eta vs tors. theta energy: 24.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2869.516835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.516835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.516835 (E_RNA) where: Base-Base interactions energy: -1991.436 where: short stacking energy: -846.308 Base-Backbone interact. energy: -4.693 local terms energy: -873.387191 where: bonds (distance) C4'-P energy: -147.152 bonds (distance) P-C4' energy: -171.488 flat angles C4'-P-C4' energy: -183.907 flat angles P-C4'-P energy: -128.496 tors. eta vs tors. theta energy: -242.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2749.063567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.063567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.063567 (E_RNA) where: Base-Base interactions energy: -1902.754 where: short stacking energy: -793.239 Base-Backbone interact. energy: -6.503 local terms energy: -839.806216 where: bonds (distance) C4'-P energy: -143.086 bonds (distance) P-C4' energy: -165.822 flat angles C4'-P-C4' energy: -173.395 flat angles P-C4'-P energy: -115.577 tors. eta vs tors. theta energy: -241.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2689.389067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.389067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.389067 (E_RNA) where: Base-Base interactions energy: -1827.719 where: short stacking energy: -779.243 Base-Backbone interact. energy: -0.489 local terms energy: -861.181155 where: bonds (distance) C4'-P energy: -154.408 bonds (distance) P-C4' energy: -168.617 flat angles C4'-P-C4' energy: -189.446 flat angles P-C4'-P energy: -123.569 tors. eta vs tors. theta energy: -225.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2569.574035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.574035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.574035 (E_RNA) where: Base-Base interactions energy: -1770.031 where: short stacking energy: -752.977 Base-Backbone interact. energy: -1.788 local terms energy: -797.754780 where: bonds (distance) C4'-P energy: -146.979 bonds (distance) P-C4' energy: -150.980 flat angles C4'-P-C4' energy: -166.447 flat angles P-C4'-P energy: -98.072 tors. eta vs tors. theta energy: -235.276 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: 10 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2238.971955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.971955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.971955 (E_RNA) where: Base-Base interactions energy: -1497.694 where: short stacking energy: -683.270 Base-Backbone interact. energy: 0.344 local terms energy: -741.621718 where: bonds (distance) C4'-P energy: -144.099 bonds (distance) P-C4' energy: -150.588 flat angles C4'-P-C4' energy: -158.542 flat angles P-C4'-P energy: -90.965 tors. eta vs tors. theta energy: -197.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1947.611059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.611059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.611059 (E_RNA) where: Base-Base interactions energy: -1297.812 where: short stacking energy: -564.962 Base-Backbone interact. energy: -1.929 local terms energy: -647.870023 where: bonds (distance) C4'-P energy: -125.310 bonds (distance) P-C4' energy: -147.300 flat angles C4'-P-C4' energy: -157.403 flat angles P-C4'-P energy: -95.688 tors. eta vs tors. theta energy: -122.168 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: 351 Temperature: 1.200000 Total energy: -1804.111176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.111176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.111176 (E_RNA) where: Base-Base interactions energy: -1170.960 where: short stacking energy: -499.592 Base-Backbone interact. energy: 0.363 local terms energy: -633.513648 where: bonds (distance) C4'-P energy: -137.791 bonds (distance) P-C4' energy: -144.358 flat angles C4'-P-C4' energy: -146.276 flat angles P-C4'-P energy: -99.385 tors. eta vs tors. theta energy: -105.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1478.417688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.417688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.417688 (E_RNA) where: Base-Base interactions energy: -917.755 where: short stacking energy: -424.401 Base-Backbone interact. energy: 0.383 local terms energy: -561.046053 where: bonds (distance) C4'-P energy: -121.240 bonds (distance) P-C4' energy: -135.563 flat angles C4'-P-C4' energy: -143.910 flat angles P-C4'-P energy: -93.333 tors. eta vs tors. theta energy: -67.001 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: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -860.892644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.892644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.892644 (E_RNA) where: Base-Base interactions energy: -401.221 where: short stacking energy: -265.699 Base-Backbone interact. energy: -2.860 local terms energy: -456.811286 where: bonds (distance) C4'-P energy: -135.159 bonds (distance) P-C4' energy: -125.654 flat angles C4'-P-C4' energy: -130.795 flat angles P-C4'-P energy: -62.728 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -781.218886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.218886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.218886 (E_RNA) where: Base-Base interactions energy: -349.650 where: short stacking energy: -226.654 Base-Backbone interact. energy: 1.156 local terms energy: -432.724879 where: bonds (distance) C4'-P energy: -138.106 bonds (distance) P-C4' energy: -143.884 flat angles C4'-P-C4' energy: -112.392 flat angles P-C4'-P energy: -60.558 tors. eta vs tors. theta energy: 22.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2800.233224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.233224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.233224 (E_RNA) where: Base-Base interactions energy: -1900.410 where: short stacking energy: -803.765 Base-Backbone interact. energy: -4.116 local terms energy: -895.706663 where: bonds (distance) C4'-P energy: -169.483 bonds (distance) P-C4' energy: -157.477 flat angles C4'-P-C4' energy: -188.361 flat angles P-C4'-P energy: -137.511 tors. eta vs tors. theta energy: -242.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2770.651704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.651704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.651704 (E_RNA) where: Base-Base interactions energy: -1902.061 where: short stacking energy: -795.387 Base-Backbone interact. energy: -5.363 local terms energy: -863.228442 where: bonds (distance) C4'-P energy: -155.914 bonds (distance) P-C4' energy: -152.109 flat angles C4'-P-C4' energy: -196.448 flat angles P-C4'-P energy: -122.459 tors. eta vs tors. theta energy: -236.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2699.391563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.391563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.391563 (E_RNA) where: Base-Base interactions energy: -1862.038 where: short stacking energy: -784.128 Base-Backbone interact. energy: -1.987 local terms energy: -835.367193 where: bonds (distance) C4'-P energy: -160.695 bonds (distance) P-C4' energy: -140.099 flat angles C4'-P-C4' energy: -193.861 flat angles P-C4'-P energy: -113.933 tors. eta vs tors. theta energy: -226.779 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: 352 Temperature: 1.050000 Total energy: -2543.898419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.898419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.898419 (E_RNA) where: Base-Base interactions energy: -1762.076 where: short stacking energy: -731.644 Base-Backbone interact. energy: -1.018 local terms energy: -780.805072 where: bonds (distance) C4'-P energy: -161.866 bonds (distance) P-C4' energy: -128.457 flat angles C4'-P-C4' energy: -182.020 flat angles P-C4'-P energy: -93.489 tors. eta vs tors. theta energy: -214.974 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: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2265.091731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.091731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.091731 (E_RNA) where: Base-Base interactions energy: -1504.618 where: short stacking energy: -656.512 Base-Backbone interact. energy: -4.641 local terms energy: -755.832816 where: bonds (distance) C4'-P energy: -140.318 bonds (distance) P-C4' energy: -169.078 flat angles C4'-P-C4' energy: -155.856 flat angles P-C4'-P energy: -105.032 tors. eta vs tors. theta energy: -185.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1900.898046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.898046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.898046 (E_RNA) where: Base-Base interactions energy: -1227.546 where: short stacking energy: -531.349 Base-Backbone interact. energy: 2.764 local terms energy: -676.116614 where: bonds (distance) C4'-P energy: -161.887 bonds (distance) P-C4' energy: -140.536 flat angles C4'-P-C4' energy: -169.381 flat angles P-C4'-P energy: -80.702 tors. eta vs tors. theta energy: -123.610 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: 352 Temperature: 1.200000 Total energy: -1811.826684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.826684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.826684 (E_RNA) where: Base-Base interactions energy: -1193.063 where: short stacking energy: -493.520 Base-Backbone interact. energy: 2.747 local terms energy: -621.511268 where: bonds (distance) C4'-P energy: -136.282 bonds (distance) P-C4' energy: -145.308 flat angles C4'-P-C4' energy: -155.077 flat angles P-C4'-P energy: -66.890 tors. eta vs tors. theta energy: -117.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1482.549529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.549529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.549529 (E_RNA) where: Base-Base interactions energy: -901.408 where: short stacking energy: -395.889 Base-Backbone interact. energy: 9.077 local terms energy: -590.218681 where: bonds (distance) C4'-P energy: -156.468 bonds (distance) P-C4' energy: -144.096 flat angles C4'-P-C4' energy: -134.241 flat angles P-C4'-P energy: -92.327 tors. eta vs tors. theta energy: -63.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -799.578342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.578342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.578342 (E_RNA) where: Base-Base interactions energy: -352.326 where: short stacking energy: -229.313 Base-Backbone interact. energy: -1.918 local terms energy: -445.333923 where: bonds (distance) C4'-P energy: -138.498 bonds (distance) P-C4' energy: -151.936 flat angles C4'-P-C4' energy: -108.824 flat angles P-C4'-P energy: -44.093 tors. eta vs tors. theta energy: -1.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -857.993197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.993197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.993197 (E_RNA) where: Base-Base interactions energy: -417.850 where: short stacking energy: -242.394 Base-Backbone interact. energy: 0.615 local terms energy: -440.757904 where: bonds (distance) C4'-P energy: -117.996 bonds (distance) P-C4' energy: -138.943 flat angles C4'-P-C4' energy: -122.526 flat angles P-C4'-P energy: -64.387 tors. eta vs tors. theta energy: 3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2852.682878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.682878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.682878 (E_RNA) where: Base-Base interactions energy: -1942.155 where: short stacking energy: -853.709 Base-Backbone interact. energy: -0.488 local terms energy: -910.039173 where: bonds (distance) C4'-P energy: -139.853 bonds (distance) P-C4' energy: -171.427 flat angles C4'-P-C4' energy: -196.198 flat angles P-C4'-P energy: -146.828 tors. eta vs tors. theta energy: -255.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2760.020808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.020808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.020808 (E_RNA) where: Base-Base interactions energy: -1902.097 where: short stacking energy: -817.860 Base-Backbone interact. energy: -1.834 local terms energy: -856.089440 where: bonds (distance) C4'-P energy: -152.025 bonds (distance) P-C4' energy: -167.963 flat angles C4'-P-C4' energy: -187.247 flat angles P-C4'-P energy: -128.784 tors. eta vs tors. theta energy: -220.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2701.385176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.385176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.385176 (E_RNA) where: Base-Base interactions energy: -1892.678 where: short stacking energy: -762.375 Base-Backbone interact. energy: 2.409 local terms energy: -811.115941 where: bonds (distance) C4'-P energy: -136.302 bonds (distance) P-C4' energy: -153.094 flat angles C4'-P-C4' energy: -185.350 flat angles P-C4'-P energy: -114.254 tors. eta vs tors. theta energy: -222.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2534.720945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.720945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.720945 (E_RNA) where: Base-Base interactions energy: -1774.321 where: short stacking energy: -728.673 Base-Backbone interact. energy: -2.226 local terms energy: -758.174324 where: bonds (distance) C4'-P energy: -139.758 bonds (distance) P-C4' energy: -150.537 flat angles C4'-P-C4' energy: -168.271 flat angles P-C4'-P energy: -105.094 tors. eta vs tors. theta energy: -194.514 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: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2260.108608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.108608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.108608 (E_RNA) where: Base-Base interactions energy: -1518.793 where: short stacking energy: -640.415 Base-Backbone interact. energy: -0.456 local terms energy: -740.860265 where: bonds (distance) C4'-P energy: -148.545 bonds (distance) P-C4' energy: -134.227 flat angles C4'-P-C4' energy: -174.102 flat angles P-C4'-P energy: -96.929 tors. eta vs tors. theta energy: -187.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1933.458886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.458886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.458886 (E_RNA) where: Base-Base interactions energy: -1258.375 where: short stacking energy: -540.493 Base-Backbone interact. energy: 3.518 local terms energy: -678.601921 where: bonds (distance) C4'-P energy: -160.330 bonds (distance) P-C4' energy: -143.564 flat angles C4'-P-C4' energy: -150.842 flat angles P-C4'-P energy: -89.972 tors. eta vs tors. theta energy: -133.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1844.010653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.010653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.010653 (E_RNA) where: Base-Base interactions energy: -1193.288 where: short stacking energy: -483.501 Base-Backbone interact. energy: -1.426 local terms energy: -649.296524 where: bonds (distance) C4'-P energy: -149.486 bonds (distance) P-C4' energy: -144.912 flat angles C4'-P-C4' energy: -144.934 flat angles P-C4'-P energy: -100.762 tors. eta vs tors. theta energy: -109.202 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: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1383.897790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.897790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.897790 (E_RNA) where: Base-Base interactions energy: -857.802 where: short stacking energy: -389.523 Base-Backbone interact. energy: 2.537 local terms energy: -528.632744 where: bonds (distance) C4'-P energy: -119.084 bonds (distance) P-C4' energy: -124.837 flat angles C4'-P-C4' energy: -126.385 flat angles P-C4'-P energy: -85.374 tors. eta vs tors. theta energy: -72.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -784.620466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.620466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.620466 (E_RNA) where: Base-Base interactions energy: -355.687 where: short stacking energy: -231.653 Base-Backbone interact. energy: -0.640 local terms energy: -428.293536 where: bonds (distance) C4'-P energy: -119.545 bonds (distance) P-C4' energy: -143.394 flat angles C4'-P-C4' energy: -106.256 flat angles P-C4'-P energy: -55.749 tors. eta vs tors. theta energy: -3.349 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: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -809.462196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.462196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.462196 (E_RNA) where: Base-Base interactions energy: -390.743 where: short stacking energy: -239.002 Base-Backbone interact. energy: 0.855 local terms energy: -419.574818 where: bonds (distance) C4'-P energy: -133.573 bonds (distance) P-C4' energy: -129.668 flat angles C4'-P-C4' energy: -123.680 flat angles P-C4'-P energy: -59.219 tors. eta vs tors. theta energy: 26.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2846.545251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.545251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.545251 (E_RNA) where: Base-Base interactions energy: -1984.031 where: short stacking energy: -832.416 Base-Backbone interact. energy: -5.096 local terms energy: -857.417985 where: bonds (distance) C4'-P energy: -165.326 bonds (distance) P-C4' energy: -162.320 flat angles C4'-P-C4' energy: -181.260 flat angles P-C4'-P energy: -107.700 tors. eta vs tors. theta energy: -240.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2776.623958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.623958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.623958 (E_RNA) where: Base-Base interactions energy: -1893.941 where: short stacking energy: -800.022 Base-Backbone interact. energy: -3.146 local terms energy: -879.537282 where: bonds (distance) C4'-P energy: -158.591 bonds (distance) P-C4' energy: -158.790 flat angles C4'-P-C4' energy: -188.015 flat angles P-C4'-P energy: -132.872 tors. eta vs tors. theta energy: -241.269 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: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2726.746464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.746464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.746464 (E_RNA) where: Base-Base interactions energy: -1864.116 where: short stacking energy: -775.238 Base-Backbone interact. energy: -2.510 local terms energy: -860.119613 where: bonds (distance) C4'-P energy: -145.321 bonds (distance) P-C4' energy: -175.833 flat angles C4'-P-C4' energy: -173.863 flat angles P-C4'-P energy: -128.253 tors. eta vs tors. theta energy: -236.850 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: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2553.940231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.940231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.940231 (E_RNA) where: Base-Base interactions energy: -1752.543 where: short stacking energy: -774.817 Base-Backbone interact. energy: -0.636 local terms energy: -800.761341 where: bonds (distance) C4'-P energy: -141.097 bonds (distance) P-C4' energy: -147.844 flat angles C4'-P-C4' energy: -169.127 flat angles P-C4'-P energy: -122.648 tors. eta vs tors. theta energy: -220.046 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: 10 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2309.877022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.877022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.877022 (E_RNA) where: Base-Base interactions energy: -1525.975 where: short stacking energy: -678.642 Base-Backbone interact. energy: -2.955 local terms energy: -780.946783 where: bonds (distance) C4'-P energy: -155.952 bonds (distance) P-C4' energy: -145.594 flat angles C4'-P-C4' energy: -177.351 flat angles P-C4'-P energy: -104.055 tors. eta vs tors. theta energy: -197.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1942.612471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.612471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.612471 (E_RNA) where: Base-Base interactions energy: -1270.689 where: short stacking energy: -562.757 Base-Backbone interact. energy: -2.332 local terms energy: -669.591712 where: bonds (distance) C4'-P energy: -128.689 bonds (distance) P-C4' energy: -167.703 flat angles C4'-P-C4' energy: -142.954 flat angles P-C4'-P energy: -101.371 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: 7, replica: 8 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1758.953865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.953865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.953865 (E_RNA) where: Base-Base interactions energy: -1120.448 where: short stacking energy: -482.182 Base-Backbone interact. energy: -1.504 local terms energy: -637.002478 where: bonds (distance) C4'-P energy: -138.387 bonds (distance) P-C4' energy: -152.693 flat angles C4'-P-C4' energy: -158.164 flat angles P-C4'-P energy: -91.381 tors. eta vs tors. theta energy: -96.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1333.071736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.071736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.071736 (E_RNA) where: Base-Base interactions energy: -790.694 where: short stacking energy: -367.789 Base-Backbone interact. energy: 1.155 local terms energy: -543.532908 where: bonds (distance) C4'-P energy: -123.061 bonds (distance) P-C4' energy: -152.376 flat angles C4'-P-C4' energy: -130.564 flat angles P-C4'-P energy: -87.731 tors. eta vs tors. theta energy: -49.801 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: 6 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -923.621133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.621133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.621133 (E_RNA) where: Base-Base interactions energy: -440.720 where: short stacking energy: -276.333 Base-Backbone interact. energy: 0.418 local terms energy: -483.319646 where: bonds (distance) C4'-P energy: -130.933 bonds (distance) P-C4' energy: -148.117 flat angles C4'-P-C4' energy: -122.539 flat angles P-C4'-P energy: -77.308 tors. eta vs tors. theta energy: -4.423 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: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -732.122543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.122543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.122543 (E_RNA) where: Base-Base interactions energy: -304.097 where: short stacking energy: -211.234 Base-Backbone interact. energy: -0.315 local terms energy: -427.710478 where: bonds (distance) C4'-P energy: -110.284 bonds (distance) P-C4' energy: -153.798 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -73.609 tors. eta vs tors. theta energy: 21.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2873.381927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.381927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.381927 (E_RNA) where: Base-Base interactions energy: -2011.107 where: short stacking energy: -848.115 Base-Backbone interact. energy: -7.575 local terms energy: -854.700025 where: bonds (distance) C4'-P energy: -146.243 bonds (distance) P-C4' energy: -144.818 flat angles C4'-P-C4' energy: -194.152 flat angles P-C4'-P energy: -125.458 tors. eta vs tors. theta energy: -244.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2791.458641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.458641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.458641 (E_RNA) where: Base-Base interactions energy: -1930.112 where: short stacking energy: -839.411 Base-Backbone interact. energy: -1.057 local terms energy: -860.289774 where: bonds (distance) C4'-P energy: -148.584 bonds (distance) P-C4' energy: -161.146 flat angles C4'-P-C4' energy: -173.544 flat angles P-C4'-P energy: -124.700 tors. eta vs tors. theta energy: -252.316 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: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2711.562551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.562551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.562551 (E_RNA) where: Base-Base interactions energy: -1861.738 where: short stacking energy: -812.036 Base-Backbone interact. energy: -1.447 local terms energy: -848.378093 where: bonds (distance) C4'-P energy: -159.214 bonds (distance) P-C4' energy: -162.612 flat angles C4'-P-C4' energy: -192.750 flat angles P-C4'-P energy: -103.706 tors. eta vs tors. theta energy: -230.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2538.161564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.161564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.161564 (E_RNA) where: Base-Base interactions energy: -1744.235 where: short stacking energy: -700.963 Base-Backbone interact. energy: -0.838 local terms energy: -793.088502 where: bonds (distance) C4'-P energy: -146.279 bonds (distance) P-C4' energy: -176.217 flat angles C4'-P-C4' energy: -182.573 flat angles P-C4'-P energy: -102.086 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: 5, replica: 10 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2327.401681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.401681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.401681 (E_RNA) where: Base-Base interactions energy: -1552.153 where: short stacking energy: -674.796 Base-Backbone interact. energy: -1.604 local terms energy: -773.645027 where: bonds (distance) C4'-P energy: -146.570 bonds (distance) P-C4' energy: -147.703 flat angles C4'-P-C4' energy: -165.004 flat angles P-C4'-P energy: -119.828 tors. eta vs tors. theta energy: -194.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1947.171083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.171083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.171083 (E_RNA) where: Base-Base interactions energy: -1258.188 where: short stacking energy: -547.409 Base-Backbone interact. energy: 3.536 local terms energy: -692.519834 where: bonds (distance) C4'-P energy: -140.002 bonds (distance) P-C4' energy: -137.679 flat angles C4'-P-C4' energy: -166.296 flat angles P-C4'-P energy: -113.979 tors. eta vs tors. theta energy: -134.564 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: 8 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1769.044209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.044209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.044209 (E_RNA) where: Base-Base interactions energy: -1142.413 where: short stacking energy: -507.634 Base-Backbone interact. energy: -0.084 local terms energy: -626.547084 where: bonds (distance) C4'-P energy: -103.990 bonds (distance) P-C4' energy: -142.675 flat angles C4'-P-C4' energy: -145.107 flat angles P-C4'-P energy: -108.004 tors. eta vs tors. theta energy: -126.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1283.657306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.657306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.657306 (E_RNA) where: Base-Base interactions energy: -770.282 where: short stacking energy: -353.422 Base-Backbone interact. energy: -6.441 local terms energy: -506.934365 where: bonds (distance) C4'-P energy: -126.635 bonds (distance) P-C4' energy: -124.908 flat angles C4'-P-C4' energy: -135.474 flat angles P-C4'-P energy: -82.321 tors. eta vs tors. theta energy: -37.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -933.410271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.410271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.410271 (E_RNA) where: Base-Base interactions energy: -497.468 where: short stacking energy: -304.439 Base-Backbone interact. energy: 5.435 local terms energy: -441.377588 where: bonds (distance) C4'-P energy: -133.542 bonds (distance) P-C4' energy: -121.486 flat angles C4'-P-C4' energy: -105.391 flat angles P-C4'-P energy: -72.797 tors. eta vs tors. theta energy: -8.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -684.760947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.760947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.760947 (E_RNA) where: Base-Base interactions energy: -263.977 where: short stacking energy: -184.403 Base-Backbone interact. energy: 3.200 local terms energy: -423.984014 where: bonds (distance) C4'-P energy: -135.977 bonds (distance) P-C4' energy: -138.132 flat angles C4'-P-C4' energy: -99.063 flat angles P-C4'-P energy: -68.267 tors. eta vs tors. theta energy: 17.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2895.638962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.638962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.638962 (E_RNA) where: Base-Base interactions energy: -1986.374 where: short stacking energy: -833.775 Base-Backbone interact. energy: -5.212 local terms energy: -904.052640 where: bonds (distance) C4'-P energy: -168.040 bonds (distance) P-C4' energy: -169.798 flat angles C4'-P-C4' energy: -185.298 flat angles P-C4'-P energy: -123.762 tors. eta vs tors. theta energy: -257.155 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: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2794.646342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.646342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.646342 (E_RNA) where: Base-Base interactions energy: -1926.867 where: short stacking energy: -820.618 Base-Backbone interact. energy: 2.559 local terms energy: -870.337910 where: bonds (distance) C4'-P energy: -151.402 bonds (distance) P-C4' energy: -165.744 flat angles C4'-P-C4' energy: -182.294 flat angles P-C4'-P energy: -128.260 tors. eta vs tors. theta energy: -242.638 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: 356 Temperature: 1.000000 Total energy: -2695.106337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.106337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.106337 (E_RNA) where: Base-Base interactions energy: -1845.967 where: short stacking energy: -788.757 Base-Backbone interact. energy: -0.467 local terms energy: -848.672481 where: bonds (distance) C4'-P energy: -161.638 bonds (distance) P-C4' energy: -159.540 flat angles C4'-P-C4' energy: -177.549 flat angles P-C4'-P energy: -115.494 tors. eta vs tors. theta energy: -234.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2521.129994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.129994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.129994 (E_RNA) where: Base-Base interactions energy: -1738.532 where: short stacking energy: -738.002 Base-Backbone interact. energy: 3.071 local terms energy: -785.669479 where: bonds (distance) C4'-P energy: -126.586 bonds (distance) P-C4' energy: -160.943 flat angles C4'-P-C4' energy: -175.588 flat angles P-C4'-P energy: -115.704 tors. eta vs tors. theta energy: -206.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2375.233775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.233775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.233775 (E_RNA) where: Base-Base interactions energy: -1615.540 where: short stacking energy: -697.557 Base-Backbone interact. energy: 2.925 local terms energy: -762.618858 where: bonds (distance) C4'-P energy: -139.909 bonds (distance) P-C4' energy: -139.741 flat angles C4'-P-C4' energy: -165.494 flat angles P-C4'-P energy: -115.736 tors. eta vs tors. theta energy: -201.740 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: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1989.534429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.534429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.534429 (E_RNA) where: Base-Base interactions energy: -1312.113 where: short stacking energy: -599.117 Base-Backbone interact. energy: -1.537 local terms energy: -675.884309 where: bonds (distance) C4'-P energy: -151.369 bonds (distance) P-C4' energy: -134.065 flat angles C4'-P-C4' energy: -139.909 flat angles P-C4'-P energy: -102.773 tors. eta vs tors. theta energy: -147.768 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: 356 Temperature: 1.200000 Total energy: -1756.052956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.052956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.052956 (E_RNA) where: Base-Base interactions energy: -1163.675 where: short stacking energy: -512.698 Base-Backbone interact. energy: -1.987 local terms energy: -590.391219 where: bonds (distance) C4'-P energy: -124.393 bonds (distance) P-C4' energy: -142.877 flat angles C4'-P-C4' energy: -146.652 flat angles P-C4'-P energy: -80.278 tors. eta vs tors. theta energy: -96.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1296.124738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.124738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.124738 (E_RNA) where: Base-Base interactions energy: -767.089 where: short stacking energy: -341.255 Base-Backbone interact. energy: -2.652 local terms energy: -526.383977 where: bonds (distance) C4'-P energy: -125.721 bonds (distance) P-C4' energy: -141.958 flat angles C4'-P-C4' energy: -139.474 flat angles P-C4'-P energy: -82.357 tors. eta vs tors. theta energy: -36.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -899.531824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.531824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.531824 (E_RNA) where: Base-Base interactions energy: -422.653 where: short stacking energy: -245.602 Base-Backbone interact. energy: 0.195 local terms energy: -477.073018 where: bonds (distance) C4'-P energy: -122.667 bonds (distance) P-C4' energy: -134.356 flat angles C4'-P-C4' energy: -131.143 flat angles P-C4'-P energy: -73.156 tors. eta vs tors. theta energy: -15.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -653.937345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.937345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.937345 (E_RNA) where: Base-Base interactions energy: -286.285 where: short stacking energy: -184.558 Base-Backbone interact. energy: 1.572 local terms energy: -369.224144 where: bonds (distance) C4'-P energy: -127.477 bonds (distance) P-C4' energy: -115.163 flat angles C4'-P-C4' energy: -107.367 flat angles P-C4'-P energy: -61.392 tors. eta vs tors. theta energy: 42.175 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: 7 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2872.685365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.685365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.685365 (E_RNA) where: Base-Base interactions energy: -2002.970 where: short stacking energy: -827.653 Base-Backbone interact. energy: -3.669 local terms energy: -866.045515 where: bonds (distance) C4'-P energy: -151.125 bonds (distance) P-C4' energy: -165.473 flat angles C4'-P-C4' energy: -184.566 flat angles P-C4'-P energy: -119.558 tors. eta vs tors. theta energy: -245.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2780.058901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.058901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.058901 (E_RNA) where: Base-Base interactions energy: -1899.018 where: short stacking energy: -805.724 Base-Backbone interact. energy: -4.085 local terms energy: -876.956525 where: bonds (distance) C4'-P energy: -144.982 bonds (distance) P-C4' energy: -183.376 flat angles C4'-P-C4' energy: -195.156 flat angles P-C4'-P energy: -111.372 tors. eta vs tors. theta energy: -242.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2674.587873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.587873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.587873 (E_RNA) where: Base-Base interactions energy: -1852.367 where: short stacking energy: -779.852 Base-Backbone interact. energy: -0.334 local terms energy: -821.886899 where: bonds (distance) C4'-P energy: -157.622 bonds (distance) P-C4' energy: -141.070 flat angles C4'-P-C4' energy: -180.825 flat angles P-C4'-P energy: -111.726 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: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2524.403799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.403799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.403799 (E_RNA) where: Base-Base interactions energy: -1746.034 where: short stacking energy: -716.403 Base-Backbone interact. energy: -5.030 local terms energy: -773.339973 where: bonds (distance) C4'-P energy: -148.635 bonds (distance) P-C4' energy: -144.627 flat angles C4'-P-C4' energy: -165.456 flat angles P-C4'-P energy: -110.512 tors. eta vs tors. theta energy: -204.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2357.562384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.562384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.562384 (E_RNA) where: Base-Base interactions energy: -1618.798 where: short stacking energy: -700.711 Base-Backbone interact. energy: -2.641 local terms energy: -736.123678 where: bonds (distance) C4'-P energy: -135.669 bonds (distance) P-C4' energy: -133.648 flat angles C4'-P-C4' energy: -159.954 flat angles P-C4'-P energy: -106.441 tors. eta vs tors. theta energy: -200.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2001.405076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.405076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.405076 (E_RNA) where: Base-Base interactions energy: -1307.740 where: short stacking energy: -577.568 Base-Backbone interact. energy: -0.016 local terms energy: -693.649234 where: bonds (distance) C4'-P energy: -153.500 bonds (distance) P-C4' energy: -149.924 flat angles C4'-P-C4' energy: -153.389 flat angles P-C4'-P energy: -102.636 tors. eta vs tors. theta energy: -134.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1795.608994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.608994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.608994 (E_RNA) where: Base-Base interactions energy: -1138.427 where: short stacking energy: -499.450 Base-Backbone interact. energy: -3.414 local terms energy: -653.767585 where: bonds (distance) C4'-P energy: -142.251 bonds (distance) P-C4' energy: -154.654 flat angles C4'-P-C4' energy: -154.590 flat angles P-C4'-P energy: -79.353 tors. eta vs tors. theta energy: -122.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1323.265250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.265250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.265250 (E_RNA) where: Base-Base interactions energy: -780.012 where: short stacking energy: -371.047 Base-Backbone interact. energy: -3.133 local terms energy: -540.120817 where: bonds (distance) C4'-P energy: -125.708 bonds (distance) P-C4' energy: -144.883 flat angles C4'-P-C4' energy: -128.879 flat angles P-C4'-P energy: -86.633 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: 6 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -899.044989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.044989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.044989 (E_RNA) where: Base-Base interactions energy: -435.428 where: short stacking energy: -288.143 Base-Backbone interact. energy: 1.602 local terms energy: -465.219557 where: bonds (distance) C4'-P energy: -114.699 bonds (distance) P-C4' energy: -133.887 flat angles C4'-P-C4' energy: -127.808 flat angles P-C4'-P energy: -63.479 tors. eta vs tors. theta energy: -25.347 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: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -712.179707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.179707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.179707 (E_RNA) where: Base-Base interactions energy: -302.683 where: short stacking energy: -191.445 Base-Backbone interact. energy: 8.405 local terms energy: -417.901757 where: bonds (distance) C4'-P energy: -126.972 bonds (distance) P-C4' energy: -125.856 flat angles C4'-P-C4' energy: -88.688 flat angles P-C4'-P energy: -92.012 tors. eta vs tors. theta energy: 15.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2875.892714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.892714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.892714 (E_RNA) where: Base-Base interactions energy: -1979.705 where: short stacking energy: -827.897 Base-Backbone interact. energy: -2.895 local terms energy: -893.293191 where: bonds (distance) C4'-P energy: -157.092 bonds (distance) P-C4' energy: -180.945 flat angles C4'-P-C4' energy: -186.651 flat angles P-C4'-P energy: -123.311 tors. eta vs tors. theta energy: -245.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2830.876221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.876221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.876221 (E_RNA) where: Base-Base interactions energy: -1944.983 where: short stacking energy: -813.969 Base-Backbone interact. energy: -4.142 local terms energy: -881.750617 where: bonds (distance) C4'-P energy: -163.732 bonds (distance) P-C4' energy: -167.929 flat angles C4'-P-C4' energy: -186.184 flat angles P-C4'-P energy: -118.363 tors. eta vs tors. theta energy: -245.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2743.563868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.563868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.563868 (E_RNA) where: Base-Base interactions energy: -1910.148 where: short stacking energy: -806.824 Base-Backbone interact. energy: -3.084 local terms energy: -830.331874 where: bonds (distance) C4'-P energy: -139.099 bonds (distance) P-C4' energy: -165.716 flat angles C4'-P-C4' energy: -175.724 flat angles P-C4'-P energy: -114.283 tors. eta vs tors. theta energy: -235.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2510.215745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.215745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.215745 (E_RNA) where: Base-Base interactions energy: -1753.460 where: short stacking energy: -704.743 Base-Backbone interact. energy: -2.978 local terms energy: -753.777642 where: bonds (distance) C4'-P energy: -136.563 bonds (distance) P-C4' energy: -155.060 flat angles C4'-P-C4' energy: -167.615 flat angles P-C4'-P energy: -89.625 tors. eta vs tors. theta energy: -204.915 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: 10 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2363.503288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.503288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.503288 (E_RNA) where: Base-Base interactions energy: -1586.927 where: short stacking energy: -660.408 Base-Backbone interact. energy: 0.618 local terms energy: -777.194917 where: bonds (distance) C4'-P energy: -161.912 bonds (distance) P-C4' energy: -155.052 flat angles C4'-P-C4' energy: -168.711 flat angles P-C4'-P energy: -109.709 tors. eta vs tors. theta energy: -181.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2014.353665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.353665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.353665 (E_RNA) where: Base-Base interactions energy: -1351.383 where: short stacking energy: -590.206 Base-Backbone interact. energy: -2.141 local terms energy: -660.830182 where: bonds (distance) C4'-P energy: -129.900 bonds (distance) P-C4' energy: -115.805 flat angles C4'-P-C4' energy: -160.106 flat angles P-C4'-P energy: -93.801 tors. eta vs tors. theta energy: -161.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1729.154852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.154852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.154852 (E_RNA) where: Base-Base interactions energy: -1089.183 where: short stacking energy: -460.494 Base-Backbone interact. energy: -3.764 local terms energy: -636.208132 where: bonds (distance) C4'-P energy: -136.325 bonds (distance) P-C4' energy: -156.405 flat angles C4'-P-C4' energy: -152.613 flat angles P-C4'-P energy: -78.567 tors. eta vs tors. theta energy: -112.298 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: 8, replica: 4 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1342.019285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.019285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.019285 (E_RNA) where: Base-Base interactions energy: -823.259 where: short stacking energy: -371.731 Base-Backbone interact. energy: -0.795 local terms energy: -517.965769 where: bonds (distance) C4'-P energy: -128.474 bonds (distance) P-C4' energy: -145.424 flat angles C4'-P-C4' energy: -136.954 flat angles P-C4'-P energy: -55.062 tors. eta vs tors. theta energy: -52.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -785.210999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.210999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.210999 (E_RNA) where: Base-Base interactions energy: -294.765 where: short stacking energy: -220.194 Base-Backbone interact. energy: 0.199 local terms energy: -490.645040 where: bonds (distance) C4'-P energy: -131.424 bonds (distance) P-C4' energy: -130.836 flat angles C4'-P-C4' energy: -116.334 flat angles P-C4'-P energy: -106.643 tors. eta vs tors. theta energy: -5.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -781.227281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.227281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.227281 (E_RNA) where: Base-Base interactions energy: -357.069 where: short stacking energy: -224.491 Base-Backbone interact. energy: -5.976 local terms energy: -418.181781 where: bonds (distance) C4'-P energy: -119.069 bonds (distance) P-C4' energy: -136.135 flat angles C4'-P-C4' energy: -123.723 flat angles P-C4'-P energy: -36.563 tors. eta vs tors. theta energy: -2.692 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: 1, replica: 1 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2869.389004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.389004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.389004 (E_RNA) where: Base-Base interactions energy: -1980.465 where: short stacking energy: -858.709 Base-Backbone interact. energy: -0.079 local terms energy: -888.845658 where: bonds (distance) C4'-P energy: -155.777 bonds (distance) P-C4' energy: -164.984 flat angles C4'-P-C4' energy: -197.655 flat angles P-C4'-P energy: -117.695 tors. eta vs tors. theta energy: -252.734 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: 7 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2800.820082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.820082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.820082 (E_RNA) where: Base-Base interactions energy: -1944.371 where: short stacking energy: -820.568 Base-Backbone interact. energy: -1.739 local terms energy: -854.710022 where: bonds (distance) C4'-P energy: -160.356 bonds (distance) P-C4' energy: -155.689 flat angles C4'-P-C4' energy: -184.088 flat angles P-C4'-P energy: -112.441 tors. eta vs tors. theta energy: -242.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2691.263360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.263360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.263360 (E_RNA) where: Base-Base interactions energy: -1880.887 where: short stacking energy: -788.395 Base-Backbone interact. energy: -4.523 local terms energy: -805.853484 where: bonds (distance) C4'-P energy: -141.643 bonds (distance) P-C4' energy: -162.914 flat angles C4'-P-C4' energy: -167.728 flat angles P-C4'-P energy: -107.129 tors. eta vs tors. theta energy: -226.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2535.484715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.484715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.484715 (E_RNA) where: Base-Base interactions energy: -1746.260 where: short stacking energy: -715.630 Base-Backbone interact. energy: -0.272 local terms energy: -788.952823 where: bonds (distance) C4'-P energy: -140.796 bonds (distance) P-C4' energy: -159.975 flat angles C4'-P-C4' energy: -157.550 flat angles P-C4'-P energy: -125.965 tors. eta vs tors. theta energy: -204.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2377.572249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.572249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.572249 (E_RNA) where: Base-Base interactions energy: -1631.449 where: short stacking energy: -706.332 Base-Backbone interact. energy: -2.533 local terms energy: -743.590654 where: bonds (distance) C4'-P energy: -144.537 bonds (distance) P-C4' energy: -136.783 flat angles C4'-P-C4' energy: -160.679 flat angles P-C4'-P energy: -105.111 tors. eta vs tors. theta energy: -196.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1951.577335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.577335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.577335 (E_RNA) where: Base-Base interactions energy: -1278.649 where: short stacking energy: -558.270 Base-Backbone interact. energy: 3.746 local terms energy: -676.673699 where: bonds (distance) C4'-P energy: -145.957 bonds (distance) P-C4' energy: -146.193 flat angles C4'-P-C4' energy: -146.470 flat angles P-C4'-P energy: -86.636 tors. eta vs tors. theta energy: -151.419 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: 7, replica: 8 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1768.194461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.194461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.194461 (E_RNA) where: Base-Base interactions energy: -1144.257 where: short stacking energy: -514.229 Base-Backbone interact. energy: -0.806 local terms energy: -623.131373 where: bonds (distance) C4'-P energy: -128.209 bonds (distance) P-C4' energy: -138.887 flat angles C4'-P-C4' energy: -143.986 flat angles P-C4'-P energy: -93.431 tors. eta vs tors. theta energy: -118.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1387.315543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.315543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.315543 (E_RNA) where: Base-Base interactions energy: -843.097 where: short stacking energy: -418.944 Base-Backbone interact. energy: -2.012 local terms energy: -542.206107 where: bonds (distance) C4'-P energy: -110.849 bonds (distance) P-C4' energy: -126.028 flat angles C4'-P-C4' energy: -145.633 flat angles P-C4'-P energy: -73.415 tors. eta vs tors. theta energy: -86.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -763.692830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.692830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.692830 (E_RNA) where: Base-Base interactions energy: -359.200 where: short stacking energy: -235.659 Base-Backbone interact. energy: 16.092 local terms energy: -420.584724 where: bonds (distance) C4'-P energy: -115.386 bonds (distance) P-C4' energy: -119.661 flat angles C4'-P-C4' energy: -103.574 flat angles P-C4'-P energy: -75.422 tors. eta vs tors. theta energy: -6.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -737.758322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.758322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.758322 (E_RNA) where: Base-Base interactions energy: -306.306 where: short stacking energy: -228.100 Base-Backbone interact. energy: -2.744 local terms energy: -428.707855 where: bonds (distance) C4'-P energy: -127.221 bonds (distance) P-C4' energy: -134.807 flat angles C4'-P-C4' energy: -109.993 flat angles P-C4'-P energy: -66.147 tors. eta vs tors. theta energy: 9.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2851.238276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.238276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.238276 (E_RNA) where: Base-Base interactions energy: -1973.591 where: short stacking energy: -853.423 Base-Backbone interact. energy: -1.772 local terms energy: -875.875536 where: bonds (distance) C4'-P energy: -164.270 bonds (distance) P-C4' energy: -156.056 flat angles C4'-P-C4' energy: -192.835 flat angles P-C4'-P energy: -118.100 tors. eta vs tors. theta energy: -244.614 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: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2830.441401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.441401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.441401 (E_RNA) where: Base-Base interactions energy: -1968.156 where: short stacking energy: -824.479 Base-Backbone interact. energy: -6.612 local terms energy: -855.673967 where: bonds (distance) C4'-P energy: -168.735 bonds (distance) P-C4' energy: -166.062 flat angles C4'-P-C4' energy: -179.320 flat angles P-C4'-P energy: -110.823 tors. eta vs tors. theta energy: -230.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2675.367061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.367061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.367061 (E_RNA) where: Base-Base interactions energy: -1885.282 where: short stacking energy: -766.871 Base-Backbone interact. energy: -2.614 local terms energy: -787.471426 where: bonds (distance) C4'-P energy: -136.239 bonds (distance) P-C4' energy: -131.545 flat angles C4'-P-C4' energy: -188.907 flat angles P-C4'-P energy: -116.321 tors. eta vs tors. theta energy: -214.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2548.907138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.907138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.907138 (E_RNA) where: Base-Base interactions energy: -1742.829 where: short stacking energy: -700.036 Base-Backbone interact. energy: -0.901 local terms energy: -805.177274 where: bonds (distance) C4'-P energy: -128.578 bonds (distance) P-C4' energy: -167.005 flat angles C4'-P-C4' energy: -170.053 flat angles P-C4'-P energy: -132.156 tors. eta vs tors. theta energy: -207.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2290.884678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.884678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.884678 (E_RNA) where: Base-Base interactions energy: -1536.039 where: short stacking energy: -657.246 Base-Backbone interact. energy: 3.190 local terms energy: -758.036114 where: bonds (distance) C4'-P energy: -143.208 bonds (distance) P-C4' energy: -148.711 flat angles C4'-P-C4' energy: -175.351 flat angles P-C4'-P energy: -102.815 tors. eta vs tors. theta energy: -187.952 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: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2033.850698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.850698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.850698 (E_RNA) where: Base-Base interactions energy: -1390.406 where: short stacking energy: -588.090 Base-Backbone interact. energy: -0.891 local terms energy: -642.553840 where: bonds (distance) C4'-P energy: -124.111 bonds (distance) P-C4' energy: -138.754 flat angles C4'-P-C4' energy: -154.546 flat angles P-C4'-P energy: -83.293 tors. eta vs tors. theta energy: -141.850 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: 360 Temperature: 1.200000 Total energy: -1787.552785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.552785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.552785 (E_RNA) where: Base-Base interactions energy: -1150.801 where: short stacking energy: -526.568 Base-Backbone interact. energy: -2.496 local terms energy: -634.256434 where: bonds (distance) C4'-P energy: -126.991 bonds (distance) P-C4' energy: -129.633 flat angles C4'-P-C4' energy: -160.824 flat angles P-C4'-P energy: -89.063 tors. eta vs tors. theta energy: -127.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1387.935848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.935848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.935848 (E_RNA) where: Base-Base interactions energy: -850.965 where: short stacking energy: -420.899 Base-Backbone interact. energy: 0.948 local terms energy: -537.918997 where: bonds (distance) C4'-P energy: -125.741 bonds (distance) P-C4' energy: -123.353 flat angles C4'-P-C4' energy: -141.175 flat angles P-C4'-P energy: -68.845 tors. eta vs tors. theta energy: -78.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -792.685117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.685117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.685117 (E_RNA) where: Base-Base interactions energy: -361.234 where: short stacking energy: -229.505 Base-Backbone interact. energy: 1.414 local terms energy: -432.865515 where: bonds (distance) C4'-P energy: -113.388 bonds (distance) P-C4' energy: -141.195 flat angles C4'-P-C4' energy: -112.804 flat angles P-C4'-P energy: -76.653 tors. eta vs tors. theta energy: 11.174 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: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -728.850112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.850112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.850112 (E_RNA) where: Base-Base interactions energy: -321.037 where: short stacking energy: -202.973 Base-Backbone interact. energy: 1.735 local terms energy: -409.548313 where: bonds (distance) C4'-P energy: -116.577 bonds (distance) P-C4' energy: -151.361 flat angles C4'-P-C4' energy: -106.704 flat angles P-C4'-P energy: -51.295 tors. eta vs tors. theta energy: 16.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2847.671300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.671300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.671300 (E_RNA) where: Base-Base interactions energy: -1977.368 where: short stacking energy: -837.099 Base-Backbone interact. energy: 2.462 local terms energy: -872.765914 where: bonds (distance) C4'-P energy: -176.857 bonds (distance) P-C4' energy: -149.845 flat angles C4'-P-C4' energy: -194.800 flat angles P-C4'-P energy: -104.812 tors. eta vs tors. theta energy: -246.452 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: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2756.582627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.582627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.582627 (E_RNA) where: Base-Base interactions energy: -1918.993 where: short stacking energy: -798.863 Base-Backbone interact. energy: 0.965 local terms energy: -838.554844 where: bonds (distance) C4'-P energy: -153.349 bonds (distance) P-C4' energy: -143.316 flat angles C4'-P-C4' energy: -181.170 flat angles P-C4'-P energy: -129.454 tors. eta vs tors. theta energy: -231.267 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: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2679.874302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.874302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.874302 (E_RNA) where: Base-Base interactions energy: -1866.529 where: short stacking energy: -754.727 Base-Backbone interact. energy: -0.137 local terms energy: -813.207867 where: bonds (distance) C4'-P energy: -145.739 bonds (distance) P-C4' energy: -165.620 flat angles C4'-P-C4' energy: -165.790 flat angles P-C4'-P energy: -107.011 tors. eta vs tors. theta energy: -229.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2543.434389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.434389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.434389 (E_RNA) where: Base-Base interactions energy: -1783.597 where: short stacking energy: -705.366 Base-Backbone interact. energy: -2.837 local terms energy: -757.000555 where: bonds (distance) C4'-P energy: -136.630 bonds (distance) P-C4' energy: -142.346 flat angles C4'-P-C4' energy: -168.221 flat angles P-C4'-P energy: -105.979 tors. eta vs tors. theta energy: -203.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2300.415211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.415211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.415211 (E_RNA) where: Base-Base interactions energy: -1538.365 where: short stacking energy: -656.164 Base-Backbone interact. energy: -2.360 local terms energy: -759.689336 where: bonds (distance) C4'-P energy: -152.997 bonds (distance) P-C4' energy: -159.594 flat angles C4'-P-C4' energy: -151.889 flat angles P-C4'-P energy: -93.505 tors. eta vs tors. theta energy: -201.706 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: 6, replica: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2007.273741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.273741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.273741 (E_RNA) where: Base-Base interactions energy: -1303.859 where: short stacking energy: -580.003 Base-Backbone interact. energy: 3.954 local terms energy: -707.368432 where: bonds (distance) C4'-P energy: -151.075 bonds (distance) P-C4' energy: -147.344 flat angles C4'-P-C4' energy: -143.243 flat angles P-C4'-P energy: -111.959 tors. eta vs tors. theta energy: -153.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1788.028660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.028660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.028660 (E_RNA) where: Base-Base interactions energy: -1189.287 where: short stacking energy: -520.897 Base-Backbone interact. energy: 2.200 local terms energy: -600.942126 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -153.200 flat angles C4'-P-C4' energy: -141.582 flat angles P-C4'-P energy: -67.674 tors. eta vs tors. theta energy: -101.327 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: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1419.499105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.499105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.499105 (E_RNA) where: Base-Base interactions energy: -873.010 where: short stacking energy: -418.280 Base-Backbone interact. energy: 0.977 local terms energy: -547.465738 where: bonds (distance) C4'-P energy: -113.728 bonds (distance) P-C4' energy: -144.029 flat angles C4'-P-C4' energy: -144.614 flat angles P-C4'-P energy: -75.515 tors. eta vs tors. theta energy: -69.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -861.078578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.078578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.078578 (E_RNA) where: Base-Base interactions energy: -410.328 where: short stacking energy: -219.126 Base-Backbone interact. energy: -1.592 local terms energy: -449.157675 where: bonds (distance) C4'-P energy: -118.412 bonds (distance) P-C4' energy: -141.298 flat angles C4'-P-C4' energy: -118.448 flat angles P-C4'-P energy: -87.304 tors. eta vs tors. theta energy: 16.305 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: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -736.345363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.345363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.345363 (E_RNA) where: Base-Base interactions energy: -302.588 where: short stacking energy: -204.300 Base-Backbone interact. energy: -0.836 local terms energy: -432.921613 where: bonds (distance) C4'-P energy: -115.761 bonds (distance) P-C4' energy: -134.052 flat angles C4'-P-C4' energy: -125.682 flat angles P-C4'-P energy: -66.170 tors. eta vs tors. theta energy: 8.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2825.130593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.130593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.130593 (E_RNA) where: Base-Base interactions energy: -1936.328 where: short stacking energy: -796.039 Base-Backbone interact. energy: -0.053 local terms energy: -888.749871 where: bonds (distance) C4'-P energy: -178.463 bonds (distance) P-C4' energy: -180.788 flat angles C4'-P-C4' energy: -177.498 flat angles P-C4'-P energy: -128.412 tors. eta vs tors. theta energy: -223.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2761.104802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.104802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.104802 (E_RNA) where: Base-Base interactions energy: -1907.608 where: short stacking energy: -828.315 Base-Backbone interact. energy: -2.476 local terms energy: -851.019984 where: bonds (distance) C4'-P energy: -145.721 bonds (distance) P-C4' energy: -155.232 flat angles C4'-P-C4' energy: -178.098 flat angles P-C4'-P energy: -126.936 tors. eta vs tors. theta energy: -245.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2613.969736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.969736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.969736 (E_RNA) where: Base-Base interactions energy: -1782.154 where: short stacking energy: -752.867 Base-Backbone interact. energy: -6.119 local terms energy: -825.696829 where: bonds (distance) C4'-P energy: -155.118 bonds (distance) P-C4' energy: -173.618 flat angles C4'-P-C4' energy: -170.064 flat angles P-C4'-P energy: -115.206 tors. eta vs tors. theta energy: -211.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2604.175975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.175975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.175975 (E_RNA) where: Base-Base interactions energy: -1790.569 where: short stacking energy: -777.770 Base-Backbone interact. energy: -4.134 local terms energy: -809.472872 where: bonds (distance) C4'-P energy: -137.573 bonds (distance) P-C4' energy: -145.085 flat angles C4'-P-C4' energy: -188.706 flat angles P-C4'-P energy: -100.852 tors. eta vs tors. theta energy: -237.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2275.843687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.843687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.843687 (E_RNA) where: Base-Base interactions energy: -1537.937 where: short stacking energy: -660.847 Base-Backbone interact. energy: -2.543 local terms energy: -735.363711 where: bonds (distance) C4'-P energy: -149.079 bonds (distance) P-C4' energy: -139.723 flat angles C4'-P-C4' energy: -166.648 flat angles P-C4'-P energy: -91.096 tors. eta vs tors. theta energy: -188.817 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: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1992.651685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.651685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.651685 (E_RNA) where: Base-Base interactions energy: -1300.692 where: short stacking energy: -610.372 Base-Backbone interact. energy: -1.237 local terms energy: -690.722199 where: bonds (distance) C4'-P energy: -135.326 bonds (distance) P-C4' energy: -148.259 flat angles C4'-P-C4' energy: -155.098 flat angles P-C4'-P energy: -106.872 tors. eta vs tors. theta energy: -145.168 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: 362 Temperature: 1.200000 Total energy: -1724.008214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.008214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.008214 (E_RNA) where: Base-Base interactions energy: -1128.357 where: short stacking energy: -490.164 Base-Backbone interact. energy: -4.618 local terms energy: -591.032839 where: bonds (distance) C4'-P energy: -128.670 bonds (distance) P-C4' energy: -149.828 flat angles C4'-P-C4' energy: -130.321 flat angles P-C4'-P energy: -93.367 tors. eta vs tors. theta energy: -88.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1426.250999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.250999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.250999 (E_RNA) where: Base-Base interactions energy: -895.239 where: short stacking energy: -389.673 Base-Backbone interact. energy: 0.206 local terms energy: -531.217093 where: bonds (distance) C4'-P energy: -114.370 bonds (distance) P-C4' energy: -134.909 flat angles C4'-P-C4' energy: -137.014 flat angles P-C4'-P energy: -72.008 tors. eta vs tors. theta energy: -72.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -929.162677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.162677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.162677 (E_RNA) where: Base-Base interactions energy: -460.224 where: short stacking energy: -245.978 Base-Backbone interact. energy: 5.040 local terms energy: -473.978553 where: bonds (distance) C4'-P energy: -126.341 bonds (distance) P-C4' energy: -171.747 flat angles C4'-P-C4' energy: -113.035 flat angles P-C4'-P energy: -68.626 tors. eta vs tors. theta energy: 5.771 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: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -761.432375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.432375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.432375 (E_RNA) where: Base-Base interactions energy: -358.949 where: short stacking energy: -224.916 Base-Backbone interact. energy: 1.133 local terms energy: -403.615740 where: bonds (distance) C4'-P energy: -126.636 bonds (distance) P-C4' energy: -140.863 flat angles C4'-P-C4' energy: -102.202 flat angles P-C4'-P energy: -57.224 tors. eta vs tors. theta energy: 23.309 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: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2854.508947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.508947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.508947 (E_RNA) where: Base-Base interactions energy: -1968.278 where: short stacking energy: -855.763 Base-Backbone interact. energy: -4.508 local terms energy: -881.722562 where: bonds (distance) C4'-P energy: -156.656 bonds (distance) P-C4' energy: -173.283 flat angles C4'-P-C4' energy: -187.859 flat angles P-C4'-P energy: -124.130 tors. eta vs tors. theta energy: -239.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2782.847583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.847583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.847583 (E_RNA) where: Base-Base interactions energy: -1903.882 where: short stacking energy: -828.923 Base-Backbone interact. energy: -2.931 local terms energy: -876.034483 where: bonds (distance) C4'-P energy: -159.722 bonds (distance) P-C4' energy: -165.888 flat angles C4'-P-C4' energy: -184.668 flat angles P-C4'-P energy: -131.288 tors. eta vs tors. theta energy: -234.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2622.861796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.861796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.861796 (E_RNA) where: Base-Base interactions energy: -1811.487 where: short stacking energy: -757.187 Base-Backbone interact. energy: 1.824 local terms energy: -813.199198 where: bonds (distance) C4'-P energy: -147.335 bonds (distance) P-C4' energy: -145.330 flat angles C4'-P-C4' energy: -181.472 flat angles P-C4'-P energy: -127.639 tors. eta vs tors. theta energy: -211.423 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: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2590.966446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.966446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.966446 (E_RNA) where: Base-Base interactions energy: -1786.427 where: short stacking energy: -731.144 Base-Backbone interact. energy: -2.806 local terms energy: -801.733326 where: bonds (distance) C4'-P energy: -151.896 bonds (distance) P-C4' energy: -145.714 flat angles C4'-P-C4' energy: -173.218 flat angles P-C4'-P energy: -108.733 tors. eta vs tors. theta energy: -222.172 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: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2367.017345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.017345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.017345 (E_RNA) where: Base-Base interactions energy: -1603.006 where: short stacking energy: -704.839 Base-Backbone interact. energy: -3.001 local terms energy: -761.010827 where: bonds (distance) C4'-P energy: -132.580 bonds (distance) P-C4' energy: -154.108 flat angles C4'-P-C4' energy: -181.472 flat angles P-C4'-P energy: -102.577 tors. eta vs tors. theta energy: -190.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2042.802489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.802489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.802489 (E_RNA) where: Base-Base interactions energy: -1323.108 where: short stacking energy: -601.507 Base-Backbone interact. energy: -0.043 local terms energy: -719.651444 where: bonds (distance) C4'-P energy: -133.543 bonds (distance) P-C4' energy: -168.540 flat angles C4'-P-C4' energy: -174.406 flat angles P-C4'-P energy: -94.189 tors. eta vs tors. theta energy: -148.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1780.430793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.430793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.430793 (E_RNA) where: Base-Base interactions energy: -1173.705 where: short stacking energy: -509.809 Base-Backbone interact. energy: -2.606 local terms energy: -604.119899 where: bonds (distance) C4'-P energy: -124.468 bonds (distance) P-C4' energy: -141.866 flat angles C4'-P-C4' energy: -150.136 flat angles P-C4'-P energy: -96.004 tors. eta vs tors. theta energy: -91.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1417.031905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.031905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.031905 (E_RNA) where: Base-Base interactions energy: -867.053 where: short stacking energy: -408.042 Base-Backbone interact. energy: 0.846 local terms energy: -550.825581 where: bonds (distance) C4'-P energy: -134.542 bonds (distance) P-C4' energy: -116.741 flat angles C4'-P-C4' energy: -131.936 flat angles P-C4'-P energy: -96.137 tors. eta vs tors. theta energy: -71.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -849.761551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.761551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.761551 (E_RNA) where: Base-Base interactions energy: -392.540 where: short stacking energy: -226.296 Base-Backbone interact. energy: -6.196 local terms energy: -451.025681 where: bonds (distance) C4'-P energy: -133.399 bonds (distance) P-C4' energy: -124.681 flat angles C4'-P-C4' energy: -130.699 flat angles P-C4'-P energy: -77.119 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: 10, replica: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -827.943786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.943786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.943786 (E_RNA) where: Base-Base interactions energy: -370.475 where: short stacking energy: -235.546 Base-Backbone interact. energy: 2.346 local terms energy: -459.814168 where: bonds (distance) C4'-P energy: -134.044 bonds (distance) P-C4' energy: -126.933 flat angles C4'-P-C4' energy: -112.105 flat angles P-C4'-P energy: -74.207 tors. eta vs tors. theta energy: -12.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2858.535453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.535453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.535453 (E_RNA) where: Base-Base interactions energy: -1986.794 where: short stacking energy: -828.546 Base-Backbone interact. energy: -2.957 local terms energy: -868.784241 where: bonds (distance) C4'-P energy: -150.327 bonds (distance) P-C4' energy: -166.482 flat angles C4'-P-C4' energy: -180.186 flat angles P-C4'-P energy: -130.491 tors. eta vs tors. theta energy: -241.298 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: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2784.385179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.385179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.385179 (E_RNA) where: Base-Base interactions energy: -1925.361 where: short stacking energy: -798.123 Base-Backbone interact. energy: 1.341 local terms energy: -860.364868 where: bonds (distance) C4'-P energy: -139.511 bonds (distance) P-C4' energy: -165.985 flat angles C4'-P-C4' energy: -194.903 flat angles P-C4'-P energy: -128.557 tors. eta vs tors. theta energy: -231.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2640.902563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.902563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.902563 (E_RNA) where: Base-Base interactions energy: -1820.471 where: short stacking energy: -756.164 Base-Backbone interact. energy: -7.671 local terms energy: -812.761063 where: bonds (distance) C4'-P energy: -141.146 bonds (distance) P-C4' energy: -163.259 flat angles C4'-P-C4' energy: -160.359 flat angles P-C4'-P energy: -121.131 tors. eta vs tors. theta energy: -226.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2613.332218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.332218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.332218 (E_RNA) where: Base-Base interactions energy: -1809.768 where: short stacking energy: -774.535 Base-Backbone interact. energy: -3.167 local terms energy: -800.396668 where: bonds (distance) C4'-P energy: -155.227 bonds (distance) P-C4' energy: -151.959 flat angles C4'-P-C4' energy: -167.534 flat angles P-C4'-P energy: -103.196 tors. eta vs tors. theta energy: -222.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2356.682834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.682834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.682834 (E_RNA) where: Base-Base interactions energy: -1598.926 where: short stacking energy: -703.238 Base-Backbone interact. energy: 3.199 local terms energy: -760.955316 where: bonds (distance) C4'-P energy: -143.527 bonds (distance) P-C4' energy: -157.745 flat angles C4'-P-C4' energy: -162.587 flat angles P-C4'-P energy: -105.883 tors. eta vs tors. theta energy: -191.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2020.892306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.892306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.892306 (E_RNA) where: Base-Base interactions energy: -1336.758 where: short stacking energy: -582.036 Base-Backbone interact. energy: 4.438 local terms energy: -688.571649 where: bonds (distance) C4'-P energy: -143.750 bonds (distance) P-C4' energy: -141.817 flat angles C4'-P-C4' energy: -151.408 flat angles P-C4'-P energy: -105.493 tors. eta vs tors. theta energy: -146.104 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: 8 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1786.389205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.389205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.389205 (E_RNA) where: Base-Base interactions energy: -1155.522 where: short stacking energy: -484.984 Base-Backbone interact. energy: 1.948 local terms energy: -632.815740 where: bonds (distance) C4'-P energy: -130.165 bonds (distance) P-C4' energy: -142.972 flat angles C4'-P-C4' energy: -142.767 flat angles P-C4'-P energy: -94.196 tors. eta vs tors. theta energy: -122.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1499.650341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.650341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.650341 (E_RNA) where: Base-Base interactions energy: -886.429 where: short stacking energy: -425.448 Base-Backbone interact. energy: -3.748 local terms energy: -609.472656 where: bonds (distance) C4'-P energy: -135.636 bonds (distance) P-C4' energy: -136.212 flat angles C4'-P-C4' energy: -158.295 flat angles P-C4'-P energy: -99.276 tors. eta vs tors. theta energy: -80.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -889.935799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.935799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.935799 (E_RNA) where: Base-Base interactions energy: -416.278 where: short stacking energy: -269.919 Base-Backbone interact. energy: 5.957 local terms energy: -479.614414 where: bonds (distance) C4'-P energy: -147.377 bonds (distance) P-C4' energy: -140.797 flat angles C4'-P-C4' energy: -88.657 flat angles P-C4'-P energy: -88.693 tors. eta vs tors. theta energy: -14.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -803.577950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.577950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.577950 (E_RNA) where: Base-Base interactions energy: -368.609 where: short stacking energy: -221.166 Base-Backbone interact. energy: 1.894 local terms energy: -436.863605 where: bonds (distance) C4'-P energy: -122.050 bonds (distance) P-C4' energy: -138.999 flat angles C4'-P-C4' energy: -99.689 flat angles P-C4'-P energy: -96.043 tors. eta vs tors. theta energy: 19.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2874.200148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.200148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.200148 (E_RNA) where: Base-Base interactions energy: -1971.682 where: short stacking energy: -833.919 Base-Backbone interact. energy: -2.575 local terms energy: -899.943922 where: bonds (distance) C4'-P energy: -167.850 bonds (distance) P-C4' energy: -162.648 flat angles C4'-P-C4' energy: -185.900 flat angles P-C4'-P energy: -137.987 tors. eta vs tors. theta energy: -245.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2783.836845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.836845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.836845 (E_RNA) where: Base-Base interactions energy: -1910.409 where: short stacking energy: -817.116 Base-Backbone interact. energy: -0.987 local terms energy: -872.440708 where: bonds (distance) C4'-P energy: -150.041 bonds (distance) P-C4' energy: -165.389 flat angles C4'-P-C4' energy: -192.575 flat angles P-C4'-P energy: -132.153 tors. eta vs tors. theta energy: -232.282 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: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2682.635888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.635888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.635888 (E_RNA) where: Base-Base interactions energy: -1819.421 where: short stacking energy: -766.427 Base-Backbone interact. energy: -0.156 local terms energy: -863.058734 where: bonds (distance) C4'-P energy: -163.394 bonds (distance) P-C4' energy: -164.855 flat angles C4'-P-C4' energy: -186.788 flat angles P-C4'-P energy: -124.522 tors. eta vs tors. theta energy: -223.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2602.263357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.263357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.263357 (E_RNA) where: Base-Base interactions energy: -1794.867 where: short stacking energy: -767.836 Base-Backbone interact. energy: -1.058 local terms energy: -806.338210 where: bonds (distance) C4'-P energy: -145.191 bonds (distance) P-C4' energy: -151.456 flat angles C4'-P-C4' energy: -174.688 flat angles P-C4'-P energy: -104.305 tors. eta vs tors. theta energy: -230.698 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: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2387.025565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.025565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.025565 (E_RNA) where: Base-Base interactions energy: -1617.878 where: short stacking energy: -692.636 Base-Backbone interact. energy: -2.269 local terms energy: -766.879110 where: bonds (distance) C4'-P energy: -151.705 bonds (distance) P-C4' energy: -150.094 flat angles C4'-P-C4' energy: -167.646 flat angles P-C4'-P energy: -105.944 tors. eta vs tors. theta energy: -191.489 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: 6, replica: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2014.131575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.131575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.131575 (E_RNA) where: Base-Base interactions energy: -1349.761 where: short stacking energy: -584.509 Base-Backbone interact. energy: -4.121 local terms energy: -660.249118 where: bonds (distance) C4'-P energy: -121.941 bonds (distance) P-C4' energy: -126.464 flat angles C4'-P-C4' energy: -146.800 flat angles P-C4'-P energy: -111.649 tors. eta vs tors. theta energy: -153.395 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: 8 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1731.112342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.112342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.112342 (E_RNA) where: Base-Base interactions energy: -1108.491 where: short stacking energy: -484.351 Base-Backbone interact. energy: -1.181 local terms energy: -621.440588 where: bonds (distance) C4'-P energy: -123.180 bonds (distance) P-C4' energy: -139.429 flat angles C4'-P-C4' energy: -153.193 flat angles P-C4'-P energy: -86.116 tors. eta vs tors. theta energy: -119.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1392.127954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.127954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.127954 (E_RNA) where: Base-Base interactions energy: -848.510 where: short stacking energy: -398.873 Base-Backbone interact. energy: -0.259 local terms energy: -543.358844 where: bonds (distance) C4'-P energy: -116.675 bonds (distance) P-C4' energy: -142.827 flat angles C4'-P-C4' energy: -118.051 flat angles P-C4'-P energy: -94.226 tors. eta vs tors. theta energy: -71.579 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: 6 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -937.312742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.312742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.312742 (E_RNA) where: Base-Base interactions energy: -463.604 where: short stacking energy: -238.255 Base-Backbone interact. energy: 0.196 local terms energy: -473.905402 where: bonds (distance) C4'-P energy: -126.055 bonds (distance) P-C4' energy: -149.597 flat angles C4'-P-C4' energy: -128.915 flat angles P-C4'-P energy: -54.063 tors. eta vs tors. theta energy: -15.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -807.587275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.587275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.587275 (E_RNA) where: Base-Base interactions energy: -387.675 where: short stacking energy: -223.398 Base-Backbone interact. energy: 3.416 local terms energy: -423.327794 where: bonds (distance) C4'-P energy: -135.470 bonds (distance) P-C4' energy: -141.001 flat angles C4'-P-C4' energy: -111.234 flat angles P-C4'-P energy: -38.824 tors. eta vs tors. theta energy: 3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2912.817219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.817219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.817219 (E_RNA) where: Base-Base interactions energy: -2001.898 where: short stacking energy: -839.012 Base-Backbone interact. energy: -0.024 local terms energy: -910.894715 where: bonds (distance) C4'-P energy: -158.537 bonds (distance) P-C4' energy: -175.644 flat angles C4'-P-C4' energy: -194.479 flat angles P-C4'-P energy: -130.418 tors. eta vs tors. theta energy: -251.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2823.545516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.545516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.545516 (E_RNA) where: Base-Base interactions energy: -1956.271 where: short stacking energy: -815.881 Base-Backbone interact. energy: -4.415 local terms energy: -862.859304 where: bonds (distance) C4'-P energy: -149.847 bonds (distance) P-C4' energy: -164.381 flat angles C4'-P-C4' energy: -179.689 flat angles P-C4'-P energy: -119.891 tors. eta vs tors. theta energy: -249.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2668.338260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.338260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.338260 (E_RNA) where: Base-Base interactions energy: -1819.995 where: short stacking energy: -789.793 Base-Backbone interact. energy: 3.439 local terms energy: -851.782389 where: bonds (distance) C4'-P energy: -153.185 bonds (distance) P-C4' energy: -163.915 flat angles C4'-P-C4' energy: -182.922 flat angles P-C4'-P energy: -120.017 tors. eta vs tors. theta energy: -231.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2599.418853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.418853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.418853 (E_RNA) where: Base-Base interactions energy: -1778.879 where: short stacking energy: -760.127 Base-Backbone interact. energy: -3.759 local terms energy: -816.781123 where: bonds (distance) C4'-P energy: -158.996 bonds (distance) P-C4' energy: -150.395 flat angles C4'-P-C4' energy: -175.656 flat angles P-C4'-P energy: -107.647 tors. eta vs tors. theta energy: -224.086 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: 5, replica: 10 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2351.934047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.934047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.934047 (E_RNA) where: Base-Base interactions energy: -1612.001 where: short stacking energy: -681.624 Base-Backbone interact. energy: 0.276 local terms energy: -740.208421 where: bonds (distance) C4'-P energy: -135.262 bonds (distance) P-C4' energy: -170.286 flat angles C4'-P-C4' energy: -152.282 flat angles P-C4'-P energy: -95.595 tors. eta vs tors. theta energy: -186.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2013.378026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.378026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.378026 (E_RNA) where: Base-Base interactions energy: -1348.167 where: short stacking energy: -572.659 Base-Backbone interact. energy: 5.088 local terms energy: -670.299205 where: bonds (distance) C4'-P energy: -133.447 bonds (distance) P-C4' energy: -154.623 flat angles C4'-P-C4' energy: -157.789 flat angles P-C4'-P energy: -103.535 tors. eta vs tors. theta energy: -120.905 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: 7, replica: 8 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1791.081933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.081933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.081933 (E_RNA) where: Base-Base interactions energy: -1154.213 where: short stacking energy: -489.835 Base-Backbone interact. energy: -0.160 local terms energy: -636.709174 where: bonds (distance) C4'-P energy: -157.748 bonds (distance) P-C4' energy: -148.091 flat angles C4'-P-C4' energy: -143.154 flat angles P-C4'-P energy: -94.219 tors. eta vs tors. theta energy: -93.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1402.023984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.023984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.023984 (E_RNA) where: Base-Base interactions energy: -840.997 where: short stacking energy: -423.949 Base-Backbone interact. energy: 3.348 local terms energy: -564.374482 where: bonds (distance) C4'-P energy: -145.250 bonds (distance) P-C4' energy: -153.143 flat angles C4'-P-C4' energy: -143.961 flat angles P-C4'-P energy: -59.678 tors. eta vs tors. theta energy: -62.343 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: 9, replica: 6 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -926.557701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.557701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.557701 (E_RNA) where: Base-Base interactions energy: -468.207 where: short stacking energy: -255.487 Base-Backbone interact. energy: 2.717 local terms energy: -461.068114 where: bonds (distance) C4'-P energy: -135.640 bonds (distance) P-C4' energy: -134.677 flat angles C4'-P-C4' energy: -123.649 flat angles P-C4'-P energy: -76.878 tors. eta vs tors. theta energy: 9.776 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: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -770.059349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.059349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.059349 (E_RNA) where: Base-Base interactions energy: -371.681 where: short stacking energy: -214.287 Base-Backbone interact. energy: -1.846 local terms energy: -396.531797 where: bonds (distance) C4'-P energy: -122.958 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -113.832 flat angles P-C4'-P energy: -56.455 tors. eta vs tors. theta energy: 32.352 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: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2892.869451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.869451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.869451 (E_RNA) where: Base-Base interactions energy: -2025.119 where: short stacking energy: -840.492 Base-Backbone interact. energy: -6.461 local terms energy: -861.289465 where: bonds (distance) C4'-P energy: -150.198 bonds (distance) P-C4' energy: -163.010 flat angles C4'-P-C4' energy: -195.769 flat angles P-C4'-P energy: -116.217 tors. eta vs tors. theta energy: -236.094 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: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2772.871209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.871209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.871209 (E_RNA) where: Base-Base interactions energy: -1895.017 where: short stacking energy: -817.918 Base-Backbone interact. energy: -2.103 local terms energy: -875.751674 where: bonds (distance) C4'-P energy: -160.631 bonds (distance) P-C4' energy: -164.947 flat angles C4'-P-C4' energy: -175.946 flat angles P-C4'-P energy: -121.397 tors. eta vs tors. theta energy: -252.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2670.731379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.731379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.731379 (E_RNA) where: Base-Base interactions energy: -1855.874 where: short stacking energy: -778.063 Base-Backbone interact. energy: -0.266 local terms energy: -814.591100 where: bonds (distance) C4'-P energy: -140.759 bonds (distance) P-C4' energy: -162.237 flat angles C4'-P-C4' energy: -175.268 flat angles P-C4'-P energy: -119.862 tors. eta vs tors. theta energy: -216.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2558.878164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.878164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.878164 (E_RNA) where: Base-Base interactions energy: -1762.515 where: short stacking energy: -744.735 Base-Backbone interact. energy: -4.203 local terms energy: -792.160013 where: bonds (distance) C4'-P energy: -153.867 bonds (distance) P-C4' energy: -152.855 flat angles C4'-P-C4' energy: -163.412 flat angles P-C4'-P energy: -110.882 tors. eta vs tors. theta energy: -211.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2331.742573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.742573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.742573 (E_RNA) where: Base-Base interactions energy: -1565.377 where: short stacking energy: -648.444 Base-Backbone interact. energy: -2.132 local terms energy: -764.233892 where: bonds (distance) C4'-P energy: -153.239 bonds (distance) P-C4' energy: -146.723 flat angles C4'-P-C4' energy: -171.704 flat angles P-C4'-P energy: -94.478 tors. eta vs tors. theta energy: -198.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2058.761218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.761218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.761218 (E_RNA) where: Base-Base interactions energy: -1344.460 where: short stacking energy: -615.332 Base-Backbone interact. energy: 2.322 local terms energy: -716.622530 where: bonds (distance) C4'-P energy: -144.056 bonds (distance) P-C4' energy: -145.740 flat angles C4'-P-C4' energy: -169.284 flat angles P-C4'-P energy: -103.202 tors. eta vs tors. theta energy: -154.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1785.652156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.652156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.652156 (E_RNA) where: Base-Base interactions energy: -1146.757 where: short stacking energy: -537.245 Base-Backbone interact. energy: 5.706 local terms energy: -644.601146 where: bonds (distance) C4'-P energy: -141.092 bonds (distance) P-C4' energy: -165.170 flat angles C4'-P-C4' energy: -139.276 flat angles P-C4'-P energy: -78.898 tors. eta vs tors. theta energy: -120.167 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: 8, replica: 4 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1421.310020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.310020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.310020 (E_RNA) where: Base-Base interactions energy: -861.513 where: short stacking energy: -386.126 Base-Backbone interact. energy: -4.205 local terms energy: -555.591145 where: bonds (distance) C4'-P energy: -146.860 bonds (distance) P-C4' energy: -152.058 flat angles C4'-P-C4' energy: -127.940 flat angles P-C4'-P energy: -72.004 tors. eta vs tors. theta energy: -56.729 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: 6 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -958.119788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.119788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.119788 (E_RNA) where: Base-Base interactions energy: -466.316 where: short stacking energy: -271.547 Base-Backbone interact. energy: 7.701 local terms energy: -499.504599 where: bonds (distance) C4'-P energy: -147.815 bonds (distance) P-C4' energy: -152.607 flat angles C4'-P-C4' energy: -132.756 flat angles P-C4'-P energy: -68.778 tors. eta vs tors. theta energy: 2.453 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: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -811.514597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.514597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.514597 (E_RNA) where: Base-Base interactions energy: -394.793 where: short stacking energy: -210.539 Base-Backbone interact. energy: 4.327 local terms energy: -421.048856 where: bonds (distance) C4'-P energy: -137.495 bonds (distance) P-C4' energy: -134.453 flat angles C4'-P-C4' energy: -120.656 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: 40.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2869.234176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.234176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.234176 (E_RNA) where: Base-Base interactions energy: -1994.643 where: short stacking energy: -834.207 Base-Backbone interact. energy: -1.822 local terms energy: -872.768618 where: bonds (distance) C4'-P energy: -155.665 bonds (distance) P-C4' energy: -163.487 flat angles C4'-P-C4' energy: -186.102 flat angles P-C4'-P energy: -122.708 tors. eta vs tors. theta energy: -244.807 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: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2789.392504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.392504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.392504 (E_RNA) where: Base-Base interactions energy: -1909.424 where: short stacking energy: -827.576 Base-Backbone interact. energy: -3.123 local terms energy: -876.845860 where: bonds (distance) C4'-P energy: -148.628 bonds (distance) P-C4' energy: -169.549 flat angles C4'-P-C4' energy: -177.445 flat angles P-C4'-P energy: -128.814 tors. eta vs tors. theta energy: -252.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2661.081169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.081169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.081169 (E_RNA) where: Base-Base interactions energy: -1828.009 where: short stacking energy: -768.752 Base-Backbone interact. energy: 0.201 local terms energy: -833.273266 where: bonds (distance) C4'-P energy: -164.887 bonds (distance) P-C4' energy: -154.815 flat angles C4'-P-C4' energy: -190.310 flat angles P-C4'-P energy: -100.915 tors. eta vs tors. theta energy: -222.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2563.017135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.017135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.017135 (E_RNA) where: Base-Base interactions energy: -1754.317 where: short stacking energy: -725.513 Base-Backbone interact. energy: -2.489 local terms energy: -806.210874 where: bonds (distance) C4'-P energy: -158.401 bonds (distance) P-C4' energy: -162.203 flat angles C4'-P-C4' energy: -177.177 flat angles P-C4'-P energy: -109.534 tors. eta vs tors. theta energy: -198.896 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: 10 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2325.176353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.176353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.176353 (E_RNA) where: Base-Base interactions energy: -1567.640 where: short stacking energy: -651.810 Base-Backbone interact. energy: -1.033 local terms energy: -756.502925 where: bonds (distance) C4'-P energy: -150.084 bonds (distance) P-C4' energy: -146.315 flat angles C4'-P-C4' energy: -163.057 flat angles P-C4'-P energy: -112.173 tors. eta vs tors. theta energy: -184.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2081.508771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.508771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.508771 (E_RNA) where: Base-Base interactions energy: -1362.371 where: short stacking energy: -590.619 Base-Backbone interact. energy: 2.545 local terms energy: -721.682903 where: bonds (distance) C4'-P energy: -147.853 bonds (distance) P-C4' energy: -160.371 flat angles C4'-P-C4' energy: -165.464 flat angles P-C4'-P energy: -88.459 tors. eta vs tors. theta energy: -159.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1761.586291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.586291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.586291 (E_RNA) where: Base-Base interactions energy: -1128.424 where: short stacking energy: -514.364 Base-Backbone interact. energy: -1.413 local terms energy: -631.748579 where: bonds (distance) C4'-P energy: -144.285 bonds (distance) P-C4' energy: -132.406 flat angles C4'-P-C4' energy: -157.008 flat angles P-C4'-P energy: -85.560 tors. eta vs tors. theta energy: -112.489 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: 4 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1365.914704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.914704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.914704 (E_RNA) where: Base-Base interactions energy: -811.789 where: short stacking energy: -379.679 Base-Backbone interact. energy: -2.301 local terms energy: -551.824480 where: bonds (distance) C4'-P energy: -140.164 bonds (distance) P-C4' energy: -150.816 flat angles C4'-P-C4' energy: -128.009 flat angles P-C4'-P energy: -71.440 tors. eta vs tors. theta energy: -61.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1034.101762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.101762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.101762 (E_RNA) where: Base-Base interactions energy: -544.305 where: short stacking energy: -282.106 Base-Backbone interact. energy: 1.646 local terms energy: -491.443059 where: bonds (distance) C4'-P energy: -147.675 bonds (distance) P-C4' energy: -125.933 flat angles C4'-P-C4' energy: -124.921 flat angles P-C4'-P energy: -80.850 tors. eta vs tors. theta energy: -12.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -894.408536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.408536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.408536 (E_RNA) where: Base-Base interactions energy: -428.491 where: short stacking energy: -238.258 Base-Backbone interact. energy: -1.881 local terms energy: -464.036622 where: bonds (distance) C4'-P energy: -133.024 bonds (distance) P-C4' energy: -155.057 flat angles C4'-P-C4' energy: -121.460 flat angles P-C4'-P energy: -66.558 tors. eta vs tors. theta energy: 12.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2885.716241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.716241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.716241 (E_RNA) where: Base-Base interactions energy: -1998.173 where: short stacking energy: -853.701 Base-Backbone interact. energy: -6.155 local terms energy: -881.388429 where: bonds (distance) C4'-P energy: -165.232 bonds (distance) P-C4' energy: -164.974 flat angles C4'-P-C4' energy: -175.451 flat angles P-C4'-P energy: -129.943 tors. eta vs tors. theta energy: -245.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2754.670424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.670424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.670424 (E_RNA) where: Base-Base interactions energy: -1889.927 where: short stacking energy: -808.586 Base-Backbone interact. energy: -2.933 local terms energy: -861.810505 where: bonds (distance) C4'-P energy: -169.660 bonds (distance) P-C4' energy: -163.678 flat angles C4'-P-C4' energy: -175.321 flat angles P-C4'-P energy: -107.649 tors. eta vs tors. theta energy: -245.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2668.521723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.521723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.521723 (E_RNA) where: Base-Base interactions energy: -1863.309 where: short stacking energy: -772.413 Base-Backbone interact. energy: -5.647 local terms energy: -799.565363 where: bonds (distance) C4'-P energy: -143.079 bonds (distance) P-C4' energy: -142.108 flat angles C4'-P-C4' energy: -177.605 flat angles P-C4'-P energy: -111.932 tors. eta vs tors. theta energy: -224.841 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: 2 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2574.244905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.244905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.244905 (E_RNA) where: Base-Base interactions energy: -1780.903 where: short stacking energy: -737.144 Base-Backbone interact. energy: -1.698 local terms energy: -791.643867 where: bonds (distance) C4'-P energy: -144.447 bonds (distance) P-C4' energy: -148.279 flat angles C4'-P-C4' energy: -171.718 flat angles P-C4'-P energy: -112.582 tors. eta vs tors. theta energy: -214.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2266.000390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.000390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.000390 (E_RNA) where: Base-Base interactions energy: -1519.181 where: short stacking energy: -649.848 Base-Backbone interact. energy: 0.056 local terms energy: -746.875306 where: bonds (distance) C4'-P energy: -149.691 bonds (distance) P-C4' energy: -146.167 flat angles C4'-P-C4' energy: -170.234 flat angles P-C4'-P energy: -102.399 tors. eta vs tors. theta energy: -178.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2089.048552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.048552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.048552 (E_RNA) where: Base-Base interactions energy: -1390.770 where: short stacking energy: -614.058 Base-Backbone interact. energy: -0.797 local terms energy: -697.481803 where: bonds (distance) C4'-P energy: -122.789 bonds (distance) P-C4' energy: -130.171 flat angles C4'-P-C4' energy: -170.647 flat angles P-C4'-P energy: -116.295 tors. eta vs tors. theta energy: -157.580 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: 369 Temperature: 1.200000 Total energy: -1692.338606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.338606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.338606 (E_RNA) where: Base-Base interactions energy: -1049.244 where: short stacking energy: -490.608 Base-Backbone interact. energy: 2.958 local terms energy: -646.051892 where: bonds (distance) C4'-P energy: -128.399 bonds (distance) P-C4' energy: -129.683 flat angles C4'-P-C4' energy: -155.926 flat angles P-C4'-P energy: -105.216 tors. eta vs tors. theta energy: -126.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1317.962823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.962823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.962823 (E_RNA) where: Base-Base interactions energy: -763.784 where: short stacking energy: -364.357 Base-Backbone interact. energy: -2.392 local terms energy: -551.786817 where: bonds (distance) C4'-P energy: -130.783 bonds (distance) P-C4' energy: -145.311 flat angles C4'-P-C4' energy: -134.871 flat angles P-C4'-P energy: -83.457 tors. eta vs tors. theta energy: -57.365 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: 6 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1099.673022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.673022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.673022 (E_RNA) where: Base-Base interactions energy: -593.592 where: short stacking energy: -307.938 Base-Backbone interact. energy: 2.911 local terms energy: -508.992591 where: bonds (distance) C4'-P energy: -138.820 bonds (distance) P-C4' energy: -150.715 flat angles C4'-P-C4' energy: -118.921 flat angles P-C4'-P energy: -79.397 tors. eta vs tors. theta energy: -21.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -855.885374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.885374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.885374 (E_RNA) where: Base-Base interactions energy: -429.290 where: short stacking energy: -244.476 Base-Backbone interact. energy: -0.284 local terms energy: -426.311904 where: bonds (distance) C4'-P energy: -130.930 bonds (distance) P-C4' energy: -124.824 flat angles C4'-P-C4' energy: -107.535 flat angles P-C4'-P energy: -71.743 tors. eta vs tors. theta energy: 8.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2890.416006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.416006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.416006 (E_RNA) where: Base-Base interactions energy: -2006.634 where: short stacking energy: -851.090 Base-Backbone interact. energy: -1.115 local terms energy: -882.666291 where: bonds (distance) C4'-P energy: -168.314 bonds (distance) P-C4' energy: -160.242 flat angles C4'-P-C4' energy: -179.603 flat angles P-C4'-P energy: -131.097 tors. eta vs tors. theta energy: -243.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2755.313653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.313653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.313653 (E_RNA) where: Base-Base interactions energy: -1891.113 where: short stacking energy: -793.206 Base-Backbone interact. energy: -3.697 local terms energy: -860.503453 where: bonds (distance) C4'-P energy: -162.413 bonds (distance) P-C4' energy: -151.057 flat angles C4'-P-C4' energy: -184.877 flat angles P-C4'-P energy: -128.274 tors. eta vs tors. theta energy: -233.881 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: 370 Temperature: 1.000000 Total energy: -2669.917223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.917223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.917223 (E_RNA) where: Base-Base interactions energy: -1852.356 where: short stacking energy: -771.140 Base-Backbone interact. energy: -0.226 local terms energy: -817.335087 where: bonds (distance) C4'-P energy: -158.479 bonds (distance) P-C4' energy: -156.361 flat angles C4'-P-C4' energy: -181.223 flat angles P-C4'-P energy: -113.448 tors. eta vs tors. theta energy: -207.824 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: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2524.528099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.528099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.528099 (E_RNA) where: Base-Base interactions energy: -1757.162 where: short stacking energy: -720.601 Base-Backbone interact. energy: -6.012 local terms energy: -761.354018 where: bonds (distance) C4'-P energy: -142.757 bonds (distance) P-C4' energy: -152.260 flat angles C4'-P-C4' energy: -166.236 flat angles P-C4'-P energy: -110.029 tors. eta vs tors. theta energy: -190.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2347.168303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.168303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.168303 (E_RNA) where: Base-Base interactions energy: -1569.875 where: short stacking energy: -651.231 Base-Backbone interact. energy: -2.227 local terms energy: -775.066185 where: bonds (distance) C4'-P energy: -164.616 bonds (distance) P-C4' energy: -161.167 flat angles C4'-P-C4' energy: -164.792 flat angles P-C4'-P energy: -82.060 tors. eta vs tors. theta energy: -202.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2064.224431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.224431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.224431 (E_RNA) where: Base-Base interactions energy: -1364.323 where: short stacking energy: -598.863 Base-Backbone interact. energy: 0.017 local terms energy: -699.918728 where: bonds (distance) C4'-P energy: -139.456 bonds (distance) P-C4' energy: -138.270 flat angles C4'-P-C4' energy: -149.608 flat angles P-C4'-P energy: -108.045 tors. eta vs tors. theta energy: -164.540 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: 370 Temperature: 1.200000 Total energy: -1742.499996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.499996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.499996 (E_RNA) where: Base-Base interactions energy: -1121.683 where: short stacking energy: -504.656 Base-Backbone interact. energy: -5.763 local terms energy: -615.053996 where: bonds (distance) C4'-P energy: -152.341 bonds (distance) P-C4' energy: -123.413 flat angles C4'-P-C4' energy: -161.891 flat angles P-C4'-P energy: -84.096 tors. eta vs tors. theta energy: -93.312 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: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1306.681150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.681150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.681150 (E_RNA) where: Base-Base interactions energy: -757.208 where: short stacking energy: -347.707 Base-Backbone interact. energy: -4.647 local terms energy: -544.826101 where: bonds (distance) C4'-P energy: -143.553 bonds (distance) P-C4' energy: -140.956 flat angles C4'-P-C4' energy: -113.604 flat angles P-C4'-P energy: -92.152 tors. eta vs tors. theta energy: -54.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1135.928149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.928149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.928149 (E_RNA) where: Base-Base interactions energy: -615.809 where: short stacking energy: -324.059 Base-Backbone interact. energy: 4.545 local terms energy: -524.664740 where: bonds (distance) C4'-P energy: -117.330 bonds (distance) P-C4' energy: -142.777 flat angles C4'-P-C4' energy: -131.030 flat angles P-C4'-P energy: -91.929 tors. eta vs tors. theta energy: -41.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -865.139269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.139269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.139269 (E_RNA) where: Base-Base interactions energy: -433.833 where: short stacking energy: -211.077 Base-Backbone interact. energy: 4.395 local terms energy: -435.700650 where: bonds (distance) C4'-P energy: -146.475 bonds (distance) P-C4' energy: -143.399 flat angles C4'-P-C4' energy: -111.398 flat angles P-C4'-P energy: -58.574 tors. eta vs tors. theta energy: 24.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2888.280061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.280061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.280061 (E_RNA) where: Base-Base interactions energy: -1997.473 where: short stacking energy: -834.190 Base-Backbone interact. energy: -3.537 local terms energy: -887.269762 where: bonds (distance) C4'-P energy: -163.376 bonds (distance) P-C4' energy: -168.587 flat angles C4'-P-C4' energy: -181.124 flat angles P-C4'-P energy: -117.445 tors. eta vs tors. theta energy: -256.737 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: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2800.681804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.681804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.681804 (E_RNA) where: Base-Base interactions energy: -1913.669 where: short stacking energy: -808.232 Base-Backbone interact. energy: -6.014 local terms energy: -880.998975 where: bonds (distance) C4'-P energy: -170.719 bonds (distance) P-C4' energy: -163.035 flat angles C4'-P-C4' energy: -189.065 flat angles P-C4'-P energy: -115.991 tors. eta vs tors. theta energy: -242.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2623.303832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.303832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.303832 (E_RNA) where: Base-Base interactions energy: -1811.214 where: short stacking energy: -717.926 Base-Backbone interact. energy: -2.971 local terms energy: -809.119567 where: bonds (distance) C4'-P energy: -169.046 bonds (distance) P-C4' energy: -153.227 flat angles C4'-P-C4' energy: -171.518 flat angles P-C4'-P energy: -118.370 tors. eta vs tors. theta energy: -196.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2545.788702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.788702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.788702 (E_RNA) where: Base-Base interactions energy: -1755.513 where: short stacking energy: -744.946 Base-Backbone interact. energy: -4.226 local terms energy: -786.050401 where: bonds (distance) C4'-P energy: -144.900 bonds (distance) P-C4' energy: -164.178 flat angles C4'-P-C4' energy: -162.088 flat angles P-C4'-P energy: -103.588 tors. eta vs tors. theta energy: -211.297 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: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2372.586980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.586980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.586980 (E_RNA) where: Base-Base interactions energy: -1592.387 where: short stacking energy: -668.280 Base-Backbone interact. energy: -0.070 local terms energy: -780.130114 where: bonds (distance) C4'-P energy: -162.602 bonds (distance) P-C4' energy: -164.743 flat angles C4'-P-C4' energy: -159.551 flat angles P-C4'-P energy: -119.146 tors. eta vs tors. theta energy: -174.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2076.741282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.741282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.741282 (E_RNA) where: Base-Base interactions energy: -1361.666 where: short stacking energy: -581.405 Base-Backbone interact. energy: -4.606 local terms energy: -710.468936 where: bonds (distance) C4'-P energy: -152.832 bonds (distance) P-C4' energy: -140.595 flat angles C4'-P-C4' energy: -149.959 flat angles P-C4'-P energy: -106.441 tors. eta vs tors. theta energy: -160.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1725.892542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.892542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.892542 (E_RNA) where: Base-Base interactions energy: -1086.135 where: short stacking energy: -517.529 Base-Backbone interact. energy: -0.180 local terms energy: -639.577171 where: bonds (distance) C4'-P energy: -132.506 bonds (distance) P-C4' energy: -146.743 flat angles C4'-P-C4' energy: -145.333 flat angles P-C4'-P energy: -94.942 tors. eta vs tors. theta energy: -120.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1326.937183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.937183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.937183 (E_RNA) where: Base-Base interactions energy: -799.304 where: short stacking energy: -358.464 Base-Backbone interact. energy: 0.748 local terms energy: -528.381356 where: bonds (distance) C4'-P energy: -148.310 bonds (distance) P-C4' energy: -144.369 flat angles C4'-P-C4' energy: -125.091 flat angles P-C4'-P energy: -67.721 tors. eta vs tors. theta energy: -42.890 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: 6 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1067.601337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.601337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.601337 (E_RNA) where: Base-Base interactions energy: -617.733 where: short stacking energy: -294.310 Base-Backbone interact. energy: -2.626 local terms energy: -447.241886 where: bonds (distance) C4'-P energy: -132.080 bonds (distance) P-C4' energy: -122.661 flat angles C4'-P-C4' energy: -121.458 flat angles P-C4'-P energy: -67.135 tors. eta vs tors. theta energy: -3.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -897.788231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.788231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.788231 (E_RNA) where: Base-Base interactions energy: -451.020 where: short stacking energy: -252.216 Base-Backbone interact. energy: 1.294 local terms energy: -448.062267 where: bonds (distance) C4'-P energy: -130.072 bonds (distance) P-C4' energy: -129.403 flat angles C4'-P-C4' energy: -113.949 flat angles P-C4'-P energy: -81.117 tors. eta vs tors. theta energy: 6.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2901.493138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.493138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.493138 (E_RNA) where: Base-Base interactions energy: -2019.912 where: short stacking energy: -840.980 Base-Backbone interact. energy: -4.714 local terms energy: -876.866339 where: bonds (distance) C4'-P energy: -177.428 bonds (distance) P-C4' energy: -155.425 flat angles C4'-P-C4' energy: -181.007 flat angles P-C4'-P energy: -119.036 tors. eta vs tors. theta energy: -243.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2800.387064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.387064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.387064 (E_RNA) where: Base-Base interactions energy: -1942.923 where: short stacking energy: -823.237 Base-Backbone interact. energy: -0.214 local terms energy: -857.250578 where: bonds (distance) C4'-P energy: -152.352 bonds (distance) P-C4' energy: -165.187 flat angles C4'-P-C4' energy: -184.419 flat angles P-C4'-P energy: -119.986 tors. eta vs tors. theta energy: -235.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2633.400265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.400265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.400265 (E_RNA) where: Base-Base interactions energy: -1826.792 where: short stacking energy: -751.815 Base-Backbone interact. energy: -4.905 local terms energy: -801.702986 where: bonds (distance) C4'-P energy: -135.692 bonds (distance) P-C4' energy: -158.425 flat angles C4'-P-C4' energy: -173.861 flat angles P-C4'-P energy: -120.118 tors. eta vs tors. theta energy: -213.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2554.328518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.328518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.328518 (E_RNA) where: Base-Base interactions energy: -1739.164 where: short stacking energy: -739.909 Base-Backbone interact. energy: -4.778 local terms energy: -810.385967 where: bonds (distance) C4'-P energy: -161.017 bonds (distance) P-C4' energy: -153.987 flat angles C4'-P-C4' energy: -179.871 flat angles P-C4'-P energy: -108.664 tors. eta vs tors. theta energy: -206.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2346.349835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.349835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.349835 (E_RNA) where: Base-Base interactions energy: -1590.617 where: short stacking energy: -681.300 Base-Backbone interact. energy: -0.190 local terms energy: -755.542892 where: bonds (distance) C4'-P energy: -144.120 bonds (distance) P-C4' energy: -145.418 flat angles C4'-P-C4' energy: -175.582 flat angles P-C4'-P energy: -99.570 tors. eta vs tors. theta energy: -190.852 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: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2081.755299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.755299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.755299 (E_RNA) where: Base-Base interactions energy: -1364.297 where: short stacking energy: -589.814 Base-Backbone interact. energy: -3.717 local terms energy: -713.741571 where: bonds (distance) C4'-P energy: -137.716 bonds (distance) P-C4' energy: -152.912 flat angles C4'-P-C4' energy: -172.408 flat angles P-C4'-P energy: -102.716 tors. eta vs tors. theta energy: -147.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1730.200852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.200852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.200852 (E_RNA) where: Base-Base interactions energy: -1070.101 where: short stacking energy: -478.956 Base-Backbone interact. energy: 3.443 local terms energy: -663.543115 where: bonds (distance) C4'-P energy: -138.187 bonds (distance) P-C4' energy: -139.017 flat angles C4'-P-C4' energy: -155.008 flat angles P-C4'-P energy: -112.315 tors. eta vs tors. theta energy: -119.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1340.902248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.902248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.902248 (E_RNA) where: Base-Base interactions energy: -834.826 where: short stacking energy: -386.694 Base-Backbone interact. energy: -3.535 local terms energy: -502.541030 where: bonds (distance) C4'-P energy: -126.630 bonds (distance) P-C4' energy: -135.815 flat angles C4'-P-C4' energy: -108.774 flat angles P-C4'-P energy: -83.046 tors. eta vs tors. theta energy: -48.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1060.562026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.562026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.562026 (E_RNA) where: Base-Base interactions energy: -555.166 where: short stacking energy: -272.248 Base-Backbone interact. energy: 0.427 local terms energy: -505.823727 where: bonds (distance) C4'-P energy: -138.170 bonds (distance) P-C4' energy: -123.854 flat angles C4'-P-C4' energy: -129.982 flat angles P-C4'-P energy: -80.433 tors. eta vs tors. theta energy: -33.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -844.664648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.664648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.664648 (E_RNA) where: Base-Base interactions energy: -398.945 where: short stacking energy: -185.170 Base-Backbone interact. energy: 4.210 local terms energy: -449.929412 where: bonds (distance) C4'-P energy: -128.651 bonds (distance) P-C4' energy: -133.945 flat angles C4'-P-C4' energy: -113.132 flat angles P-C4'-P energy: -79.874 tors. eta vs tors. theta energy: 5.673 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: 7 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2936.236280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.236280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.236280 (E_RNA) where: Base-Base interactions energy: -2024.824 where: short stacking energy: -858.552 Base-Backbone interact. energy: -6.485 local terms energy: -904.926923 where: bonds (distance) C4'-P energy: -156.632 bonds (distance) P-C4' energy: -181.195 flat angles C4'-P-C4' energy: -194.756 flat angles P-C4'-P energy: -124.790 tors. eta vs tors. theta energy: -247.554 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: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2797.414383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.414383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.414383 (E_RNA) where: Base-Base interactions energy: -1920.461 where: short stacking energy: -814.043 Base-Backbone interact. energy: 1.433 local terms energy: -878.386161 where: bonds (distance) C4'-P energy: -166.754 bonds (distance) P-C4' energy: -164.767 flat angles C4'-P-C4' energy: -187.792 flat angles P-C4'-P energy: -135.858 tors. eta vs tors. theta energy: -223.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2626.949000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.949000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.949000 (E_RNA) where: Base-Base interactions energy: -1804.241 where: short stacking energy: -735.754 Base-Backbone interact. energy: -4.094 local terms energy: -818.613928 where: bonds (distance) C4'-P energy: -155.058 bonds (distance) P-C4' energy: -158.460 flat angles C4'-P-C4' energy: -194.493 flat angles P-C4'-P energy: -102.008 tors. eta vs tors. theta energy: -208.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2568.647693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.647693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.647693 (E_RNA) where: Base-Base interactions energy: -1798.122 where: short stacking energy: -733.799 Base-Backbone interact. energy: -1.112 local terms energy: -769.413350 where: bonds (distance) C4'-P energy: -151.240 bonds (distance) P-C4' energy: -156.372 flat angles C4'-P-C4' energy: -163.300 flat angles P-C4'-P energy: -95.485 tors. eta vs tors. theta energy: -203.015 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: 5, replica: 10 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2381.578355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.578355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.578355 (E_RNA) where: Base-Base interactions energy: -1616.106 where: short stacking energy: -727.214 Base-Backbone interact. energy: 0.844 local terms energy: -766.316162 where: bonds (distance) C4'-P energy: -153.674 bonds (distance) P-C4' energy: -133.256 flat angles C4'-P-C4' energy: -163.786 flat angles P-C4'-P energy: -109.318 tors. eta vs tors. theta energy: -206.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2072.465800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.465800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.465800 (E_RNA) where: Base-Base interactions energy: -1386.211 where: short stacking energy: -595.532 Base-Backbone interact. energy: -2.387 local terms energy: -683.868168 where: bonds (distance) C4'-P energy: -129.242 bonds (distance) P-C4' energy: -151.167 flat angles C4'-P-C4' energy: -145.983 flat angles P-C4'-P energy: -95.322 tors. eta vs tors. theta energy: -162.154 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: 373 Temperature: 1.200000 Total energy: -1726.496387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.496387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.496387 (E_RNA) where: Base-Base interactions energy: -1068.181 where: short stacking energy: -474.534 Base-Backbone interact. energy: -0.578 local terms energy: -657.737336 where: bonds (distance) C4'-P energy: -153.178 bonds (distance) P-C4' energy: -142.971 flat angles C4'-P-C4' energy: -159.575 flat angles P-C4'-P energy: -103.191 tors. eta vs tors. theta energy: -98.823 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: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1394.207279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.207279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.207279 (E_RNA) where: Base-Base interactions energy: -857.964 where: short stacking energy: -406.254 Base-Backbone interact. energy: -0.856 local terms energy: -535.387088 where: bonds (distance) C4'-P energy: -133.134 bonds (distance) P-C4' energy: -136.224 flat angles C4'-P-C4' energy: -131.977 flat angles P-C4'-P energy: -65.113 tors. eta vs tors. theta energy: -68.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1060.526544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.526544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.526544 (E_RNA) where: Base-Base interactions energy: -575.520 where: short stacking energy: -303.341 Base-Backbone interact. energy: 2.565 local terms energy: -487.571799 where: bonds (distance) C4'-P energy: -120.576 bonds (distance) P-C4' energy: -152.868 flat angles C4'-P-C4' energy: -124.803 flat angles P-C4'-P energy: -79.887 tors. eta vs tors. theta energy: -9.438 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: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -820.600829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.600829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.600829 (E_RNA) where: Base-Base interactions energy: -391.037 where: short stacking energy: -251.086 Base-Backbone interact. energy: 8.659 local terms energy: -438.223123 where: bonds (distance) C4'-P energy: -123.827 bonds (distance) P-C4' energy: -152.923 flat angles C4'-P-C4' energy: -95.242 flat angles P-C4'-P energy: -74.829 tors. eta vs tors. theta energy: 8.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2908.640226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.640226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.640226 (E_RNA) where: Base-Base interactions energy: -2041.476 where: short stacking energy: -860.531 Base-Backbone interact. energy: -4.581 local terms energy: -862.582799 where: bonds (distance) C4'-P energy: -164.010 bonds (distance) P-C4' energy: -151.619 flat angles C4'-P-C4' energy: -186.023 flat angles P-C4'-P energy: -113.806 tors. eta vs tors. theta energy: -247.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2846.280312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.280312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.280312 (E_RNA) where: Base-Base interactions energy: -1947.691 where: short stacking energy: -813.934 Base-Backbone interact. energy: -3.751 local terms energy: -894.838344 where: bonds (distance) C4'-P energy: -165.059 bonds (distance) P-C4' energy: -161.299 flat angles C4'-P-C4' energy: -195.061 flat angles P-C4'-P energy: -131.477 tors. eta vs tors. theta energy: -241.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2638.016589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.016589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.016589 (E_RNA) where: Base-Base interactions energy: -1817.448 where: short stacking energy: -732.234 Base-Backbone interact. energy: -3.462 local terms energy: -817.106528 where: bonds (distance) C4'-P energy: -147.313 bonds (distance) P-C4' energy: -160.806 flat angles C4'-P-C4' energy: -171.798 flat angles P-C4'-P energy: -117.051 tors. eta vs tors. theta energy: -220.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2581.447753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.447753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.447753 (E_RNA) where: Base-Base interactions energy: -1766.183 where: short stacking energy: -722.828 Base-Backbone interact. energy: -6.955 local terms energy: -808.309848 where: bonds (distance) C4'-P energy: -149.949 bonds (distance) P-C4' energy: -163.787 flat angles C4'-P-C4' energy: -173.729 flat angles P-C4'-P energy: -108.407 tors. eta vs tors. theta energy: -212.437 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: 5, replica: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2410.472346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.472346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.472346 (E_RNA) where: Base-Base interactions energy: -1663.646 where: short stacking energy: -705.094 Base-Backbone interact. energy: -3.281 local terms energy: -743.545900 where: bonds (distance) C4'-P energy: -141.620 bonds (distance) P-C4' energy: -135.340 flat angles C4'-P-C4' energy: -145.934 flat angles P-C4'-P energy: -103.834 tors. eta vs tors. theta energy: -216.818 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: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2110.297059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.297059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.297059 (E_RNA) where: Base-Base interactions energy: -1452.812 where: short stacking energy: -635.473 Base-Backbone interact. energy: -3.724 local terms energy: -653.760722 where: bonds (distance) C4'-P energy: -107.027 bonds (distance) P-C4' energy: -142.129 flat angles C4'-P-C4' energy: -149.989 flat angles P-C4'-P energy: -96.019 tors. eta vs tors. theta energy: -158.597 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: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1619.606781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.606781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.606781 (E_RNA) where: Base-Base interactions energy: -1029.392 where: short stacking energy: -481.771 Base-Backbone interact. energy: -2.132 local terms energy: -588.082797 where: bonds (distance) C4'-P energy: -133.945 bonds (distance) P-C4' energy: -125.249 flat angles C4'-P-C4' energy: -157.168 flat angles P-C4'-P energy: -88.408 tors. eta vs tors. theta energy: -83.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1326.315369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.315369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.315369 (E_RNA) where: Base-Base interactions energy: -802.206 where: short stacking energy: -372.197 Base-Backbone interact. energy: -1.699 local terms energy: -522.410683 where: bonds (distance) C4'-P energy: -127.471 bonds (distance) P-C4' energy: -132.760 flat angles C4'-P-C4' energy: -151.710 flat angles P-C4'-P energy: -57.638 tors. eta vs tors. theta energy: -52.831 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: 6 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1098.418759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.418759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.418759 (E_RNA) where: Base-Base interactions energy: -615.488 where: short stacking energy: -280.105 Base-Backbone interact. energy: -0.128 local terms energy: -482.803028 where: bonds (distance) C4'-P energy: -118.912 bonds (distance) P-C4' energy: -135.435 flat angles C4'-P-C4' energy: -141.673 flat angles P-C4'-P energy: -88.988 tors. eta vs tors. theta energy: 2.204 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: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -791.779361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.779361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.779361 (E_RNA) where: Base-Base interactions energy: -366.299 where: short stacking energy: -210.761 Base-Backbone interact. energy: 4.905 local terms energy: -430.385524 where: bonds (distance) C4'-P energy: -119.354 bonds (distance) P-C4' energy: -138.975 flat angles C4'-P-C4' energy: -85.872 flat angles P-C4'-P energy: -99.391 tors. eta vs tors. theta energy: 13.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2915.869530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.869530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.869530 (E_RNA) where: Base-Base interactions energy: -2023.721 where: short stacking energy: -852.209 Base-Backbone interact. energy: 2.707 local terms energy: -894.855131 where: bonds (distance) C4'-P energy: -170.027 bonds (distance) P-C4' energy: -169.826 flat angles C4'-P-C4' energy: -188.157 flat angles P-C4'-P energy: -122.721 tors. eta vs tors. theta energy: -244.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2808.956680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.956680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.956680 (E_RNA) where: Base-Base interactions energy: -1938.783 where: short stacking energy: -815.560 Base-Backbone interact. energy: -3.578 local terms energy: -866.595856 where: bonds (distance) C4'-P energy: -153.398 bonds (distance) P-C4' energy: -155.642 flat angles C4'-P-C4' energy: -188.007 flat angles P-C4'-P energy: -120.456 tors. eta vs tors. theta energy: -249.093 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: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2631.154461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.154461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.154461 (E_RNA) where: Base-Base interactions energy: -1816.643 where: short stacking energy: -760.797 Base-Backbone interact. energy: -2.710 local terms energy: -811.801573 where: bonds (distance) C4'-P energy: -145.831 bonds (distance) P-C4' energy: -149.385 flat angles C4'-P-C4' energy: -178.549 flat angles P-C4'-P energy: -113.619 tors. eta vs tors. theta energy: -224.417 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: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2489.124773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.124773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.124773 (E_RNA) where: Base-Base interactions energy: -1724.877 where: short stacking energy: -711.712 Base-Backbone interact. energy: 0.234 local terms energy: -764.482388 where: bonds (distance) C4'-P energy: -149.055 bonds (distance) P-C4' energy: -140.714 flat angles C4'-P-C4' energy: -165.091 flat angles P-C4'-P energy: -101.627 tors. eta vs tors. theta energy: -207.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2388.190515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.190515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.190515 (E_RNA) where: Base-Base interactions energy: -1636.712 where: short stacking energy: -716.643 Base-Backbone interact. energy: 0.599 local terms energy: -752.077195 where: bonds (distance) C4'-P energy: -134.286 bonds (distance) P-C4' energy: -150.239 flat angles C4'-P-C4' energy: -160.616 flat angles P-C4'-P energy: -109.861 tors. eta vs tors. theta energy: -197.076 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: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2087.167662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.167662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.167662 (E_RNA) where: Base-Base interactions energy: -1389.425 where: short stacking energy: -596.067 Base-Backbone interact. energy: -2.170 local terms energy: -695.572768 where: bonds (distance) C4'-P energy: -130.690 bonds (distance) P-C4' energy: -140.172 flat angles C4'-P-C4' energy: -162.217 flat angles P-C4'-P energy: -92.936 tors. eta vs tors. theta energy: -169.558 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: 375 Temperature: 1.200000 Total energy: -1645.389518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.389518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.389518 (E_RNA) where: Base-Base interactions energy: -1024.511 where: short stacking energy: -478.736 Base-Backbone interact. energy: -5.915 local terms energy: -614.964018 where: bonds (distance) C4'-P energy: -130.219 bonds (distance) P-C4' energy: -138.243 flat angles C4'-P-C4' energy: -153.833 flat angles P-C4'-P energy: -106.453 tors. eta vs tors. theta energy: -86.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1330.657617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.657617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.657617 (E_RNA) where: Base-Base interactions energy: -764.461 where: short stacking energy: -382.025 Base-Backbone interact. energy: 0.909 local terms energy: -567.105195 where: bonds (distance) C4'-P energy: -140.014 bonds (distance) P-C4' energy: -142.382 flat angles C4'-P-C4' energy: -143.636 flat angles P-C4'-P energy: -83.192 tors. eta vs tors. theta energy: -57.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1193.535275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.535275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.535275 (E_RNA) where: Base-Base interactions energy: -659.650 where: short stacking energy: -331.371 Base-Backbone interact. energy: 0.585 local terms energy: -534.469682 where: bonds (distance) C4'-P energy: -115.660 bonds (distance) P-C4' energy: -142.017 flat angles C4'-P-C4' energy: -149.930 flat angles P-C4'-P energy: -95.734 tors. eta vs tors. theta energy: -31.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -775.763124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.763124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.763124 (E_RNA) where: Base-Base interactions energy: -304.961 where: short stacking energy: -193.889 Base-Backbone interact. energy: -1.762 local terms energy: -469.040220 where: bonds (distance) C4'-P energy: -130.965 bonds (distance) P-C4' energy: -152.247 flat angles C4'-P-C4' energy: -116.614 flat angles P-C4'-P energy: -82.692 tors. eta vs tors. theta energy: 13.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2908.810528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.810528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.810528 (E_RNA) where: Base-Base interactions energy: -2029.331 where: short stacking energy: -860.063 Base-Backbone interact. energy: 2.148 local terms energy: -881.626779 where: bonds (distance) C4'-P energy: -169.972 bonds (distance) P-C4' energy: -167.310 flat angles C4'-P-C4' energy: -181.420 flat angles P-C4'-P energy: -121.562 tors. eta vs tors. theta energy: -241.364 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: 1 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2775.872944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.872944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.872944 (E_RNA) where: Base-Base interactions energy: -1913.370 where: short stacking energy: -802.191 Base-Backbone interact. energy: -4.869 local terms energy: -857.634704 where: bonds (distance) C4'-P energy: -159.813 bonds (distance) P-C4' energy: -158.728 flat angles C4'-P-C4' energy: -171.545 flat angles P-C4'-P energy: -131.058 tors. eta vs tors. theta energy: -236.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2639.910368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.910368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.910368 (E_RNA) where: Base-Base interactions energy: -1820.230 where: short stacking energy: -766.730 Base-Backbone interact. energy: 5.739 local terms energy: -825.419819 where: bonds (distance) C4'-P energy: -151.198 bonds (distance) P-C4' energy: -141.457 flat angles C4'-P-C4' energy: -180.963 flat angles P-C4'-P energy: -133.782 tors. eta vs tors. theta energy: -218.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2518.434964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.434964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.434964 (E_RNA) where: Base-Base interactions energy: -1726.200 where: short stacking energy: -737.024 Base-Backbone interact. energy: -0.097 local terms energy: -792.138142 where: bonds (distance) C4'-P energy: -156.958 bonds (distance) P-C4' energy: -155.042 flat angles C4'-P-C4' energy: -168.818 flat angles P-C4'-P energy: -109.809 tors. eta vs tors. theta energy: -201.511 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: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2357.883157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.883157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.883157 (E_RNA) where: Base-Base interactions energy: -1591.806 where: short stacking energy: -680.960 Base-Backbone interact. energy: -1.562 local terms energy: -764.514437 where: bonds (distance) C4'-P energy: -155.682 bonds (distance) P-C4' energy: -141.285 flat angles C4'-P-C4' energy: -179.027 flat angles P-C4'-P energy: -94.115 tors. eta vs tors. theta energy: -194.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2126.194801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.194801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.194801 (E_RNA) where: Base-Base interactions energy: -1397.928 where: short stacking energy: -593.443 Base-Backbone interact. energy: -2.678 local terms energy: -725.589317 where: bonds (distance) C4'-P energy: -145.310 bonds (distance) P-C4' energy: -165.219 flat angles C4'-P-C4' energy: -157.596 flat angles P-C4'-P energy: -102.979 tors. eta vs tors. theta energy: -154.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1581.305832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.305832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.305832 (E_RNA) where: Base-Base interactions energy: -1034.597 where: short stacking energy: -470.882 Base-Backbone interact. energy: -0.790 local terms energy: -545.919297 where: bonds (distance) C4'-P energy: -115.091 bonds (distance) P-C4' energy: -122.131 flat angles C4'-P-C4' energy: -128.733 flat angles P-C4'-P energy: -86.333 tors. eta vs tors. theta energy: -93.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1334.069029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.069029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.069029 (E_RNA) where: Base-Base interactions energy: -773.480 where: short stacking energy: -369.336 Base-Backbone interact. energy: 2.295 local terms energy: -562.884271 where: bonds (distance) C4'-P energy: -148.918 bonds (distance) P-C4' energy: -154.056 flat angles C4'-P-C4' energy: -148.369 flat angles P-C4'-P energy: -62.967 tors. eta vs tors. theta energy: -48.575 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: 6 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1152.343041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.343041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.343041 (E_RNA) where: Base-Base interactions energy: -658.003 where: short stacking energy: -297.939 Base-Backbone interact. energy: -4.721 local terms energy: -489.618653 where: bonds (distance) C4'-P energy: -137.450 bonds (distance) P-C4' energy: -136.241 flat angles C4'-P-C4' energy: -133.989 flat angles P-C4'-P energy: -75.007 tors. eta vs tors. theta energy: -6.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -811.114401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.114401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.114401 (E_RNA) where: Base-Base interactions energy: -377.591 where: short stacking energy: -226.149 Base-Backbone interact. energy: 3.496 local terms energy: -437.019123 where: bonds (distance) C4'-P energy: -128.313 bonds (distance) P-C4' energy: -134.577 flat angles C4'-P-C4' energy: -120.121 flat angles P-C4'-P energy: -60.647 tors. eta vs tors. theta energy: 6.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2918.894411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.894411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.894411 (E_RNA) where: Base-Base interactions energy: -2027.280 where: short stacking energy: -863.996 Base-Backbone interact. energy: -3.350 local terms energy: -888.264772 where: bonds (distance) C4'-P energy: -166.838 bonds (distance) P-C4' energy: -163.901 flat angles C4'-P-C4' energy: -192.969 flat angles P-C4'-P energy: -130.615 tors. eta vs tors. theta energy: -233.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2746.834536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.834536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.834536 (E_RNA) where: Base-Base interactions energy: -1873.451 where: short stacking energy: -810.757 Base-Backbone interact. energy: -3.506 local terms energy: -869.877390 where: bonds (distance) C4'-P energy: -155.433 bonds (distance) P-C4' energy: -155.999 flat angles C4'-P-C4' energy: -190.880 flat angles P-C4'-P energy: -129.843 tors. eta vs tors. theta energy: -237.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2684.740309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.740309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.740309 (E_RNA) where: Base-Base interactions energy: -1861.039 where: short stacking energy: -760.259 Base-Backbone interact. energy: -1.970 local terms energy: -821.731490 where: bonds (distance) C4'-P energy: -131.238 bonds (distance) P-C4' energy: -166.191 flat angles C4'-P-C4' energy: -179.393 flat angles P-C4'-P energy: -119.978 tors. eta vs tors. theta energy: -224.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2572.867383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.867383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.867383 (E_RNA) where: Base-Base interactions energy: -1764.638 where: short stacking energy: -743.853 Base-Backbone interact. energy: -4.404 local terms energy: -803.825346 where: bonds (distance) C4'-P energy: -126.678 bonds (distance) P-C4' energy: -170.307 flat angles C4'-P-C4' energy: -183.372 flat angles P-C4'-P energy: -112.649 tors. eta vs tors. theta energy: -210.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2355.846570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.846570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.846570 (E_RNA) where: Base-Base interactions energy: -1594.239 where: short stacking energy: -680.007 Base-Backbone interact. energy: -1.065 local terms energy: -760.542765 where: bonds (distance) C4'-P energy: -148.788 bonds (distance) P-C4' energy: -146.749 flat angles C4'-P-C4' energy: -168.907 flat angles P-C4'-P energy: -110.904 tors. eta vs tors. theta energy: -185.195 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: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2133.899851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.899851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.899851 (E_RNA) where: Base-Base interactions energy: -1422.387 where: short stacking energy: -616.460 Base-Backbone interact. energy: -0.386 local terms energy: -711.126845 where: bonds (distance) C4'-P energy: -146.139 bonds (distance) P-C4' energy: -144.554 flat angles C4'-P-C4' energy: -165.666 flat angles P-C4'-P energy: -90.906 tors. eta vs tors. theta energy: -163.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1665.127156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.127156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.127156 (E_RNA) where: Base-Base interactions energy: -1068.697 where: short stacking energy: -466.202 Base-Backbone interact. energy: -3.718 local terms energy: -592.712193 where: bonds (distance) C4'-P energy: -148.892 bonds (distance) P-C4' energy: -126.791 flat angles C4'-P-C4' energy: -142.912 flat angles P-C4'-P energy: -90.559 tors. eta vs tors. theta energy: -83.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1335.465929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.465929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.465929 (E_RNA) where: Base-Base interactions energy: -789.248 where: short stacking energy: -376.574 Base-Backbone interact. energy: -5.942 local terms energy: -540.275820 where: bonds (distance) C4'-P energy: -126.292 bonds (distance) P-C4' energy: -136.577 flat angles C4'-P-C4' energy: -144.810 flat angles P-C4'-P energy: -73.156 tors. eta vs tors. theta energy: -59.440 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: 6 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1194.703766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.703766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.703766 (E_RNA) where: Base-Base interactions energy: -692.076 where: short stacking energy: -374.912 Base-Backbone interact. energy: 6.094 local terms energy: -508.721737 where: bonds (distance) C4'-P energy: -124.706 bonds (distance) P-C4' energy: -134.513 flat angles C4'-P-C4' energy: -124.058 flat angles P-C4'-P energy: -78.520 tors. eta vs tors. theta energy: -46.925 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: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -740.741005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.741005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.741005 (E_RNA) where: Base-Base interactions energy: -377.383 where: short stacking energy: -238.432 Base-Backbone interact. energy: -3.300 local terms energy: -360.057819 where: bonds (distance) C4'-P energy: -123.114 bonds (distance) P-C4' energy: -128.719 flat angles C4'-P-C4' energy: -74.953 flat angles P-C4'-P energy: -50.846 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: 7 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2907.138492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.138492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.138492 (E_RNA) where: Base-Base interactions energy: -1987.980 where: short stacking energy: -841.921 Base-Backbone interact. energy: -3.983 local terms energy: -915.175525 where: bonds (distance) C4'-P energy: -165.101 bonds (distance) P-C4' energy: -178.565 flat angles C4'-P-C4' energy: -195.654 flat angles P-C4'-P energy: -125.912 tors. eta vs tors. theta energy: -249.944 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: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2776.523429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.523429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.523429 (E_RNA) where: Base-Base interactions energy: -1919.518 where: short stacking energy: -806.859 Base-Backbone interact. energy: -4.405 local terms energy: -852.599906 where: bonds (distance) C4'-P energy: -152.240 bonds (distance) P-C4' energy: -155.348 flat angles C4'-P-C4' energy: -178.630 flat angles P-C4'-P energy: -129.728 tors. eta vs tors. theta energy: -236.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2694.729691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.729691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.729691 (E_RNA) where: Base-Base interactions energy: -1862.403 where: short stacking energy: -750.087 Base-Backbone interact. energy: -4.379 local terms energy: -827.947207 where: bonds (distance) C4'-P energy: -148.923 bonds (distance) P-C4' energy: -165.558 flat angles C4'-P-C4' energy: -170.694 flat angles P-C4'-P energy: -123.804 tors. eta vs tors. theta energy: -218.968 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: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2559.160015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.160015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.160015 (E_RNA) where: Base-Base interactions energy: -1788.143 where: short stacking energy: -710.149 Base-Backbone interact. energy: -2.754 local terms energy: -768.262894 where: bonds (distance) C4'-P energy: -137.809 bonds (distance) P-C4' energy: -141.717 flat angles C4'-P-C4' energy: -174.056 flat angles P-C4'-P energy: -107.802 tors. eta vs tors. theta energy: -206.880 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: 10 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2340.488372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.488372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.488372 (E_RNA) where: Base-Base interactions energy: -1612.571 where: short stacking energy: -701.588 Base-Backbone interact. energy: -3.351 local terms energy: -724.566432 where: bonds (distance) C4'-P energy: -132.947 bonds (distance) P-C4' energy: -138.695 flat angles C4'-P-C4' energy: -168.861 flat angles P-C4'-P energy: -94.165 tors. eta vs tors. theta energy: -189.899 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: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2170.664545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.664545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.664545 (E_RNA) where: Base-Base interactions energy: -1422.693 where: short stacking energy: -637.106 Base-Backbone interact. energy: -1.826 local terms energy: -746.145759 where: bonds (distance) C4'-P energy: -164.820 bonds (distance) P-C4' energy: -134.821 flat angles C4'-P-C4' energy: -172.889 flat angles P-C4'-P energy: -94.339 tors. eta vs tors. theta energy: -179.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1721.295015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.295015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.295015 (E_RNA) where: Base-Base interactions energy: -1099.029 where: short stacking energy: -495.630 Base-Backbone interact. energy: -6.168 local terms energy: -616.097897 where: bonds (distance) C4'-P energy: -122.754 bonds (distance) P-C4' energy: -150.542 flat angles C4'-P-C4' energy: -147.517 flat angles P-C4'-P energy: -93.563 tors. eta vs tors. theta energy: -101.723 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: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1329.385995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.385995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.385995 (E_RNA) where: Base-Base interactions energy: -757.987 where: short stacking energy: -346.971 Base-Backbone interact. energy: 0.444 local terms energy: -571.842769 where: bonds (distance) C4'-P energy: -156.014 bonds (distance) P-C4' energy: -137.679 flat angles C4'-P-C4' energy: -146.722 flat angles P-C4'-P energy: -93.109 tors. eta vs tors. theta energy: -38.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1058.755407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.755407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.755407 (E_RNA) where: Base-Base interactions energy: -543.849 where: short stacking energy: -284.350 Base-Backbone interact. energy: -0.124 local terms energy: -514.782263 where: bonds (distance) C4'-P energy: -148.503 bonds (distance) P-C4' energy: -128.511 flat angles C4'-P-C4' energy: -141.063 flat angles P-C4'-P energy: -84.658 tors. eta vs tors. theta energy: -12.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -715.818321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.818321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.818321 (E_RNA) where: Base-Base interactions energy: -309.918 where: short stacking energy: -231.936 Base-Backbone interact. energy: -3.877 local terms energy: -402.023866 where: bonds (distance) C4'-P energy: -118.631 bonds (distance) P-C4' energy: -120.980 flat angles C4'-P-C4' energy: -89.522 flat angles P-C4'-P energy: -84.087 tors. eta vs tors. theta energy: 11.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2919.487530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.487530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.487530 (E_RNA) where: Base-Base interactions energy: -2040.961 where: short stacking energy: -869.692 Base-Backbone interact. energy: 1.052 local terms energy: -879.578658 where: bonds (distance) C4'-P energy: -159.422 bonds (distance) P-C4' energy: -154.432 flat angles C4'-P-C4' energy: -188.473 flat angles P-C4'-P energy: -131.887 tors. eta vs tors. theta energy: -245.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2775.645063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.645063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.645063 (E_RNA) where: Base-Base interactions energy: -1885.559 where: short stacking energy: -816.834 Base-Backbone interact. energy: -5.569 local terms energy: -884.517847 where: bonds (distance) C4'-P energy: -149.472 bonds (distance) P-C4' energy: -161.772 flat angles C4'-P-C4' energy: -188.584 flat angles P-C4'-P energy: -138.981 tors. eta vs tors. theta energy: -245.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2650.192486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.192486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.192486 (E_RNA) where: Base-Base interactions energy: -1812.813 where: short stacking energy: -737.365 Base-Backbone interact. energy: -3.134 local terms energy: -834.245469 where: bonds (distance) C4'-P energy: -155.390 bonds (distance) P-C4' energy: -176.891 flat angles C4'-P-C4' energy: -182.293 flat angles P-C4'-P energy: -116.548 tors. eta vs tors. theta energy: -203.123 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: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2565.851960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.851960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.851960 (E_RNA) where: Base-Base interactions energy: -1773.482 where: short stacking energy: -748.384 Base-Backbone interact. energy: -3.060 local terms energy: -789.309124 where: bonds (distance) C4'-P energy: -143.676 bonds (distance) P-C4' energy: -159.557 flat angles C4'-P-C4' energy: -170.320 flat angles P-C4'-P energy: -103.456 tors. eta vs tors. theta energy: -212.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2364.823081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.823081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.823081 (E_RNA) where: Base-Base interactions energy: -1588.139 where: short stacking energy: -683.137 Base-Backbone interact. energy: -4.152 local terms energy: -772.532529 where: bonds (distance) C4'-P energy: -144.640 bonds (distance) P-C4' energy: -166.478 flat angles C4'-P-C4' energy: -165.543 flat angles P-C4'-P energy: -105.133 tors. eta vs tors. theta energy: -190.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2173.203064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.203064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.203064 (E_RNA) where: Base-Base interactions energy: -1447.626 where: short stacking energy: -639.190 Base-Backbone interact. energy: -3.951 local terms energy: -721.625552 where: bonds (distance) C4'-P energy: -144.794 bonds (distance) P-C4' energy: -133.022 flat angles C4'-P-C4' energy: -157.570 flat angles P-C4'-P energy: -103.326 tors. eta vs tors. theta energy: -182.913 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: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1697.076214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.076214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.076214 (E_RNA) where: Base-Base interactions energy: -1086.098 where: short stacking energy: -478.599 Base-Backbone interact. energy: -0.164 local terms energy: -610.814011 where: bonds (distance) C4'-P energy: -154.590 bonds (distance) P-C4' energy: -139.798 flat angles C4'-P-C4' energy: -136.991 flat angles P-C4'-P energy: -75.351 tors. eta vs tors. theta energy: -104.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1291.108333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.108333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.108333 (E_RNA) where: Base-Base interactions energy: -746.766 where: short stacking energy: -327.659 Base-Backbone interact. energy: 6.235 local terms energy: -550.577535 where: bonds (distance) C4'-P energy: -141.126 bonds (distance) P-C4' energy: -145.337 flat angles C4'-P-C4' energy: -152.238 flat angles P-C4'-P energy: -84.731 tors. eta vs tors. theta energy: -27.145 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: 9, replica: 6 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -991.763967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.763967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.763967 (E_RNA) where: Base-Base interactions energy: -535.188 where: short stacking energy: -307.092 Base-Backbone interact. energy: -1.088 local terms energy: -455.488255 where: bonds (distance) C4'-P energy: -112.262 bonds (distance) P-C4' energy: -136.180 flat angles C4'-P-C4' energy: -112.538 flat angles P-C4'-P energy: -68.842 tors. eta vs tors. theta energy: -25.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -691.642658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.642658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.642658 (E_RNA) where: Base-Base interactions energy: -278.382 where: short stacking energy: -200.418 Base-Backbone interact. energy: 5.084 local terms energy: -418.345367 where: bonds (distance) C4'-P energy: -127.558 bonds (distance) P-C4' energy: -126.598 flat angles C4'-P-C4' energy: -109.858 flat angles P-C4'-P energy: -91.662 tors. eta vs tors. theta energy: 37.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2923.337263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.337263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.337263 (E_RNA) where: Base-Base interactions energy: -2066.519 where: short stacking energy: -856.291 Base-Backbone interact. energy: 4.187 local terms energy: -861.005938 where: bonds (distance) C4'-P energy: -155.468 bonds (distance) P-C4' energy: -149.947 flat angles C4'-P-C4' energy: -189.371 flat angles P-C4'-P energy: -121.371 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: 2, replica: 1 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2816.108691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.108691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.108691 (E_RNA) where: Base-Base interactions energy: -1945.762 where: short stacking energy: -835.219 Base-Backbone interact. energy: -2.725 local terms energy: -867.621980 where: bonds (distance) C4'-P energy: -155.930 bonds (distance) P-C4' energy: -151.221 flat angles C4'-P-C4' energy: -195.990 flat angles P-C4'-P energy: -119.828 tors. eta vs tors. theta energy: -244.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2692.520334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.520334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.520334 (E_RNA) where: Base-Base interactions energy: -1868.605 where: short stacking energy: -774.852 Base-Backbone interact. energy: -6.328 local terms energy: -817.587411 where: bonds (distance) C4'-P energy: -158.316 bonds (distance) P-C4' energy: -157.411 flat angles C4'-P-C4' energy: -168.081 flat angles P-C4'-P energy: -120.227 tors. eta vs tors. theta energy: -213.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2564.465300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.465300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.465300 (E_RNA) where: Base-Base interactions energy: -1801.642 where: short stacking energy: -757.735 Base-Backbone interact. energy: -2.837 local terms energy: -759.986795 where: bonds (distance) C4'-P energy: -126.357 bonds (distance) P-C4' energy: -126.041 flat angles C4'-P-C4' energy: -163.310 flat angles P-C4'-P energy: -118.639 tors. eta vs tors. theta energy: -225.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2430.311429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.311429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.311429 (E_RNA) where: Base-Base interactions energy: -1646.406 where: short stacking energy: -696.638 Base-Backbone interact. energy: -0.264 local terms energy: -783.641452 where: bonds (distance) C4'-P energy: -137.308 bonds (distance) P-C4' energy: -150.733 flat angles C4'-P-C4' energy: -173.834 flat angles P-C4'-P energy: -115.612 tors. eta vs tors. theta energy: -206.153 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: 380 Temperature: 1.150000 Total energy: -2176.262156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.262156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.262156 (E_RNA) where: Base-Base interactions energy: -1453.885 where: short stacking energy: -653.651 Base-Backbone interact. energy: -3.728 local terms energy: -718.648919 where: bonds (distance) C4'-P energy: -129.724 bonds (distance) P-C4' energy: -142.130 flat angles C4'-P-C4' energy: -157.874 flat angles P-C4'-P energy: -108.036 tors. eta vs tors. theta energy: -180.885 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: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1698.695512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.695512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.695512 (E_RNA) where: Base-Base interactions energy: -1101.567 where: short stacking energy: -469.499 Base-Backbone interact. energy: -0.436 local terms energy: -596.692545 where: bonds (distance) C4'-P energy: -126.285 bonds (distance) P-C4' energy: -152.361 flat angles C4'-P-C4' energy: -134.396 flat angles P-C4'-P energy: -98.951 tors. eta vs tors. theta energy: -84.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1320.807928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.807928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.807928 (E_RNA) where: Base-Base interactions energy: -774.829 where: short stacking energy: -380.157 Base-Backbone interact. energy: -0.779 local terms energy: -545.199206 where: bonds (distance) C4'-P energy: -150.531 bonds (distance) P-C4' energy: -134.454 flat angles C4'-P-C4' energy: -121.651 flat angles P-C4'-P energy: -72.871 tors. eta vs tors. theta energy: -65.691 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: 6 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -947.587634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.587634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.587634 (E_RNA) where: Base-Base interactions energy: -486.683 where: short stacking energy: -267.460 Base-Backbone interact. energy: -1.848 local terms energy: -459.057174 where: bonds (distance) C4'-P energy: -142.810 bonds (distance) P-C4' energy: -140.726 flat angles C4'-P-C4' energy: -104.426 flat angles P-C4'-P energy: -67.545 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -735.176632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.176632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.176632 (E_RNA) where: Base-Base interactions energy: -330.424 where: short stacking energy: -198.620 Base-Backbone interact. energy: 6.774 local terms energy: -411.526522 where: bonds (distance) C4'-P energy: -124.964 bonds (distance) P-C4' energy: -134.622 flat angles C4'-P-C4' energy: -121.212 flat angles P-C4'-P energy: -56.126 tors. eta vs tors. theta energy: 25.398 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: 7 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2891.601980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.601980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.601980 (E_RNA) where: Base-Base interactions energy: -2027.448 where: short stacking energy: -858.060 Base-Backbone interact. energy: -1.573 local terms energy: -862.580301 where: bonds (distance) C4'-P energy: -158.078 bonds (distance) P-C4' energy: -158.087 flat angles C4'-P-C4' energy: -181.813 flat angles P-C4'-P energy: -114.871 tors. eta vs tors. theta energy: -249.732 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: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2778.425020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.425020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.425020 (E_RNA) where: Base-Base interactions energy: -1914.770 where: short stacking energy: -816.792 Base-Backbone interact. energy: -2.713 local terms energy: -860.942043 where: bonds (distance) C4'-P energy: -154.408 bonds (distance) P-C4' energy: -160.934 flat angles C4'-P-C4' energy: -181.867 flat angles P-C4'-P energy: -122.401 tors. eta vs tors. theta energy: -241.332 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: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2696.966795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.966795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.966795 (E_RNA) where: Base-Base interactions energy: -1845.003 where: short stacking energy: -776.816 Base-Backbone interact. energy: -0.466 local terms energy: -851.497829 where: bonds (distance) C4'-P energy: -163.704 bonds (distance) P-C4' energy: -158.106 flat angles C4'-P-C4' energy: -179.683 flat angles P-C4'-P energy: -124.018 tors. eta vs tors. theta energy: -225.988 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: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2573.783580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.783580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.783580 (E_RNA) where: Base-Base interactions energy: -1768.256 where: short stacking energy: -785.402 Base-Backbone interact. energy: -6.702 local terms energy: -798.825492 where: bonds (distance) C4'-P energy: -151.994 bonds (distance) P-C4' energy: -137.037 flat angles C4'-P-C4' energy: -172.299 flat angles P-C4'-P energy: -115.774 tors. eta vs tors. theta energy: -221.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2416.511572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.511572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.511572 (E_RNA) where: Base-Base interactions energy: -1631.635 where: short stacking energy: -691.472 Base-Backbone interact. energy: -1.407 local terms energy: -783.469146 where: bonds (distance) C4'-P energy: -161.846 bonds (distance) P-C4' energy: -145.302 flat angles C4'-P-C4' energy: -167.189 flat angles P-C4'-P energy: -117.721 tors. eta vs tors. theta energy: -191.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2122.001891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.001891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.001891 (E_RNA) where: Base-Base interactions energy: -1381.863 where: short stacking energy: -607.396 Base-Backbone interact. energy: -7.596 local terms energy: -732.543420 where: bonds (distance) C4'-P energy: -140.287 bonds (distance) P-C4' energy: -171.827 flat angles C4'-P-C4' energy: -162.850 flat angles P-C4'-P energy: -84.680 tors. eta vs tors. theta energy: -172.899 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: 381 Temperature: 1.200000 Total energy: -1732.952885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.952885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.952885 (E_RNA) where: Base-Base interactions energy: -1114.658 where: short stacking energy: -490.970 Base-Backbone interact. energy: 2.345 local terms energy: -620.640520 where: bonds (distance) C4'-P energy: -110.631 bonds (distance) P-C4' energy: -139.401 flat angles C4'-P-C4' energy: -148.208 flat angles P-C4'-P energy: -102.521 tors. eta vs tors. theta energy: -119.879 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: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1296.055054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.055054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.055054 (E_RNA) where: Base-Base interactions energy: -755.861 where: short stacking energy: -380.367 Base-Backbone interact. energy: 4.008 local terms energy: -544.201946 where: bonds (distance) C4'-P energy: -124.384 bonds (distance) P-C4' energy: -142.390 flat angles C4'-P-C4' energy: -143.852 flat angles P-C4'-P energy: -77.740 tors. eta vs tors. theta energy: -55.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -986.612869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.612869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.612869 (E_RNA) where: Base-Base interactions energy: -552.632 where: short stacking energy: -278.739 Base-Backbone interact. energy: 3.196 local terms energy: -437.177178 where: bonds (distance) C4'-P energy: -130.834 bonds (distance) P-C4' energy: -142.588 flat angles C4'-P-C4' energy: -117.897 flat angles P-C4'-P energy: -58.323 tors. eta vs tors. theta energy: 12.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -746.890382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.890382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.890382 (E_RNA) where: Base-Base interactions energy: -334.325 where: short stacking energy: -192.198 Base-Backbone interact. energy: 0.611 local terms energy: -413.176737 where: bonds (distance) C4'-P energy: -113.603 bonds (distance) P-C4' energy: -144.259 flat angles C4'-P-C4' energy: -96.297 flat angles P-C4'-P energy: -62.526 tors. eta vs tors. theta energy: 3.507 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: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2864.192453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.192453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.192453 (E_RNA) where: Base-Base interactions energy: -1984.546 where: short stacking energy: -841.965 Base-Backbone interact. energy: -5.402 local terms energy: -874.244528 where: bonds (distance) C4'-P energy: -152.752 bonds (distance) P-C4' energy: -138.958 flat angles C4'-P-C4' energy: -195.045 flat angles P-C4'-P energy: -132.491 tors. eta vs tors. theta energy: -254.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2829.388003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.388003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.388003 (E_RNA) where: Base-Base interactions energy: -1938.303 where: short stacking energy: -844.028 Base-Backbone interact. energy: -3.804 local terms energy: -887.280878 where: bonds (distance) C4'-P energy: -162.174 bonds (distance) P-C4' energy: -166.909 flat angles C4'-P-C4' energy: -178.879 flat angles P-C4'-P energy: -130.237 tors. eta vs tors. theta energy: -249.081 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: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2677.237255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.237255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.237255 (E_RNA) where: Base-Base interactions energy: -1849.435 where: short stacking energy: -752.286 Base-Backbone interact. energy: -2.498 local terms energy: -825.304217 where: bonds (distance) C4'-P energy: -149.976 bonds (distance) P-C4' energy: -166.340 flat angles C4'-P-C4' energy: -186.714 flat angles P-C4'-P energy: -107.191 tors. eta vs tors. theta energy: -215.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2592.097476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.097476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.097476 (E_RNA) where: Base-Base interactions energy: -1760.271 where: short stacking energy: -744.951 Base-Backbone interact. energy: -7.068 local terms energy: -824.758567 where: bonds (distance) C4'-P energy: -169.707 bonds (distance) P-C4' energy: -162.203 flat angles C4'-P-C4' energy: -155.852 flat angles P-C4'-P energy: -113.324 tors. eta vs tors. theta energy: -223.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2353.168231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.168231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.168231 (E_RNA) where: Base-Base interactions energy: -1627.048 where: short stacking energy: -676.315 Base-Backbone interact. energy: -4.902 local terms energy: -721.218781 where: bonds (distance) C4'-P energy: -150.554 bonds (distance) P-C4' energy: -141.210 flat angles C4'-P-C4' energy: -148.344 flat angles P-C4'-P energy: -97.829 tors. eta vs tors. theta energy: -183.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2128.520516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.520516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.520516 (E_RNA) where: Base-Base interactions energy: -1391.772 where: short stacking energy: -619.253 Base-Backbone interact. energy: -2.148 local terms energy: -734.600368 where: bonds (distance) C4'-P energy: -146.790 bonds (distance) P-C4' energy: -130.644 flat angles C4'-P-C4' energy: -164.858 flat angles P-C4'-P energy: -117.209 tors. eta vs tors. theta energy: -175.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1728.957034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.957034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.957034 (E_RNA) where: Base-Base interactions energy: -1091.353 where: short stacking energy: -475.323 Base-Backbone interact. energy: 1.030 local terms energy: -638.633530 where: bonds (distance) C4'-P energy: -149.772 bonds (distance) P-C4' energy: -136.806 flat angles C4'-P-C4' energy: -155.229 flat angles P-C4'-P energy: -96.471 tors. eta vs tors. theta energy: -100.356 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: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1319.177046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.177046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.177046 (E_RNA) where: Base-Base interactions energy: -793.770 where: short stacking energy: -358.706 Base-Backbone interact. energy: -1.237 local terms energy: -524.170109 where: bonds (distance) C4'-P energy: -118.928 bonds (distance) P-C4' energy: -134.605 flat angles C4'-P-C4' energy: -143.048 flat angles P-C4'-P energy: -79.453 tors. eta vs tors. theta energy: -48.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -985.808694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.808694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.808694 (E_RNA) where: Base-Base interactions energy: -514.006 where: short stacking energy: -272.079 Base-Backbone interact. energy: -1.369 local terms energy: -470.433752 where: bonds (distance) C4'-P energy: -141.514 bonds (distance) P-C4' energy: -135.822 flat angles C4'-P-C4' energy: -105.757 flat angles P-C4'-P energy: -79.383 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -739.161416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.161416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.161416 (E_RNA) where: Base-Base interactions energy: -303.935 where: short stacking energy: -201.938 Base-Backbone interact. energy: 5.562 local terms energy: -440.789082 where: bonds (distance) C4'-P energy: -139.109 bonds (distance) P-C4' energy: -148.130 flat angles C4'-P-C4' energy: -107.228 flat angles P-C4'-P energy: -51.851 tors. eta vs tors. theta energy: 5.529 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: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2866.199585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.199585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.199585 (E_RNA) where: Base-Base interactions energy: -1961.807 where: short stacking energy: -832.252 Base-Backbone interact. energy: -4.209 local terms energy: -900.184184 where: bonds (distance) C4'-P energy: -164.299 bonds (distance) P-C4' energy: -166.723 flat angles C4'-P-C4' energy: -194.775 flat angles P-C4'-P energy: -128.328 tors. eta vs tors. theta energy: -246.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2815.955677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.955677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.955677 (E_RNA) where: Base-Base interactions energy: -1961.699 where: short stacking energy: -822.102 Base-Backbone interact. energy: 3.000 local terms energy: -857.256852 where: bonds (distance) C4'-P energy: -160.746 bonds (distance) P-C4' energy: -154.515 flat angles C4'-P-C4' energy: -180.859 flat angles P-C4'-P energy: -127.255 tors. eta vs tors. theta energy: -233.881 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: 383 Temperature: 1.000000 Total energy: -2686.570230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.570230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.570230 (E_RNA) where: Base-Base interactions energy: -1857.046 where: short stacking energy: -794.130 Base-Backbone interact. energy: -0.309 local terms energy: -829.214550 where: bonds (distance) C4'-P energy: -130.131 bonds (distance) P-C4' energy: -167.246 flat angles C4'-P-C4' energy: -186.454 flat angles P-C4'-P energy: -120.515 tors. eta vs tors. theta energy: -224.868 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: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2554.626715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.626715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.626715 (E_RNA) where: Base-Base interactions energy: -1748.095 where: short stacking energy: -752.648 Base-Backbone interact. energy: 2.173 local terms energy: -808.704358 where: bonds (distance) C4'-P energy: -140.012 bonds (distance) P-C4' energy: -149.620 flat angles C4'-P-C4' energy: -179.906 flat angles P-C4'-P energy: -99.246 tors. eta vs tors. theta energy: -239.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2360.050831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.050831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.050831 (E_RNA) where: Base-Base interactions energy: -1608.488 where: short stacking energy: -657.290 Base-Backbone interact. energy: 0.743 local terms energy: -752.305547 where: bonds (distance) C4'-P energy: -145.371 bonds (distance) P-C4' energy: -162.951 flat angles C4'-P-C4' energy: -168.803 flat angles P-C4'-P energy: -100.675 tors. eta vs tors. theta energy: -174.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2113.342027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.342027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.342027 (E_RNA) where: Base-Base interactions energy: -1407.993 where: short stacking energy: -600.036 Base-Backbone interact. energy: -1.556 local terms energy: -703.792487 where: bonds (distance) C4'-P energy: -128.841 bonds (distance) P-C4' energy: -143.490 flat angles C4'-P-C4' energy: -159.758 flat angles P-C4'-P energy: -108.322 tors. eta vs tors. theta energy: -163.381 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: 7, replica: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1703.238812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.238812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.238812 (E_RNA) where: Base-Base interactions energy: -1096.797 where: short stacking energy: -482.706 Base-Backbone interact. energy: -4.708 local terms energy: -601.734036 where: bonds (distance) C4'-P energy: -150.279 bonds (distance) P-C4' energy: -144.333 flat angles C4'-P-C4' energy: -139.866 flat angles P-C4'-P energy: -76.640 tors. eta vs tors. theta energy: -90.617 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: 383 Temperature: 1.250000 Total energy: -1382.401228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.401228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.401228 (E_RNA) where: Base-Base interactions energy: -847.775 where: short stacking energy: -379.768 Base-Backbone interact. energy: 4.642 local terms energy: -539.268019 where: bonds (distance) C4'-P energy: -114.369 bonds (distance) P-C4' energy: -142.260 flat angles C4'-P-C4' energy: -132.692 flat angles P-C4'-P energy: -100.956 tors. eta vs tors. theta energy: -48.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -931.260826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.260826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.260826 (E_RNA) where: Base-Base interactions energy: -483.899 where: short stacking energy: -254.429 Base-Backbone interact. energy: -1.022 local terms energy: -446.339302 where: bonds (distance) C4'-P energy: -123.450 bonds (distance) P-C4' energy: -125.080 flat angles C4'-P-C4' energy: -117.501 flat angles P-C4'-P energy: -77.281 tors. eta vs tors. theta energy: -3.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -779.935795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.935795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.935795 (E_RNA) where: Base-Base interactions energy: -362.153 where: short stacking energy: -221.331 Base-Backbone interact. energy: 4.562 local terms energy: -422.344467 where: bonds (distance) C4'-P energy: -109.743 bonds (distance) P-C4' energy: -150.690 flat angles C4'-P-C4' energy: -121.499 flat angles P-C4'-P energy: -61.569 tors. eta vs tors. theta energy: 21.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2901.643031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.643031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.643031 (E_RNA) where: Base-Base interactions energy: -2040.460 where: short stacking energy: -844.811 Base-Backbone interact. energy: -2.541 local terms energy: -858.642775 where: bonds (distance) C4'-P energy: -148.819 bonds (distance) P-C4' energy: -168.240 flat angles C4'-P-C4' energy: -184.059 flat angles P-C4'-P energy: -120.287 tors. eta vs tors. theta energy: -237.238 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: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2751.552476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.552476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.552476 (E_RNA) where: Base-Base interactions energy: -1897.751 where: short stacking energy: -787.644 Base-Backbone interact. energy: -3.001 local terms energy: -850.800048 where: bonds (distance) C4'-P energy: -149.748 bonds (distance) P-C4' energy: -158.826 flat angles C4'-P-C4' energy: -183.200 flat angles P-C4'-P energy: -115.414 tors. eta vs tors. theta energy: -243.612 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: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2660.865232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.865232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.865232 (E_RNA) where: Base-Base interactions energy: -1814.057 where: short stacking energy: -765.844 Base-Backbone interact. energy: -2.978 local terms energy: -843.829671 where: bonds (distance) C4'-P energy: -150.739 bonds (distance) P-C4' energy: -159.528 flat angles C4'-P-C4' energy: -181.655 flat angles P-C4'-P energy: -129.664 tors. eta vs tors. theta energy: -222.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2561.807752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.807752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.807752 (E_RNA) where: Base-Base interactions energy: -1749.938 where: short stacking energy: -750.171 Base-Backbone interact. energy: -2.487 local terms energy: -809.382207 where: bonds (distance) C4'-P energy: -159.665 bonds (distance) P-C4' energy: -139.570 flat angles C4'-P-C4' energy: -188.450 flat angles P-C4'-P energy: -105.455 tors. eta vs tors. theta energy: -216.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2420.844872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.844872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.844872 (E_RNA) where: Base-Base interactions energy: -1606.439 where: short stacking energy: -704.697 Base-Backbone interact. energy: -2.815 local terms energy: -811.590915 where: bonds (distance) C4'-P energy: -175.905 bonds (distance) P-C4' energy: -147.755 flat angles C4'-P-C4' energy: -179.374 flat angles P-C4'-P energy: -112.740 tors. eta vs tors. theta energy: -195.817 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: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2062.070956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.070956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.070956 (E_RNA) where: Base-Base interactions energy: -1367.367 where: short stacking energy: -617.464 Base-Backbone interact. energy: 0.035 local terms energy: -694.739405 where: bonds (distance) C4'-P energy: -139.605 bonds (distance) P-C4' energy: -144.080 flat angles C4'-P-C4' energy: -159.946 flat angles P-C4'-P energy: -98.230 tors. eta vs tors. theta energy: -152.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1700.440242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.440242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.440242 (E_RNA) where: Base-Base interactions energy: -1064.773 where: short stacking energy: -462.632 Base-Backbone interact. energy: -1.516 local terms energy: -634.151112 where: bonds (distance) C4'-P energy: -124.887 bonds (distance) P-C4' energy: -152.938 flat angles C4'-P-C4' energy: -150.824 flat angles P-C4'-P energy: -107.457 tors. eta vs tors. theta energy: -98.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1359.207999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.207999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.207999 (E_RNA) where: Base-Base interactions energy: -824.640 where: short stacking energy: -403.551 Base-Backbone interact. energy: 6.062 local terms energy: -540.629837 where: bonds (distance) C4'-P energy: -123.227 bonds (distance) P-C4' energy: -127.062 flat angles C4'-P-C4' energy: -147.180 flat angles P-C4'-P energy: -89.794 tors. eta vs tors. theta energy: -53.367 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: 6 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -901.368137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.368137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.368137 (E_RNA) where: Base-Base interactions energy: -458.290 where: short stacking energy: -250.345 Base-Backbone interact. energy: 1.416 local terms energy: -444.493906 where: bonds (distance) C4'-P energy: -128.298 bonds (distance) P-C4' energy: -129.987 flat angles C4'-P-C4' energy: -115.163 flat angles P-C4'-P energy: -90.340 tors. eta vs tors. theta energy: 19.294 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: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -715.243922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.243922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.243922 (E_RNA) where: Base-Base interactions energy: -306.352 where: short stacking energy: -197.628 Base-Backbone interact. energy: 1.886 local terms energy: -410.778255 where: bonds (distance) C4'-P energy: -122.220 bonds (distance) P-C4' energy: -147.590 flat angles C4'-P-C4' energy: -104.624 flat angles P-C4'-P energy: -71.831 tors. eta vs tors. theta energy: 35.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2889.513582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.513582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.513582 (E_RNA) where: Base-Base interactions energy: -1988.787 where: short stacking energy: -851.143 Base-Backbone interact. energy: -0.962 local terms energy: -899.764206 where: bonds (distance) C4'-P energy: -161.445 bonds (distance) P-C4' energy: -159.863 flat angles C4'-P-C4' energy: -191.816 flat angles P-C4'-P energy: -138.135 tors. eta vs tors. theta energy: -248.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2792.147720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.147720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.147720 (E_RNA) where: Base-Base interactions energy: -1941.978 where: short stacking energy: -836.501 Base-Backbone interact. energy: 0.479 local terms energy: -850.648583 where: bonds (distance) C4'-P energy: -142.678 bonds (distance) P-C4' energy: -166.103 flat angles C4'-P-C4' energy: -181.507 flat angles P-C4'-P energy: -110.918 tors. eta vs tors. theta energy: -249.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2662.904971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.904971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.904971 (E_RNA) where: Base-Base interactions energy: -1873.727 where: short stacking energy: -762.792 Base-Backbone interact. energy: -1.849 local terms energy: -787.329664 where: bonds (distance) C4'-P energy: -148.459 bonds (distance) P-C4' energy: -140.701 flat angles C4'-P-C4' energy: -164.540 flat angles P-C4'-P energy: -115.394 tors. eta vs tors. theta energy: -218.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2520.092053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.092053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.092053 (E_RNA) where: Base-Base interactions energy: -1731.037 where: short stacking energy: -706.734 Base-Backbone interact. energy: 5.879 local terms energy: -794.933636 where: bonds (distance) C4'-P energy: -123.811 bonds (distance) P-C4' energy: -158.310 flat angles C4'-P-C4' energy: -169.255 flat angles P-C4'-P energy: -130.836 tors. eta vs tors. theta energy: -212.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2401.869837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.869837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.869837 (E_RNA) where: Base-Base interactions energy: -1633.900 where: short stacking energy: -709.655 Base-Backbone interact. energy: -0.549 local terms energy: -767.421301 where: bonds (distance) C4'-P energy: -145.276 bonds (distance) P-C4' energy: -152.495 flat angles C4'-P-C4' energy: -162.413 flat angles P-C4'-P energy: -96.859 tors. eta vs tors. theta energy: -210.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2118.418744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.418744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.418744 (E_RNA) where: Base-Base interactions energy: -1453.735 where: short stacking energy: -600.013 Base-Backbone interact. energy: -2.787 local terms energy: -661.895991 where: bonds (distance) C4'-P energy: -124.094 bonds (distance) P-C4' energy: -125.242 flat angles C4'-P-C4' energy: -162.713 flat angles P-C4'-P energy: -95.309 tors. eta vs tors. theta energy: -154.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1722.550166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.550166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.550166 (E_RNA) where: Base-Base interactions energy: -1122.480 where: short stacking energy: -472.475 Base-Backbone interact. energy: 6.233 local terms energy: -606.302547 where: bonds (distance) C4'-P energy: -136.299 bonds (distance) P-C4' energy: -137.793 flat angles C4'-P-C4' energy: -140.130 flat angles P-C4'-P energy: -98.426 tors. eta vs tors. theta energy: -93.656 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: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1327.868949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.868949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.868949 (E_RNA) where: Base-Base interactions energy: -782.294 where: short stacking energy: -369.581 Base-Backbone interact. energy: -1.532 local terms energy: -544.042879 where: bonds (distance) C4'-P energy: -143.417 bonds (distance) P-C4' energy: -151.826 flat angles C4'-P-C4' energy: -141.940 flat angles P-C4'-P energy: -68.265 tors. eta vs tors. theta energy: -38.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -965.250079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.250079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.250079 (E_RNA) where: Base-Base interactions energy: -475.149 where: short stacking energy: -279.407 Base-Backbone interact. energy: -2.236 local terms energy: -487.864691 where: bonds (distance) C4'-P energy: -133.417 bonds (distance) P-C4' energy: -150.751 flat angles C4'-P-C4' energy: -107.920 flat angles P-C4'-P energy: -83.314 tors. eta vs tors. theta energy: -12.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -708.984603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.984603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.984603 (E_RNA) where: Base-Base interactions energy: -267.940 where: short stacking energy: -171.940 Base-Backbone interact. energy: 0.385 local terms energy: -441.429295 where: bonds (distance) C4'-P energy: -150.153 bonds (distance) P-C4' energy: -145.418 flat angles C4'-P-C4' energy: -113.039 flat angles P-C4'-P energy: -64.913 tors. eta vs tors. theta energy: 32.092 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: 1, replica: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2879.533531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.533531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.533531 (E_RNA) where: Base-Base interactions energy: -1966.109 where: short stacking energy: -820.706 Base-Backbone interact. energy: -0.048 local terms energy: -913.376075 where: bonds (distance) C4'-P energy: -162.253 bonds (distance) P-C4' energy: -183.870 flat angles C4'-P-C4' energy: -206.173 flat angles P-C4'-P energy: -128.484 tors. eta vs tors. theta energy: -232.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2784.520745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.520745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.520745 (E_RNA) where: Base-Base interactions energy: -1937.789 where: short stacking energy: -786.870 Base-Backbone interact. energy: -4.347 local terms energy: -842.385271 where: bonds (distance) C4'-P energy: -159.977 bonds (distance) P-C4' energy: -148.023 flat angles C4'-P-C4' energy: -171.065 flat angles P-C4'-P energy: -127.212 tors. eta vs tors. theta energy: -236.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2670.308998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.308998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.308998 (E_RNA) where: Base-Base interactions energy: -1851.586 where: short stacking energy: -772.384 Base-Backbone interact. energy: -1.428 local terms energy: -817.294914 where: bonds (distance) C4'-P energy: -150.495 bonds (distance) P-C4' energy: -167.353 flat angles C4'-P-C4' energy: -173.508 flat angles P-C4'-P energy: -113.870 tors. eta vs tors. theta energy: -212.069 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: 2 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2544.784186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.784186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.784186 (E_RNA) where: Base-Base interactions energy: -1755.165 where: short stacking energy: -728.087 Base-Backbone interact. energy: -0.815 local terms energy: -788.804933 where: bonds (distance) C4'-P energy: -146.790 bonds (distance) P-C4' energy: -138.286 flat angles C4'-P-C4' energy: -168.812 flat angles P-C4'-P energy: -106.033 tors. eta vs tors. theta energy: -228.885 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: 10 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2377.995600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.995600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.995600 (E_RNA) where: Base-Base interactions energy: -1622.483 where: short stacking energy: -698.309 Base-Backbone interact. energy: -2.391 local terms energy: -753.121741 where: bonds (distance) C4'-P energy: -142.041 bonds (distance) P-C4' energy: -127.178 flat angles C4'-P-C4' energy: -170.128 flat angles P-C4'-P energy: -119.696 tors. eta vs tors. theta energy: -194.079 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: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2075.005584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.005584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.005584 (E_RNA) where: Base-Base interactions energy: -1391.726 where: short stacking energy: -621.633 Base-Backbone interact. energy: -2.032 local terms energy: -681.247501 where: bonds (distance) C4'-P energy: -119.692 bonds (distance) P-C4' energy: -139.414 flat angles C4'-P-C4' energy: -161.153 flat angles P-C4'-P energy: -112.301 tors. eta vs tors. theta energy: -148.687 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: 8 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1763.554844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.554844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.554844 (E_RNA) where: Base-Base interactions energy: -1168.777 where: short stacking energy: -500.247 Base-Backbone interact. energy: 2.588 local terms energy: -597.366351 where: bonds (distance) C4'-P energy: -109.861 bonds (distance) P-C4' energy: -145.672 flat angles C4'-P-C4' energy: -152.916 flat angles P-C4'-P energy: -87.307 tors. eta vs tors. theta energy: -101.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1308.163939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.163939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.163939 (E_RNA) where: Base-Base interactions energy: -788.130 where: short stacking energy: -392.888 Base-Backbone interact. energy: 5.999 local terms energy: -526.032785 where: bonds (distance) C4'-P energy: -119.727 bonds (distance) P-C4' energy: -149.408 flat angles C4'-P-C4' energy: -129.913 flat angles P-C4'-P energy: -85.259 tors. eta vs tors. theta energy: -41.726 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: 6 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -976.633342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.633342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.633342 (E_RNA) where: Base-Base interactions energy: -501.458 where: short stacking energy: -267.657 Base-Backbone interact. energy: -3.604 local terms energy: -471.571547 where: bonds (distance) C4'-P energy: -128.988 bonds (distance) P-C4' energy: -151.886 flat angles C4'-P-C4' energy: -114.712 flat angles P-C4'-P energy: -54.722 tors. eta vs tors. theta energy: -21.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -782.193829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.193829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.193829 (E_RNA) where: Base-Base interactions energy: -362.326 where: short stacking energy: -225.081 Base-Backbone interact. energy: 1.435 local terms energy: -421.302946 where: bonds (distance) C4'-P energy: -133.399 bonds (distance) P-C4' energy: -135.146 flat angles C4'-P-C4' energy: -110.509 flat angles P-C4'-P energy: -66.071 tors. eta vs tors. theta energy: 23.823 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: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2892.882145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.882145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.882145 (E_RNA) where: Base-Base interactions energy: -1991.055 where: short stacking energy: -839.483 Base-Backbone interact. energy: 3.096 local terms energy: -904.923174 where: bonds (distance) C4'-P energy: -171.143 bonds (distance) P-C4' energy: -164.603 flat angles C4'-P-C4' energy: -190.045 flat angles P-C4'-P energy: -130.803 tors. eta vs tors. theta energy: -248.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2833.990963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.990963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.990963 (E_RNA) where: Base-Base interactions energy: -1976.745 where: short stacking energy: -811.686 Base-Backbone interact. energy: -5.629 local terms energy: -851.616330 where: bonds (distance) C4'-P energy: -153.896 bonds (distance) P-C4' energy: -167.335 flat angles C4'-P-C4' energy: -174.728 flat angles P-C4'-P energy: -121.645 tors. eta vs tors. theta energy: -234.011 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: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2759.678009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.678009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.678009 (E_RNA) where: Base-Base interactions energy: -1905.598 where: short stacking energy: -782.633 Base-Backbone interact. energy: -0.740 local terms energy: -853.339272 where: bonds (distance) C4'-P energy: -155.466 bonds (distance) P-C4' energy: -164.579 flat angles C4'-P-C4' energy: -190.277 flat angles P-C4'-P energy: -117.987 tors. eta vs tors. theta energy: -225.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2515.590140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.590140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.590140 (E_RNA) where: Base-Base interactions energy: -1714.195 where: short stacking energy: -726.083 Base-Backbone interact. energy: -4.373 local terms energy: -797.022315 where: bonds (distance) C4'-P energy: -161.980 bonds (distance) P-C4' energy: -158.462 flat angles C4'-P-C4' energy: -166.633 flat angles P-C4'-P energy: -101.403 tors. eta vs tors. theta energy: -208.545 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: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2408.463236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.463236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.463236 (E_RNA) where: Base-Base interactions energy: -1676.718 where: short stacking energy: -709.115 Base-Backbone interact. energy: 1.101 local terms energy: -732.846462 where: bonds (distance) C4'-P energy: -131.190 bonds (distance) P-C4' energy: -139.352 flat angles C4'-P-C4' energy: -157.709 flat angles P-C4'-P energy: -98.509 tors. eta vs tors. theta energy: -206.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2109.344883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.344883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.344883 (E_RNA) where: Base-Base interactions energy: -1397.173 where: short stacking energy: -578.512 Base-Backbone interact. energy: -3.219 local terms energy: -708.951974 where: bonds (distance) C4'-P energy: -146.836 bonds (distance) P-C4' energy: -143.975 flat angles C4'-P-C4' energy: -151.942 flat angles P-C4'-P energy: -98.221 tors. eta vs tors. theta energy: -167.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1747.540946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.540946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.540946 (E_RNA) where: Base-Base interactions energy: -1110.108 where: short stacking energy: -466.372 Base-Backbone interact. energy: -6.816 local terms energy: -630.617025 where: bonds (distance) C4'-P energy: -131.898 bonds (distance) P-C4' energy: -151.405 flat angles C4'-P-C4' energy: -142.547 flat angles P-C4'-P energy: -98.072 tors. eta vs tors. theta energy: -106.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1289.024919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.024919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.024919 (E_RNA) where: Base-Base interactions energy: -706.092 where: short stacking energy: -375.893 Base-Backbone interact. energy: 4.274 local terms energy: -587.207185 where: bonds (distance) C4'-P energy: -134.950 bonds (distance) P-C4' energy: -149.036 flat angles C4'-P-C4' energy: -146.338 flat angles P-C4'-P energy: -102.215 tors. eta vs tors. theta energy: -54.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -943.645052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.645052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.645052 (E_RNA) where: Base-Base interactions energy: -450.055 where: short stacking energy: -259.361 Base-Backbone interact. energy: -2.071 local terms energy: -491.519541 where: bonds (distance) C4'-P energy: -134.554 bonds (distance) P-C4' energy: -132.195 flat angles C4'-P-C4' energy: -151.303 flat angles P-C4'-P energy: -58.731 tors. eta vs tors. theta energy: -14.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -764.249719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.249719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.249719 (E_RNA) where: Base-Base interactions energy: -340.548 where: short stacking energy: -193.345 Base-Backbone interact. energy: 0.464 local terms energy: -424.166063 where: bonds (distance) C4'-P energy: -116.989 bonds (distance) P-C4' energy: -138.164 flat angles C4'-P-C4' energy: -121.391 flat angles P-C4'-P energy: -69.870 tors. eta vs tors. theta energy: 22.248 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: 1, replica: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2874.604794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.604794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.604794 (E_RNA) where: Base-Base interactions energy: -1994.898 where: short stacking energy: -850.318 Base-Backbone interact. energy: -7.310 local terms energy: -872.396528 where: bonds (distance) C4'-P energy: -161.418 bonds (distance) P-C4' energy: -165.513 flat angles C4'-P-C4' energy: -179.790 flat angles P-C4'-P energy: -119.741 tors. eta vs tors. theta energy: -245.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2795.932011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.932011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.932011 (E_RNA) where: Base-Base interactions energy: -1927.277 where: short stacking energy: -828.319 Base-Backbone interact. energy: -0.268 local terms energy: -868.387017 where: bonds (distance) C4'-P energy: -156.067 bonds (distance) P-C4' energy: -157.722 flat angles C4'-P-C4' energy: -175.772 flat angles P-C4'-P energy: -127.995 tors. eta vs tors. theta energy: -250.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2669.184598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.184598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.184598 (E_RNA) where: Base-Base interactions energy: -1842.410 where: short stacking energy: -779.989 Base-Backbone interact. energy: -4.058 local terms energy: -822.715988 where: bonds (distance) C4'-P energy: -146.731 bonds (distance) P-C4' energy: -162.343 flat angles C4'-P-C4' energy: -168.524 flat angles P-C4'-P energy: -113.158 tors. eta vs tors. theta energy: -231.961 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: 2 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2545.216944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.216944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.216944 (E_RNA) where: Base-Base interactions energy: -1740.242 where: short stacking energy: -736.665 Base-Backbone interact. energy: 3.666 local terms energy: -808.641328 where: bonds (distance) C4'-P energy: -157.816 bonds (distance) P-C4' energy: -141.734 flat angles C4'-P-C4' energy: -163.951 flat angles P-C4'-P energy: -126.538 tors. eta vs tors. theta energy: -218.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2427.882572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.882572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.882572 (E_RNA) where: Base-Base interactions energy: -1661.407 where: short stacking energy: -708.577 Base-Backbone interact. energy: 0.596 local terms energy: -767.071683 where: bonds (distance) C4'-P energy: -130.898 bonds (distance) P-C4' energy: -144.206 flat angles C4'-P-C4' energy: -168.131 flat angles P-C4'-P energy: -113.825 tors. eta vs tors. theta energy: -210.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2100.672245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.672245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.672245 (E_RNA) where: Base-Base interactions energy: -1406.123 where: short stacking energy: -612.938 Base-Backbone interact. energy: 0.200 local terms energy: -694.749395 where: bonds (distance) C4'-P energy: -119.572 bonds (distance) P-C4' energy: -152.947 flat angles C4'-P-C4' energy: -171.342 flat angles P-C4'-P energy: -101.383 tors. eta vs tors. theta energy: -149.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1760.588843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.588843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.588843 (E_RNA) where: Base-Base interactions energy: -1138.639 where: short stacking energy: -490.705 Base-Backbone interact. energy: 2.450 local terms energy: -624.400502 where: bonds (distance) C4'-P energy: -144.981 bonds (distance) P-C4' energy: -152.984 flat angles C4'-P-C4' energy: -145.882 flat angles P-C4'-P energy: -73.870 tors. eta vs tors. theta energy: -106.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1322.471627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.471627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.471627 (E_RNA) where: Base-Base interactions energy: -769.072 where: short stacking energy: -382.511 Base-Backbone interact. energy: 0.039 local terms energy: -553.439226 where: bonds (distance) C4'-P energy: -135.971 bonds (distance) P-C4' energy: -148.187 flat angles C4'-P-C4' energy: -150.541 flat angles P-C4'-P energy: -68.987 tors. eta vs tors. theta energy: -49.753 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: 6 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -937.707152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.707152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.707152 (E_RNA) where: Base-Base interactions energy: -469.885 where: short stacking energy: -261.552 Base-Backbone interact. energy: -0.997 local terms energy: -466.825230 where: bonds (distance) C4'-P energy: -126.980 bonds (distance) P-C4' energy: -149.281 flat angles C4'-P-C4' energy: -106.734 flat angles P-C4'-P energy: -80.744 tors. eta vs tors. theta energy: -3.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -824.265009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.265009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.265009 (E_RNA) where: Base-Base interactions energy: -408.654 where: short stacking energy: -259.943 Base-Backbone interact. energy: 2.029 local terms energy: -417.640383 where: bonds (distance) C4'-P energy: -117.030 bonds (distance) P-C4' energy: -128.162 flat angles C4'-P-C4' energy: -120.084 flat angles P-C4'-P energy: -61.955 tors. eta vs tors. theta energy: 9.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2887.539404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.539404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.539404 (E_RNA) where: Base-Base interactions energy: -1985.983 where: short stacking energy: -831.452 Base-Backbone interact. energy: -4.176 local terms energy: -897.380531 where: bonds (distance) C4'-P energy: -171.918 bonds (distance) P-C4' energy: -162.272 flat angles C4'-P-C4' energy: -192.191 flat angles P-C4'-P energy: -123.763 tors. eta vs tors. theta energy: -247.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2803.953042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.953042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.953042 (E_RNA) where: Base-Base interactions energy: -1934.970 where: short stacking energy: -811.355 Base-Backbone interact. energy: 2.322 local terms energy: -871.305045 where: bonds (distance) C4'-P energy: -160.200 bonds (distance) P-C4' energy: -152.957 flat angles C4'-P-C4' energy: -195.233 flat angles P-C4'-P energy: -130.943 tors. eta vs tors. theta energy: -231.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2689.113791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.113791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.113791 (E_RNA) where: Base-Base interactions energy: -1842.741 where: short stacking energy: -759.700 Base-Backbone interact. energy: -7.154 local terms energy: -839.218583 where: bonds (distance) C4'-P energy: -176.357 bonds (distance) P-C4' energy: -152.367 flat angles C4'-P-C4' energy: -173.940 flat angles P-C4'-P energy: -127.014 tors. eta vs tors. theta energy: -209.541 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: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2594.583360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.583360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.583360 (E_RNA) where: Base-Base interactions energy: -1783.277 where: short stacking energy: -769.255 Base-Backbone interact. energy: 2.510 local terms energy: -813.816533 where: bonds (distance) C4'-P energy: -128.132 bonds (distance) P-C4' energy: -147.745 flat angles C4'-P-C4' energy: -171.807 flat angles P-C4'-P energy: -138.199 tors. eta vs tors. theta energy: -227.934 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: 5, replica: 10 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2361.985717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.985717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.985717 (E_RNA) where: Base-Base interactions energy: -1642.764 where: short stacking energy: -680.442 Base-Backbone interact. energy: 0.050 local terms energy: -719.272199 where: bonds (distance) C4'-P energy: -133.400 bonds (distance) P-C4' energy: -151.511 flat angles C4'-P-C4' energy: -155.223 flat angles P-C4'-P energy: -94.637 tors. eta vs tors. theta energy: -184.501 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: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2157.803866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.803866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.803866 (E_RNA) where: Base-Base interactions energy: -1456.870 where: short stacking energy: -648.273 Base-Backbone interact. energy: -1.590 local terms energy: -699.343919 where: bonds (distance) C4'-P energy: -123.454 bonds (distance) P-C4' energy: -146.925 flat angles C4'-P-C4' energy: -159.793 flat angles P-C4'-P energy: -95.317 tors. eta vs tors. theta energy: -173.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1696.666321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.666321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.666321 (E_RNA) where: Base-Base interactions energy: -1097.815 where: short stacking energy: -459.173 Base-Backbone interact. energy: -0.557 local terms energy: -598.294133 where: bonds (distance) C4'-P energy: -138.422 bonds (distance) P-C4' energy: -139.594 flat angles C4'-P-C4' energy: -151.793 flat angles P-C4'-P energy: -67.353 tors. eta vs tors. theta energy: -101.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1279.191894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.191894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.191894 (E_RNA) where: Base-Base interactions energy: -744.754 where: short stacking energy: -369.606 Base-Backbone interact. energy: 6.349 local terms energy: -540.786543 where: bonds (distance) C4'-P energy: -125.434 bonds (distance) P-C4' energy: -156.967 flat angles C4'-P-C4' energy: -142.854 flat angles P-C4'-P energy: -67.455 tors. eta vs tors. theta energy: -48.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -882.670200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.670200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.670200 (E_RNA) where: Base-Base interactions energy: -436.053 where: short stacking energy: -255.382 Base-Backbone interact. energy: 5.645 local terms energy: -452.261895 where: bonds (distance) C4'-P energy: -127.664 bonds (distance) P-C4' energy: -133.024 flat angles C4'-P-C4' energy: -129.494 flat angles P-C4'-P energy: -62.541 tors. eta vs tors. theta energy: 0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -869.667781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.667781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.667781 (E_RNA) where: Base-Base interactions energy: -452.800 where: short stacking energy: -248.071 Base-Backbone interact. energy: 3.332 local terms energy: -420.199763 where: bonds (distance) C4'-P energy: -120.971 bonds (distance) P-C4' energy: -146.618 flat angles C4'-P-C4' energy: -98.988 flat angles P-C4'-P energy: -62.760 tors. eta vs tors. theta energy: 9.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2865.438594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.438594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.438594 (E_RNA) where: Base-Base interactions energy: -1986.708 where: short stacking energy: -848.751 Base-Backbone interact. energy: -5.885 local terms energy: -872.845719 where: bonds (distance) C4'-P energy: -170.184 bonds (distance) P-C4' energy: -166.487 flat angles C4'-P-C4' energy: -168.917 flat angles P-C4'-P energy: -112.157 tors. eta vs tors. theta energy: -255.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2807.101116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.101116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.101116 (E_RNA) where: Base-Base interactions energy: -1955.524 where: short stacking energy: -816.881 Base-Backbone interact. energy: 2.983 local terms energy: -854.560560 where: bonds (distance) C4'-P energy: -166.749 bonds (distance) P-C4' energy: -136.533 flat angles C4'-P-C4' energy: -185.748 flat angles P-C4'-P energy: -123.920 tors. eta vs tors. theta energy: -241.611 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: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2660.724345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.724345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.724345 (E_RNA) where: Base-Base interactions energy: -1819.754 where: short stacking energy: -768.660 Base-Backbone interact. energy: -4.344 local terms energy: -836.625959 where: bonds (distance) C4'-P energy: -152.342 bonds (distance) P-C4' energy: -158.054 flat angles C4'-P-C4' energy: -191.459 flat angles P-C4'-P energy: -109.434 tors. eta vs tors. theta energy: -225.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2548.831615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.831615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.831615 (E_RNA) where: Base-Base interactions energy: -1758.928 where: short stacking energy: -756.010 Base-Backbone interact. energy: -4.463 local terms energy: -785.440004 where: bonds (distance) C4'-P energy: -146.674 bonds (distance) P-C4' energy: -138.097 flat angles C4'-P-C4' energy: -169.764 flat angles P-C4'-P energy: -126.324 tors. eta vs tors. theta energy: -204.580 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: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2391.613490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.613490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.613490 (E_RNA) where: Base-Base interactions energy: -1625.896 where: short stacking energy: -678.093 Base-Backbone interact. energy: -1.794 local terms energy: -763.923447 where: bonds (distance) C4'-P energy: -156.753 bonds (distance) P-C4' energy: -151.626 flat angles C4'-P-C4' energy: -158.000 flat angles P-C4'-P energy: -100.674 tors. eta vs tors. theta energy: -196.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2146.963781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.963781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.963781 (E_RNA) where: Base-Base interactions energy: -1447.960 where: short stacking energy: -629.671 Base-Backbone interact. energy: -2.485 local terms energy: -696.517981 where: bonds (distance) C4'-P energy: -150.907 bonds (distance) P-C4' energy: -130.604 flat angles C4'-P-C4' energy: -152.665 flat angles P-C4'-P energy: -92.218 tors. eta vs tors. theta energy: -170.124 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: 8 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1713.368271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.368271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.368271 (E_RNA) where: Base-Base interactions energy: -1111.226 where: short stacking energy: -488.174 Base-Backbone interact. energy: -0.226 local terms energy: -601.916771 where: bonds (distance) C4'-P energy: -122.276 bonds (distance) P-C4' energy: -134.370 flat angles C4'-P-C4' energy: -149.563 flat angles P-C4'-P energy: -91.932 tors. eta vs tors. theta energy: -103.776 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: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1345.367083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.367083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.367083 (E_RNA) where: Base-Base interactions energy: -782.351 where: short stacking energy: -375.332 Base-Backbone interact. energy: -2.234 local terms energy: -560.781517 where: bonds (distance) C4'-P energy: -157.238 bonds (distance) P-C4' energy: -141.074 flat angles C4'-P-C4' energy: -123.615 flat angles P-C4'-P energy: -77.015 tors. eta vs tors. theta energy: -61.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -882.820750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.820750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.820750 (E_RNA) where: Base-Base interactions energy: -389.364 where: short stacking energy: -222.263 Base-Backbone interact. energy: 1.420 local terms energy: -494.877007 where: bonds (distance) C4'-P energy: -130.629 bonds (distance) P-C4' energy: -166.543 flat angles C4'-P-C4' energy: -138.254 flat angles P-C4'-P energy: -69.172 tors. eta vs tors. theta energy: 9.721 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: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -796.773119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.773119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.773119 (E_RNA) where: Base-Base interactions energy: -389.947 where: short stacking energy: -237.775 Base-Backbone interact. energy: 7.004 local terms energy: -413.830845 where: bonds (distance) C4'-P energy: -99.267 bonds (distance) P-C4' energy: -138.613 flat angles C4'-P-C4' energy: -121.899 flat angles P-C4'-P energy: -61.978 tors. eta vs tors. theta energy: 7.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2897.164504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.164504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.164504 (E_RNA) where: Base-Base interactions energy: -1995.139 where: short stacking energy: -854.952 Base-Backbone interact. energy: -4.183 local terms energy: -897.843274 where: bonds (distance) C4'-P energy: -164.495 bonds (distance) P-C4' energy: -172.483 flat angles C4'-P-C4' energy: -192.394 flat angles P-C4'-P energy: -123.779 tors. eta vs tors. theta energy: -244.692 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: 2, replica: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2813.132955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.132955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.132955 (E_RNA) where: Base-Base interactions energy: -1955.504 where: short stacking energy: -827.329 Base-Backbone interact. energy: -1.218 local terms energy: -856.411433 where: bonds (distance) C4'-P energy: -165.272 bonds (distance) P-C4' energy: -153.756 flat angles C4'-P-C4' energy: -177.168 flat angles P-C4'-P energy: -114.183 tors. eta vs tors. theta energy: -246.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2658.975647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.975647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.975647 (E_RNA) where: Base-Base interactions energy: -1832.310 where: short stacking energy: -780.905 Base-Backbone interact. energy: 0.735 local terms energy: -827.401217 where: bonds (distance) C4'-P energy: -142.326 bonds (distance) P-C4' energy: -164.848 flat angles C4'-P-C4' energy: -183.729 flat angles P-C4'-P energy: -111.930 tors. eta vs tors. theta energy: -224.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2554.944663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.944663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.944663 (E_RNA) where: Base-Base interactions energy: -1763.880 where: short stacking energy: -743.233 Base-Backbone interact. energy: 2.840 local terms energy: -793.904756 where: bonds (distance) C4'-P energy: -139.090 bonds (distance) P-C4' energy: -158.912 flat angles C4'-P-C4' energy: -158.587 flat angles P-C4'-P energy: -115.238 tors. eta vs tors. theta energy: -222.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2393.508831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.508831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.508831 (E_RNA) where: Base-Base interactions energy: -1619.503 where: short stacking energy: -686.036 Base-Backbone interact. energy: -1.799 local terms energy: -772.206666 where: bonds (distance) C4'-P energy: -152.951 bonds (distance) P-C4' energy: -162.472 flat angles C4'-P-C4' energy: -162.870 flat angles P-C4'-P energy: -101.144 tors. eta vs tors. theta energy: -192.770 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: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2116.617528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.617528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.617528 (E_RNA) where: Base-Base interactions energy: -1437.260 where: short stacking energy: -606.160 Base-Backbone interact. energy: -0.362 local terms energy: -678.994913 where: bonds (distance) C4'-P energy: -117.633 bonds (distance) P-C4' energy: -155.350 flat angles C4'-P-C4' energy: -168.092 flat angles P-C4'-P energy: -92.163 tors. eta vs tors. theta energy: -145.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1751.462369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.462369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.462369 (E_RNA) where: Base-Base interactions energy: -1144.624 where: short stacking energy: -488.924 Base-Backbone interact. energy: -1.460 local terms energy: -605.378541 where: bonds (distance) C4'-P energy: -136.665 bonds (distance) P-C4' energy: -141.182 flat angles C4'-P-C4' energy: -144.516 flat angles P-C4'-P energy: -81.456 tors. eta vs tors. theta energy: -101.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1378.477133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.477133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.477133 (E_RNA) where: Base-Base interactions energy: -835.466 where: short stacking energy: -385.054 Base-Backbone interact. energy: -2.340 local terms energy: -540.671695 where: bonds (distance) C4'-P energy: -141.732 bonds (distance) P-C4' energy: -111.771 flat angles C4'-P-C4' energy: -120.971 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -70.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -877.492744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.492744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.492744 (E_RNA) where: Base-Base interactions energy: -419.579 where: short stacking energy: -271.405 Base-Backbone interact. energy: 6.379 local terms energy: -464.292889 where: bonds (distance) C4'-P energy: -135.979 bonds (distance) P-C4' energy: -140.397 flat angles C4'-P-C4' energy: -125.730 flat angles P-C4'-P energy: -67.110 tors. eta vs tors. theta energy: 4.924 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: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -766.447663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.447663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.447663 (E_RNA) where: Base-Base interactions energy: -345.850 where: short stacking energy: -204.616 Base-Backbone interact. energy: 3.169 local terms energy: -423.767104 where: bonds (distance) C4'-P energy: -124.649 bonds (distance) P-C4' energy: -137.726 flat angles C4'-P-C4' energy: -121.309 flat angles P-C4'-P energy: -62.398 tors. eta vs tors. theta energy: 22.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2848.345017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.345017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.345017 (E_RNA) where: Base-Base interactions energy: -1961.864 where: short stacking energy: -811.307 Base-Backbone interact. energy: -2.456 local terms energy: -884.024735 where: bonds (distance) C4'-P energy: -163.552 bonds (distance) P-C4' energy: -156.789 flat angles C4'-P-C4' energy: -189.069 flat angles P-C4'-P energy: -130.176 tors. eta vs tors. theta energy: -244.439 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: 2, replica: 7 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2796.463612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.463612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.463612 (E_RNA) where: Base-Base interactions energy: -1928.462 where: short stacking energy: -817.599 Base-Backbone interact. energy: 0.550 local terms energy: -868.551311 where: bonds (distance) C4'-P energy: -148.611 bonds (distance) P-C4' energy: -171.109 flat angles C4'-P-C4' energy: -177.770 flat angles P-C4'-P energy: -121.515 tors. eta vs tors. theta energy: -249.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2697.595401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.595401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.595401 (E_RNA) where: Base-Base interactions energy: -1871.665 where: short stacking energy: -762.682 Base-Backbone interact. energy: 1.401 local terms energy: -827.331449 where: bonds (distance) C4'-P energy: -161.195 bonds (distance) P-C4' energy: -159.309 flat angles C4'-P-C4' energy: -179.573 flat angles P-C4'-P energy: -101.123 tors. eta vs tors. theta energy: -226.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2550.395423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.395423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.395423 (E_RNA) where: Base-Base interactions energy: -1751.814 where: short stacking energy: -719.918 Base-Backbone interact. energy: -3.072 local terms energy: -795.509216 where: bonds (distance) C4'-P energy: -140.800 bonds (distance) P-C4' energy: -151.263 flat angles C4'-P-C4' energy: -173.219 flat angles P-C4'-P energy: -115.899 tors. eta vs tors. theta energy: -214.328 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: 10 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2335.885437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.885437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.885437 (E_RNA) where: Base-Base interactions energy: -1577.747 where: short stacking energy: -668.604 Base-Backbone interact. energy: 3.125 local terms energy: -761.263486 where: bonds (distance) C4'-P energy: -165.210 bonds (distance) P-C4' energy: -147.957 flat angles C4'-P-C4' energy: -165.728 flat angles P-C4'-P energy: -94.185 tors. eta vs tors. theta energy: -188.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2108.994177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.994177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.994177 (E_RNA) where: Base-Base interactions energy: -1382.637 where: short stacking energy: -595.905 Base-Backbone interact. energy: 1.837 local terms energy: -728.193743 where: bonds (distance) C4'-P energy: -128.070 bonds (distance) P-C4' energy: -145.481 flat angles C4'-P-C4' energy: -161.017 flat angles P-C4'-P energy: -118.893 tors. eta vs tors. theta energy: -174.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1768.081699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.081699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.081699 (E_RNA) where: Base-Base interactions energy: -1164.589 where: short stacking energy: -521.209 Base-Backbone interact. energy: -2.210 local terms energy: -601.282710 where: bonds (distance) C4'-P energy: -124.223 bonds (distance) P-C4' energy: -137.026 flat angles C4'-P-C4' energy: -137.469 flat angles P-C4'-P energy: -100.027 tors. eta vs tors. theta energy: -102.537 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: 8, replica: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1359.979334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.979334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.979334 (E_RNA) where: Base-Base interactions energy: -838.576 where: short stacking energy: -393.903 Base-Backbone interact. energy: 0.433 local terms energy: -521.836014 where: bonds (distance) C4'-P energy: -129.235 bonds (distance) P-C4' energy: -143.094 flat angles C4'-P-C4' energy: -125.770 flat angles P-C4'-P energy: -56.141 tors. eta vs tors. theta energy: -67.596 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: 6 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -957.545069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.545069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.545069 (E_RNA) where: Base-Base interactions energy: -502.449 where: short stacking energy: -272.448 Base-Backbone interact. energy: 0.487 local terms energy: -455.582861 where: bonds (distance) C4'-P energy: -127.358 bonds (distance) P-C4' energy: -134.853 flat angles C4'-P-C4' energy: -108.792 flat angles P-C4'-P energy: -67.301 tors. eta vs tors. theta energy: -17.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -748.699177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.699177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.699177 (E_RNA) where: Base-Base interactions energy: -323.135 where: short stacking energy: -210.018 Base-Backbone interact. energy: 2.203 local terms energy: -427.766827 where: bonds (distance) C4'-P energy: -134.345 bonds (distance) P-C4' energy: -137.905 flat angles C4'-P-C4' energy: -112.015 flat angles P-C4'-P energy: -72.721 tors. eta vs tors. theta energy: 29.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2897.238591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.238591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.238591 (E_RNA) where: Base-Base interactions energy: -1987.158 where: short stacking energy: -845.178 Base-Backbone interact. energy: -3.727 local terms energy: -906.353952 where: bonds (distance) C4'-P energy: -161.366 bonds (distance) P-C4' energy: -177.580 flat angles C4'-P-C4' energy: -192.515 flat angles P-C4'-P energy: -124.415 tors. eta vs tors. theta energy: -250.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2794.236445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.236445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.236445 (E_RNA) where: Base-Base interactions energy: -1948.197 where: short stacking energy: -821.761 Base-Backbone interact. energy: 0.797 local terms energy: -846.835826 where: bonds (distance) C4'-P energy: -133.265 bonds (distance) P-C4' energy: -167.807 flat angles C4'-P-C4' energy: -182.460 flat angles P-C4'-P energy: -123.191 tors. eta vs tors. theta energy: -240.113 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: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2698.863991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.863991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.863991 (E_RNA) where: Base-Base interactions energy: -1891.033 where: short stacking energy: -776.274 Base-Backbone interact. energy: -6.563 local terms energy: -801.267609 where: bonds (distance) C4'-P energy: -147.131 bonds (distance) P-C4' energy: -141.384 flat angles C4'-P-C4' energy: -177.907 flat angles P-C4'-P energy: -111.251 tors. eta vs tors. theta energy: -223.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2537.947664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.947664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.947664 (E_RNA) where: Base-Base interactions energy: -1720.364 where: short stacking energy: -734.150 Base-Backbone interact. energy: 1.621 local terms energy: -819.205188 where: bonds (distance) C4'-P energy: -149.699 bonds (distance) P-C4' energy: -159.405 flat angles C4'-P-C4' energy: -180.312 flat angles P-C4'-P energy: -106.353 tors. eta vs tors. theta energy: -223.436 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: 10 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2360.060572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.060572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.060572 (E_RNA) where: Base-Base interactions energy: -1601.463 where: short stacking energy: -667.465 Base-Backbone interact. energy: 1.639 local terms energy: -760.236904 where: bonds (distance) C4'-P energy: -152.074 bonds (distance) P-C4' energy: -156.009 flat angles C4'-P-C4' energy: -155.802 flat angles P-C4'-P energy: -110.863 tors. eta vs tors. theta energy: -185.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2062.965223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.965223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.965223 (E_RNA) where: Base-Base interactions energy: -1412.312 where: short stacking energy: -614.409 Base-Backbone interact. energy: -5.091 local terms energy: -645.562096 where: bonds (distance) C4'-P energy: -134.564 bonds (distance) P-C4' energy: -139.222 flat angles C4'-P-C4' energy: -138.405 flat angles P-C4'-P energy: -89.264 tors. eta vs tors. theta energy: -144.107 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: 393 Temperature: 1.200000 Total energy: -1732.983677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.983677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.983677 (E_RNA) where: Base-Base interactions energy: -1163.865 where: short stacking energy: -495.599 Base-Backbone interact. energy: -1.228 local terms energy: -567.890600 where: bonds (distance) C4'-P energy: -136.117 bonds (distance) P-C4' energy: -140.760 flat angles C4'-P-C4' energy: -118.731 flat angles P-C4'-P energy: -78.017 tors. eta vs tors. theta energy: -94.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1358.192347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.192347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.192347 (E_RNA) where: Base-Base interactions energy: -819.639 where: short stacking energy: -375.171 Base-Backbone interact. energy: -1.718 local terms energy: -536.835826 where: bonds (distance) C4'-P energy: -131.331 bonds (distance) P-C4' energy: -139.285 flat angles C4'-P-C4' energy: -134.324 flat angles P-C4'-P energy: -85.641 tors. eta vs tors. theta energy: -46.255 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: 6 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -939.507660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.507660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.507660 (E_RNA) where: Base-Base interactions energy: -440.232 where: short stacking energy: -256.410 Base-Backbone interact. energy: -0.722 local terms energy: -498.553877 where: bonds (distance) C4'-P energy: -140.229 bonds (distance) P-C4' energy: -162.718 flat angles C4'-P-C4' energy: -134.416 flat angles P-C4'-P energy: -77.301 tors. eta vs tors. theta energy: 16.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -739.234852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.234852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.234852 (E_RNA) where: Base-Base interactions energy: -296.097 where: short stacking energy: -187.522 Base-Backbone interact. energy: 1.515 local terms energy: -444.652995 where: bonds (distance) C4'-P energy: -139.671 bonds (distance) P-C4' energy: -134.810 flat angles C4'-P-C4' energy: -121.701 flat angles P-C4'-P energy: -67.955 tors. eta vs tors. theta energy: 19.483 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: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2855.079738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.079738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.079738 (E_RNA) where: Base-Base interactions energy: -1959.152 where: short stacking energy: -856.215 Base-Backbone interact. energy: -2.122 local terms energy: -893.805264 where: bonds (distance) C4'-P energy: -148.098 bonds (distance) P-C4' energy: -165.640 flat angles C4'-P-C4' energy: -196.307 flat angles P-C4'-P energy: -138.687 tors. eta vs tors. theta energy: -245.074 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: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2808.968566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.968566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.968566 (E_RNA) where: Base-Base interactions energy: -1933.109 where: short stacking energy: -829.450 Base-Backbone interact. energy: -1.168 local terms energy: -874.691991 where: bonds (distance) C4'-P energy: -159.471 bonds (distance) P-C4' energy: -164.462 flat angles C4'-P-C4' energy: -197.268 flat angles P-C4'-P energy: -118.233 tors. eta vs tors. theta energy: -235.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2673.902118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.902118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.902118 (E_RNA) where: Base-Base interactions energy: -1859.714 where: short stacking energy: -793.466 Base-Backbone interact. energy: -3.844 local terms energy: -810.345028 where: bonds (distance) C4'-P energy: -154.147 bonds (distance) P-C4' energy: -157.127 flat angles C4'-P-C4' energy: -175.279 flat angles P-C4'-P energy: -97.769 tors. eta vs tors. theta energy: -226.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2641.490130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.490130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.490130 (E_RNA) where: Base-Base interactions energy: -1823.830 where: short stacking energy: -749.287 Base-Backbone interact. energy: -2.148 local terms energy: -815.512188 where: bonds (distance) C4'-P energy: -153.025 bonds (distance) P-C4' energy: -148.529 flat angles C4'-P-C4' energy: -183.731 flat angles P-C4'-P energy: -110.746 tors. eta vs tors. theta energy: -219.483 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: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2340.970966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.970966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.970966 (E_RNA) where: Base-Base interactions energy: -1617.698 where: short stacking energy: -705.597 Base-Backbone interact. energy: -2.658 local terms energy: -720.615043 where: bonds (distance) C4'-P energy: -132.452 bonds (distance) P-C4' energy: -138.977 flat angles C4'-P-C4' energy: -148.994 flat angles P-C4'-P energy: -100.752 tors. eta vs tors. theta energy: -199.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2057.885706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.885706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.885706 (E_RNA) where: Base-Base interactions energy: -1367.904 where: short stacking energy: -598.791 Base-Backbone interact. energy: 4.467 local terms energy: -694.448961 where: bonds (distance) C4'-P energy: -146.353 bonds (distance) P-C4' energy: -157.859 flat angles C4'-P-C4' energy: -132.322 flat angles P-C4'-P energy: -95.508 tors. eta vs tors. theta energy: -162.406 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: 394 Temperature: 1.200000 Total energy: -1838.319935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.319935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.319935 (E_RNA) where: Base-Base interactions energy: -1190.480 where: short stacking energy: -506.921 Base-Backbone interact. energy: -2.365 local terms energy: -645.474198 where: bonds (distance) C4'-P energy: -140.194 bonds (distance) P-C4' energy: -142.331 flat angles C4'-P-C4' energy: -156.194 flat angles P-C4'-P energy: -107.125 tors. eta vs tors. theta energy: -99.630 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: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1305.903116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.903116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.903116 (E_RNA) where: Base-Base interactions energy: -789.172 where: short stacking energy: -361.093 Base-Backbone interact. energy: 2.779 local terms energy: -519.509774 where: bonds (distance) C4'-P energy: -119.610 bonds (distance) P-C4' energy: -145.020 flat angles C4'-P-C4' energy: -122.086 flat angles P-C4'-P energy: -94.858 tors. eta vs tors. theta energy: -37.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -791.592586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.592586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.592586 (E_RNA) where: Base-Base interactions energy: -345.628 where: short stacking energy: -267.499 Base-Backbone interact. energy: 1.071 local terms energy: -447.035791 where: bonds (distance) C4'-P energy: -131.834 bonds (distance) P-C4' energy: -139.500 flat angles C4'-P-C4' energy: -108.880 flat angles P-C4'-P energy: -50.232 tors. eta vs tors. theta energy: -16.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -855.266169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.266169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.266169 (E_RNA) where: Base-Base interactions energy: -411.708 where: short stacking energy: -239.499 Base-Backbone interact. energy: -1.328 local terms energy: -442.230019 where: bonds (distance) C4'-P energy: -120.523 bonds (distance) P-C4' energy: -131.143 flat angles C4'-P-C4' energy: -108.852 flat angles P-C4'-P energy: -83.279 tors. eta vs tors. theta energy: 1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2881.590503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.590503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.590503 (E_RNA) where: Base-Base interactions energy: -2007.900 where: short stacking energy: -854.232 Base-Backbone interact. energy: -4.041 local terms energy: -869.650469 where: bonds (distance) C4'-P energy: -162.864 bonds (distance) P-C4' energy: -156.947 flat angles C4'-P-C4' energy: -187.220 flat angles P-C4'-P energy: -119.967 tors. eta vs tors. theta energy: -242.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2810.864027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.864027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.864027 (E_RNA) where: Base-Base interactions energy: -1955.394 where: short stacking energy: -822.608 Base-Backbone interact. energy: -1.957 local terms energy: -853.513224 where: bonds (distance) C4'-P energy: -141.161 bonds (distance) P-C4' energy: -166.284 flat angles C4'-P-C4' energy: -186.978 flat angles P-C4'-P energy: -117.731 tors. eta vs tors. theta energy: -241.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2649.176519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.176519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.176519 (E_RNA) where: Base-Base interactions energy: -1791.348 where: short stacking energy: -792.216 Base-Backbone interact. energy: 1.977 local terms energy: -859.805739 where: bonds (distance) C4'-P energy: -153.577 bonds (distance) P-C4' energy: -164.387 flat angles C4'-P-C4' energy: -164.500 flat angles P-C4'-P energy: -128.484 tors. eta vs tors. theta energy: -248.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2609.977106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.977106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.977106 (E_RNA) where: Base-Base interactions energy: -1819.432 where: short stacking energy: -756.084 Base-Backbone interact. energy: 1.360 local terms energy: -791.905021 where: bonds (distance) C4'-P energy: -133.625 bonds (distance) P-C4' energy: -152.788 flat angles C4'-P-C4' energy: -173.436 flat angles P-C4'-P energy: -106.476 tors. eta vs tors. theta energy: -225.580 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: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2317.011294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.011294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.011294 (E_RNA) where: Base-Base interactions energy: -1583.824 where: short stacking energy: -663.356 Base-Backbone interact. energy: -4.896 local terms energy: -728.290937 where: bonds (distance) C4'-P energy: -139.637 bonds (distance) P-C4' energy: -153.307 flat angles C4'-P-C4' energy: -150.033 flat angles P-C4'-P energy: -104.845 tors. eta vs tors. theta energy: -180.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2074.357402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.357402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.357402 (E_RNA) where: Base-Base interactions energy: -1351.910 where: short stacking energy: -606.228 Base-Backbone interact. energy: 0.671 local terms energy: -723.118287 where: bonds (distance) C4'-P energy: -152.082 bonds (distance) P-C4' energy: -161.130 flat angles C4'-P-C4' energy: -153.323 flat angles P-C4'-P energy: -89.397 tors. eta vs tors. theta energy: -167.186 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: 8 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1854.933639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.933639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.933639 (E_RNA) where: Base-Base interactions energy: -1206.046 where: short stacking energy: -523.130 Base-Backbone interact. energy: -4.741 local terms energy: -644.147570 where: bonds (distance) C4'-P energy: -136.682 bonds (distance) P-C4' energy: -135.047 flat angles C4'-P-C4' energy: -157.950 flat angles P-C4'-P energy: -100.990 tors. eta vs tors. theta energy: -113.478 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: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1403.100706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.100706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.100706 (E_RNA) where: Base-Base interactions energy: -849.868 where: short stacking energy: -386.509 Base-Backbone interact. energy: -1.627 local terms energy: -551.605553 where: bonds (distance) C4'-P energy: -137.232 bonds (distance) P-C4' energy: -145.815 flat angles C4'-P-C4' energy: -140.550 flat angles P-C4'-P energy: -83.133 tors. eta vs tors. theta energy: -44.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -793.392224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.392224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.392224 (E_RNA) where: Base-Base interactions energy: -311.588 where: short stacking energy: -197.860 Base-Backbone interact. energy: -1.976 local terms energy: -479.827674 where: bonds (distance) C4'-P energy: -137.911 bonds (distance) P-C4' energy: -147.247 flat angles C4'-P-C4' energy: -112.067 flat angles P-C4'-P energy: -80.697 tors. eta vs tors. theta energy: -1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -844.638460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.638460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.638460 (E_RNA) where: Base-Base interactions energy: -414.797 where: short stacking energy: -233.310 Base-Backbone interact. energy: 0.401 local terms energy: -430.242768 where: bonds (distance) C4'-P energy: -117.919 bonds (distance) P-C4' energy: -134.109 flat angles C4'-P-C4' energy: -124.289 flat angles P-C4'-P energy: -64.019 tors. eta vs tors. theta energy: 10.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2898.681096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.681096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.681096 (E_RNA) where: Base-Base interactions energy: -1975.688 where: short stacking energy: -819.572 Base-Backbone interact. energy: -3.083 local terms energy: -919.910405 where: bonds (distance) C4'-P energy: -171.425 bonds (distance) P-C4' energy: -177.556 flat angles C4'-P-C4' energy: -179.462 flat angles P-C4'-P energy: -133.308 tors. eta vs tors. theta energy: -258.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2821.478712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.478712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.478712 (E_RNA) where: Base-Base interactions energy: -1961.536 where: short stacking energy: -815.772 Base-Backbone interact. energy: 5.367 local terms energy: -865.309388 where: bonds (distance) C4'-P energy: -141.828 bonds (distance) P-C4' energy: -178.226 flat angles C4'-P-C4' energy: -185.070 flat angles P-C4'-P energy: -128.237 tors. eta vs tors. theta energy: -231.948 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: 396 Temperature: 1.000000 Total energy: -2713.727974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.727974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.727974 (E_RNA) where: Base-Base interactions energy: -1911.432 where: short stacking energy: -788.634 Base-Backbone interact. energy: -3.117 local terms energy: -799.178710 where: bonds (distance) C4'-P energy: -149.223 bonds (distance) P-C4' energy: -143.472 flat angles C4'-P-C4' energy: -175.303 flat angles P-C4'-P energy: -106.687 tors. eta vs tors. theta energy: -224.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2528.603245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.603245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.603245 (E_RNA) where: Base-Base interactions energy: -1721.360 where: short stacking energy: -722.731 Base-Backbone interact. energy: -3.869 local terms energy: -803.373642 where: bonds (distance) C4'-P energy: -147.637 bonds (distance) P-C4' energy: -163.886 flat angles C4'-P-C4' energy: -178.091 flat angles P-C4'-P energy: -102.932 tors. eta vs tors. theta energy: -210.826 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: 10 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2328.831600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.831600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.831600 (E_RNA) where: Base-Base interactions energy: -1588.272 where: short stacking energy: -673.605 Base-Backbone interact. energy: -2.905 local terms energy: -737.654763 where: bonds (distance) C4'-P energy: -130.892 bonds (distance) P-C4' energy: -155.407 flat angles C4'-P-C4' energy: -165.475 flat angles P-C4'-P energy: -95.249 tors. eta vs tors. theta energy: -190.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2124.326407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.326407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.326407 (E_RNA) where: Base-Base interactions energy: -1416.935 where: short stacking energy: -665.288 Base-Backbone interact. energy: 2.744 local terms energy: -710.135658 where: bonds (distance) C4'-P energy: -127.245 bonds (distance) P-C4' energy: -141.704 flat angles C4'-P-C4' energy: -166.309 flat angles P-C4'-P energy: -84.213 tors. eta vs tors. theta energy: -190.665 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: 7, replica: 8 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1861.086904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.086904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.086904 (E_RNA) where: Base-Base interactions energy: -1219.304 where: short stacking energy: -529.721 Base-Backbone interact. energy: -6.396 local terms energy: -635.386875 where: bonds (distance) C4'-P energy: -157.483 bonds (distance) P-C4' energy: -133.358 flat angles C4'-P-C4' energy: -148.746 flat angles P-C4'-P energy: -68.923 tors. eta vs tors. theta energy: -126.876 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: 396 Temperature: 1.250000 Total energy: -1416.418174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.418174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.418174 (E_RNA) where: Base-Base interactions energy: -850.019 where: short stacking energy: -394.029 Base-Backbone interact. energy: -0.053 local terms energy: -566.345500 where: bonds (distance) C4'-P energy: -142.281 bonds (distance) P-C4' energy: -148.444 flat angles C4'-P-C4' energy: -133.168 flat angles P-C4'-P energy: -84.526 tors. eta vs tors. theta energy: -57.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -840.093735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.093735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.093735 (E_RNA) where: Base-Base interactions energy: -394.082 where: short stacking energy: -236.582 Base-Backbone interact. energy: -2.039 local terms energy: -443.972808 where: bonds (distance) C4'-P energy: -116.670 bonds (distance) P-C4' energy: -142.533 flat angles C4'-P-C4' energy: -133.906 flat angles P-C4'-P energy: -64.935 tors. eta vs tors. theta energy: 14.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -733.676650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.676650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.676650 (E_RNA) where: Base-Base interactions energy: -334.117 where: short stacking energy: -226.135 Base-Backbone interact. energy: 0.685 local terms energy: -400.243989 where: bonds (distance) C4'-P energy: -109.515 bonds (distance) P-C4' energy: -131.154 flat angles C4'-P-C4' energy: -103.646 flat angles P-C4'-P energy: -64.897 tors. eta vs tors. theta energy: 8.968 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: 1 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2892.195496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.195496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.195496 (E_RNA) where: Base-Base interactions energy: -2001.139 where: short stacking energy: -840.814 Base-Backbone interact. energy: -3.762 local terms energy: -887.294495 where: bonds (distance) C4'-P energy: -154.676 bonds (distance) P-C4' energy: -169.995 flat angles C4'-P-C4' energy: -199.299 flat angles P-C4'-P energy: -118.472 tors. eta vs tors. theta energy: -244.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2846.489343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.489343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.489343 (E_RNA) where: Base-Base interactions energy: -1969.229 where: short stacking energy: -822.967 Base-Backbone interact. energy: 4.248 local terms energy: -881.508080 where: bonds (distance) C4'-P energy: -174.085 bonds (distance) P-C4' energy: -171.377 flat angles C4'-P-C4' energy: -186.163 flat angles P-C4'-P energy: -120.565 tors. eta vs tors. theta energy: -229.318 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: 397 Temperature: 1.000000 Total energy: -2709.879395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.879395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.879395 (E_RNA) where: Base-Base interactions energy: -1872.524 where: short stacking energy: -761.713 Base-Backbone interact. energy: -4.428 local terms energy: -832.926707 where: bonds (distance) C4'-P energy: -165.659 bonds (distance) P-C4' energy: -150.664 flat angles C4'-P-C4' energy: -172.775 flat angles P-C4'-P energy: -120.844 tors. eta vs tors. theta energy: -222.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2474.562059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.562059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.562059 (E_RNA) where: Base-Base interactions energy: -1662.405 where: short stacking energy: -707.688 Base-Backbone interact. energy: -3.579 local terms energy: -808.578473 where: bonds (distance) C4'-P energy: -148.407 bonds (distance) P-C4' energy: -159.859 flat angles C4'-P-C4' energy: -176.665 flat angles P-C4'-P energy: -114.397 tors. eta vs tors. theta energy: -209.251 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: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2316.172859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.172859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.172859 (E_RNA) where: Base-Base interactions energy: -1552.906 where: short stacking energy: -668.117 Base-Backbone interact. energy: -1.574 local terms energy: -761.692594 where: bonds (distance) C4'-P energy: -147.102 bonds (distance) P-C4' energy: -155.474 flat angles C4'-P-C4' energy: -162.316 flat angles P-C4'-P energy: -115.273 tors. eta vs tors. theta energy: -181.527 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: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2057.037247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.037247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.037247 (E_RNA) where: Base-Base interactions energy: -1345.925 where: short stacking energy: -593.163 Base-Backbone interact. energy: -5.542 local terms energy: -705.570233 where: bonds (distance) C4'-P energy: -140.201 bonds (distance) P-C4' energy: -133.861 flat angles C4'-P-C4' energy: -155.380 flat angles P-C4'-P energy: -114.117 tors. eta vs tors. theta energy: -162.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1835.611954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.611954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.611954 (E_RNA) where: Base-Base interactions energy: -1173.703 where: short stacking energy: -532.008 Base-Backbone interact. energy: 1.750 local terms energy: -663.658248 where: bonds (distance) C4'-P energy: -135.798 bonds (distance) P-C4' energy: -151.633 flat angles C4'-P-C4' energy: -144.637 flat angles P-C4'-P energy: -109.403 tors. eta vs tors. theta energy: -122.188 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: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1474.313418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.313418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.313418 (E_RNA) where: Base-Base interactions energy: -901.183 where: short stacking energy: -431.248 Base-Backbone interact. energy: -0.706 local terms energy: -572.424627 where: bonds (distance) C4'-P energy: -125.689 bonds (distance) P-C4' energy: -145.888 flat angles C4'-P-C4' energy: -138.206 flat angles P-C4'-P energy: -75.842 tors. eta vs tors. theta energy: -86.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -870.334406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.334406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.334406 (E_RNA) where: Base-Base interactions energy: -423.926 where: short stacking energy: -248.423 Base-Backbone interact. energy: -4.594 local terms energy: -441.814471 where: bonds (distance) C4'-P energy: -148.168 bonds (distance) P-C4' energy: -143.663 flat angles C4'-P-C4' energy: -126.720 flat angles P-C4'-P energy: -30.943 tors. eta vs tors. theta energy: 7.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -737.664449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.664449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.664449 (E_RNA) where: Base-Base interactions energy: -304.990 where: short stacking energy: -194.593 Base-Backbone interact. energy: -2.982 local terms energy: -429.692454 where: bonds (distance) C4'-P energy: -126.584 bonds (distance) P-C4' energy: -139.101 flat angles C4'-P-C4' energy: -120.134 flat angles P-C4'-P energy: -62.746 tors. eta vs tors. theta energy: 18.871 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: 1, replica: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2853.307903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.307903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.307903 (E_RNA) where: Base-Base interactions energy: -1948.948 where: short stacking energy: -825.936 Base-Backbone interact. energy: -2.474 local terms energy: -901.885419 where: bonds (distance) C4'-P energy: -169.166 bonds (distance) P-C4' energy: -175.820 flat angles C4'-P-C4' energy: -182.816 flat angles P-C4'-P energy: -123.416 tors. eta vs tors. theta energy: -250.668 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: 2, replica: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2794.117133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.117133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.117133 (E_RNA) where: Base-Base interactions energy: -1921.036 where: short stacking energy: -796.147 Base-Backbone interact. energy: -2.198 local terms energy: -870.883440 where: bonds (distance) C4'-P energy: -167.561 bonds (distance) P-C4' energy: -172.662 flat angles C4'-P-C4' energy: -185.184 flat angles P-C4'-P energy: -117.364 tors. eta vs tors. theta energy: -228.113 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: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2661.764626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.764626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.764626 (E_RNA) where: Base-Base interactions energy: -1844.268 where: short stacking energy: -768.344 Base-Backbone interact. energy: -2.131 local terms energy: -815.365786 where: bonds (distance) C4'-P energy: -165.438 bonds (distance) P-C4' energy: -138.131 flat angles C4'-P-C4' energy: -166.039 flat angles P-C4'-P energy: -118.802 tors. eta vs tors. theta energy: -226.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2507.307771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.307771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.307771 (E_RNA) where: Base-Base interactions energy: -1697.331 where: short stacking energy: -732.912 Base-Backbone interact. energy: -4.906 local terms energy: -805.070288 where: bonds (distance) C4'-P energy: -142.595 bonds (distance) P-C4' energy: -142.163 flat angles C4'-P-C4' energy: -175.095 flat angles P-C4'-P energy: -123.212 tors. eta vs tors. theta energy: -222.005 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: 5, replica: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2274.023049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.023049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.023049 (E_RNA) where: Base-Base interactions energy: -1491.919 where: short stacking energy: -628.999 Base-Backbone interact. energy: -1.218 local terms energy: -780.886330 where: bonds (distance) C4'-P energy: -150.988 bonds (distance) P-C4' energy: -155.878 flat angles C4'-P-C4' energy: -160.359 flat angles P-C4'-P energy: -118.874 tors. eta vs tors. theta energy: -194.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2035.959191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.959191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.959191 (E_RNA) where: Base-Base interactions energy: -1345.724 where: short stacking energy: -598.991 Base-Backbone interact. energy: -2.054 local terms energy: -688.181521 where: bonds (distance) C4'-P energy: -139.836 bonds (distance) P-C4' energy: -148.714 flat angles C4'-P-C4' energy: -151.069 flat angles P-C4'-P energy: -90.376 tors. eta vs tors. theta energy: -158.187 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: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1771.923589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.923589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.923589 (E_RNA) where: Base-Base interactions energy: -1179.560 where: short stacking energy: -505.179 Base-Backbone interact. energy: 1.127 local terms energy: -593.489988 where: bonds (distance) C4'-P energy: -126.096 bonds (distance) P-C4' energy: -134.567 flat angles C4'-P-C4' energy: -160.226 flat angles P-C4'-P energy: -59.857 tors. eta vs tors. theta energy: -112.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1376.964371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.964371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.964371 (E_RNA) where: Base-Base interactions energy: -818.066 where: short stacking energy: -396.990 Base-Backbone interact. energy: -0.392 local terms energy: -558.506859 where: bonds (distance) C4'-P energy: -122.986 bonds (distance) P-C4' energy: -155.029 flat angles C4'-P-C4' energy: -142.234 flat angles P-C4'-P energy: -75.972 tors. eta vs tors. theta energy: -62.286 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: 6 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -909.942467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.942467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.942467 (E_RNA) where: Base-Base interactions energy: -462.019 where: short stacking energy: -267.139 Base-Backbone interact. energy: 0.767 local terms energy: -448.690408 where: bonds (distance) C4'-P energy: -120.096 bonds (distance) P-C4' energy: -136.595 flat angles C4'-P-C4' energy: -118.708 flat angles P-C4'-P energy: -62.645 tors. eta vs tors. theta energy: -10.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -756.915148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.915148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.915148 (E_RNA) where: Base-Base interactions energy: -322.103 where: short stacking energy: -209.239 Base-Backbone interact. energy: 7.023 local terms energy: -441.835025 where: bonds (distance) C4'-P energy: -127.435 bonds (distance) P-C4' energy: -137.807 flat angles C4'-P-C4' energy: -137.150 flat angles P-C4'-P energy: -42.546 tors. eta vs tors. theta energy: 3.103 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: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2887.525425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.525425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.525425 (E_RNA) where: Base-Base interactions energy: -2008.249 where: short stacking energy: -853.490 Base-Backbone interact. energy: -1.665 local terms energy: -877.610786 where: bonds (distance) C4'-P energy: -171.929 bonds (distance) P-C4' energy: -155.210 flat angles C4'-P-C4' energy: -180.335 flat angles P-C4'-P energy: -115.024 tors. eta vs tors. theta energy: -255.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2739.252555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.252555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.252555 (E_RNA) where: Base-Base interactions energy: -1891.115 where: short stacking energy: -789.553 Base-Backbone interact. energy: -6.036 local terms energy: -842.101452 where: bonds (distance) C4'-P energy: -147.543 bonds (distance) P-C4' energy: -173.243 flat angles C4'-P-C4' energy: -187.723 flat angles P-C4'-P energy: -111.932 tors. eta vs tors. theta energy: -221.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2714.455392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.455392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.455392 (E_RNA) where: Base-Base interactions energy: -1866.032 where: short stacking energy: -781.058 Base-Backbone interact. energy: -2.636 local terms energy: -845.787201 where: bonds (distance) C4'-P energy: -158.150 bonds (distance) P-C4' energy: -165.307 flat angles C4'-P-C4' energy: -178.839 flat angles P-C4'-P energy: -113.244 tors. eta vs tors. theta energy: -230.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2531.445372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.445372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.445372 (E_RNA) where: Base-Base interactions energy: -1736.766 where: short stacking energy: -753.228 Base-Backbone interact. energy: 3.293 local terms energy: -797.971602 where: bonds (distance) C4'-P energy: -141.001 bonds (distance) P-C4' energy: -144.814 flat angles C4'-P-C4' energy: -159.275 flat angles P-C4'-P energy: -109.320 tors. eta vs tors. theta energy: -243.561 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: 5, replica: 10 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2286.885642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.885642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.885642 (E_RNA) where: Base-Base interactions energy: -1541.641 where: short stacking energy: -685.461 Base-Backbone interact. energy: -0.446 local terms energy: -744.798926 where: bonds (distance) C4'-P energy: -143.961 bonds (distance) P-C4' energy: -157.460 flat angles C4'-P-C4' energy: -168.524 flat angles P-C4'-P energy: -98.942 tors. eta vs tors. theta energy: -175.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2080.333281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.333281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.333281 (E_RNA) where: Base-Base interactions energy: -1410.583 where: short stacking energy: -635.543 Base-Backbone interact. energy: -2.114 local terms energy: -667.636300 where: bonds (distance) C4'-P energy: -130.582 bonds (distance) P-C4' energy: -128.348 flat angles C4'-P-C4' energy: -146.316 flat angles P-C4'-P energy: -97.433 tors. eta vs tors. theta energy: -164.957 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: 399 Temperature: 1.200000 Total energy: -1832.141653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.141653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.141653 (E_RNA) where: Base-Base interactions energy: -1155.516 where: short stacking energy: -499.834 Base-Backbone interact. energy: -2.765 local terms energy: -673.860490 where: bonds (distance) C4'-P energy: -130.710 bonds (distance) P-C4' energy: -161.745 flat angles C4'-P-C4' energy: -166.918 flat angles P-C4'-P energy: -94.505 tors. eta vs tors. theta energy: -119.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1414.795518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.795518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.795518 (E_RNA) where: Base-Base interactions energy: -839.350 where: short stacking energy: -417.614 Base-Backbone interact. energy: -2.057 local terms energy: -573.389077 where: bonds (distance) C4'-P energy: -146.902 bonds (distance) P-C4' energy: -145.629 flat angles C4'-P-C4' energy: -131.975 flat angles P-C4'-P energy: -88.564 tors. eta vs tors. theta energy: -60.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -910.146439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.146439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.146439 (E_RNA) where: Base-Base interactions energy: -441.494 where: short stacking energy: -249.987 Base-Backbone interact. energy: 8.998 local terms energy: -477.650859 where: bonds (distance) C4'-P energy: -127.286 bonds (distance) P-C4' energy: -153.575 flat angles C4'-P-C4' energy: -138.749 flat angles P-C4'-P energy: -68.272 tors. eta vs tors. theta energy: 10.232 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: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -720.526867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.526867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.526867 (E_RNA) where: Base-Base interactions energy: -277.720 where: short stacking energy: -169.189 Base-Backbone interact. energy: 0.816 local terms energy: -443.622928 where: bonds (distance) C4'-P energy: -120.575 bonds (distance) P-C4' energy: -155.868 flat angles C4'-P-C4' energy: -115.552 flat angles P-C4'-P energy: -71.990 tors. eta vs tors. theta energy: 20.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2895.407995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.407995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.407995 (E_RNA) where: Base-Base interactions energy: -2000.235 where: short stacking energy: -824.589 Base-Backbone interact. energy: -2.713 local terms energy: -892.459576 where: bonds (distance) C4'-P energy: -162.445 bonds (distance) P-C4' energy: -181.856 flat angles C4'-P-C4' energy: -188.865 flat angles P-C4'-P energy: -121.199 tors. eta vs tors. theta energy: -238.094 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: 2, replica: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2708.567423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.567423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.567423 (E_RNA) where: Base-Base interactions energy: -1883.595 where: short stacking energy: -777.709 Base-Backbone interact. energy: -4.752 local terms energy: -820.220348 where: bonds (distance) C4'-P energy: -153.250 bonds (distance) P-C4' energy: -153.837 flat angles C4'-P-C4' energy: -180.755 flat angles P-C4'-P energy: -97.611 tors. eta vs tors. theta energy: -234.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2688.008939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.008939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.008939 (E_RNA) where: Base-Base interactions energy: -1864.683 where: short stacking energy: -777.006 Base-Backbone interact. energy: -3.022 local terms energy: -820.303719 where: bonds (distance) C4'-P energy: -142.113 bonds (distance) P-C4' energy: -150.048 flat angles C4'-P-C4' energy: -181.388 flat angles P-C4'-P energy: -123.387 tors. eta vs tors. theta energy: -223.368 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: 4, replica: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2655.738546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.738546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.738546 (E_RNA) where: Base-Base interactions energy: -1827.988 where: short stacking energy: -785.757 Base-Backbone interact. energy: -1.034 local terms energy: -826.715937 where: bonds (distance) C4'-P energy: -149.972 bonds (distance) P-C4' energy: -154.816 flat angles C4'-P-C4' energy: -174.966 flat angles P-C4'-P energy: -104.188 tors. eta vs tors. theta energy: -242.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2252.257488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.257488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.257488 (E_RNA) where: Base-Base interactions energy: -1488.079 where: short stacking energy: -638.550 Base-Backbone interact. energy: -1.818 local terms energy: -762.359990 where: bonds (distance) C4'-P energy: -142.027 bonds (distance) P-C4' energy: -171.049 flat angles C4'-P-C4' energy: -165.663 flat angles P-C4'-P energy: -106.635 tors. eta vs tors. theta energy: -176.986 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: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2072.386206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.386206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.386206 (E_RNA) where: Base-Base interactions energy: -1375.469 where: short stacking energy: -601.246 Base-Backbone interact. energy: -0.134 local terms energy: -696.782793 where: bonds (distance) C4'-P energy: -124.813 bonds (distance) P-C4' energy: -143.678 flat angles C4'-P-C4' energy: -154.507 flat angles P-C4'-P energy: -102.868 tors. eta vs tors. theta energy: -170.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1804.239638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.239638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.239638 (E_RNA) where: Base-Base interactions energy: -1179.896 where: short stacking energy: -492.918 Base-Backbone interact. energy: -0.188 local terms energy: -624.155016 where: bonds (distance) C4'-P energy: -142.656 bonds (distance) P-C4' energy: -159.981 flat angles C4'-P-C4' energy: -122.675 flat angles P-C4'-P energy: -96.315 tors. eta vs tors. theta energy: -102.528 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: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1391.638918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.638918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.638918 (E_RNA) where: Base-Base interactions energy: -835.678 where: short stacking energy: -375.741 Base-Backbone interact. energy: -3.366 local terms energy: -552.594819 where: bonds (distance) C4'-P energy: -110.251 bonds (distance) P-C4' energy: -151.125 flat angles C4'-P-C4' energy: -139.619 flat angles P-C4'-P energy: -88.599 tors. eta vs tors. theta energy: -63.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -883.512386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.512386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.512386 (E_RNA) where: Base-Base interactions energy: -428.858 where: short stacking energy: -259.301 Base-Backbone interact. energy: 2.003 local terms energy: -456.657480 where: bonds (distance) C4'-P energy: -124.241 bonds (distance) P-C4' energy: -146.690 flat angles C4'-P-C4' energy: -117.094 flat angles P-C4'-P energy: -77.295 tors. eta vs tors. theta energy: 8.663 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: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -746.169625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.169625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.169625 (E_RNA) where: Base-Base interactions energy: -344.327 where: short stacking energy: -197.862 Base-Backbone interact. energy: 1.731 local terms energy: -403.573236 where: bonds (distance) C4'-P energy: -137.690 bonds (distance) P-C4' energy: -126.331 flat angles C4'-P-C4' energy: -108.691 flat angles P-C4'-P energy: -54.690 tors. eta vs tors. theta energy: 23.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2916.208799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.208799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.208799 (E_RNA) where: Base-Base interactions energy: -2036.598 where: short stacking energy: -868.666 Base-Backbone interact. energy: -2.945 local terms energy: -876.665434 where: bonds (distance) C4'-P energy: -155.409 bonds (distance) P-C4' energy: -149.023 flat angles C4'-P-C4' energy: -195.547 flat angles P-C4'-P energy: -123.191 tors. eta vs tors. theta energy: -253.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2753.213591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.213591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.213591 (E_RNA) where: Base-Base interactions energy: -1919.367 where: short stacking energy: -796.176 Base-Backbone interact. energy: 3.949 local terms energy: -837.795592 where: bonds (distance) C4'-P energy: -155.807 bonds (distance) P-C4' energy: -155.601 flat angles C4'-P-C4' energy: -177.625 flat angles P-C4'-P energy: -116.605 tors. eta vs tors. theta energy: -232.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2753.932902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.932902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.932902 (E_RNA) where: Base-Base interactions energy: -1905.622 where: short stacking energy: -807.203 Base-Backbone interact. energy: 2.080 local terms energy: -850.390262 where: bonds (distance) C4'-P energy: -155.370 bonds (distance) P-C4' energy: -157.699 flat angles C4'-P-C4' energy: -179.158 flat angles P-C4'-P energy: -125.415 tors. eta vs tors. theta energy: -232.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2599.024121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.024121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.024121 (E_RNA) where: Base-Base interactions energy: -1788.400 where: short stacking energy: -748.979 Base-Backbone interact. energy: -1.953 local terms energy: -808.671162 where: bonds (distance) C4'-P energy: -153.927 bonds (distance) P-C4' energy: -165.248 flat angles C4'-P-C4' energy: -173.946 flat angles P-C4'-P energy: -92.181 tors. eta vs tors. theta energy: -223.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2319.403824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.403824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.403824 (E_RNA) where: Base-Base interactions energy: -1565.030 where: short stacking energy: -681.689 Base-Backbone interact. energy: -1.077 local terms energy: -753.296467 where: bonds (distance) C4'-P energy: -141.428 bonds (distance) P-C4' energy: -157.439 flat angles C4'-P-C4' energy: -162.659 flat angles P-C4'-P energy: -91.904 tors. eta vs tors. theta energy: -199.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2121.370328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.370328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.370328 (E_RNA) where: Base-Base interactions energy: -1417.606 where: short stacking energy: -643.187 Base-Backbone interact. energy: -2.326 local terms energy: -701.438585 where: bonds (distance) C4'-P energy: -137.684 bonds (distance) P-C4' energy: -151.316 flat angles C4'-P-C4' energy: -140.129 flat angles P-C4'-P energy: -96.873 tors. eta vs tors. theta energy: -175.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1715.241757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.241757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.241757 (E_RNA) where: Base-Base interactions energy: -1090.915 where: short stacking energy: -467.523 Base-Backbone interact. energy: -5.093 local terms energy: -619.234301 where: bonds (distance) C4'-P energy: -139.293 bonds (distance) P-C4' energy: -127.461 flat angles C4'-P-C4' energy: -148.000 flat angles P-C4'-P energy: -105.008 tors. eta vs tors. theta energy: -99.472 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: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1427.897235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.897235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.897235 (E_RNA) where: Base-Base interactions energy: -872.644 where: short stacking energy: -410.122 Base-Backbone interact. energy: 0.988 local terms energy: -556.241218 where: bonds (distance) C4'-P energy: -141.569 bonds (distance) P-C4' energy: -133.458 flat angles C4'-P-C4' energy: -128.524 flat angles P-C4'-P energy: -77.113 tors. eta vs tors. theta energy: -75.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -934.185762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.185762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.185762 (E_RNA) where: Base-Base interactions energy: -467.998 where: short stacking energy: -252.182 Base-Backbone interact. energy: 4.623 local terms energy: -470.811015 where: bonds (distance) C4'-P energy: -140.792 bonds (distance) P-C4' energy: -149.839 flat angles C4'-P-C4' energy: -122.768 flat angles P-C4'-P energy: -49.426 tors. eta vs tors. theta energy: -7.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -694.401209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.401209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.401209 (E_RNA) where: Base-Base interactions energy: -286.864 where: short stacking energy: -164.363 Base-Backbone interact. energy: 2.366 local terms energy: -409.903653 where: bonds (distance) C4'-P energy: -119.848 bonds (distance) P-C4' energy: -133.756 flat angles C4'-P-C4' energy: -118.783 flat angles P-C4'-P energy: -74.529 tors. eta vs tors. theta energy: 37.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2899.247407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.247407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.247407 (E_RNA) where: Base-Base interactions energy: -1994.366 where: short stacking energy: -838.322 Base-Backbone interact. energy: -5.014 local terms energy: -899.867891 where: bonds (distance) C4'-P energy: -158.733 bonds (distance) P-C4' energy: -171.076 flat angles C4'-P-C4' energy: -187.904 flat angles P-C4'-P energy: -136.316 tors. eta vs tors. theta energy: -245.840 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: 402 Temperature: 0.950000 Total energy: -2747.441368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.441368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.441368 (E_RNA) where: Base-Base interactions energy: -1931.224 where: short stacking energy: -801.530 Base-Backbone interact. energy: -5.716 local terms energy: -810.501544 where: bonds (distance) C4'-P energy: -146.617 bonds (distance) P-C4' energy: -154.658 flat angles C4'-P-C4' energy: -168.199 flat angles P-C4'-P energy: -117.862 tors. eta vs tors. theta energy: -223.166 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: 402 Temperature: 1.000000 Total energy: -2696.019271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.019271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.019271 (E_RNA) where: Base-Base interactions energy: -1851.908 where: short stacking energy: -793.961 Base-Backbone interact. energy: 0.787 local terms energy: -844.897654 where: bonds (distance) C4'-P energy: -159.847 bonds (distance) P-C4' energy: -139.766 flat angles C4'-P-C4' energy: -185.690 flat angles P-C4'-P energy: -113.064 tors. eta vs tors. theta energy: -246.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2638.383593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.383593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.383593 (E_RNA) where: Base-Base interactions energy: -1838.552 where: short stacking energy: -784.333 Base-Backbone interact. energy: -0.952 local terms energy: -798.879424 where: bonds (distance) C4'-P energy: -137.731 bonds (distance) P-C4' energy: -151.070 flat angles C4'-P-C4' energy: -168.074 flat angles P-C4'-P energy: -111.676 tors. eta vs tors. theta energy: -230.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2351.923830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.923830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.923830 (E_RNA) where: Base-Base interactions energy: -1593.487 where: short stacking energy: -662.837 Base-Backbone interact. energy: 3.035 local terms energy: -761.472120 where: bonds (distance) C4'-P energy: -144.342 bonds (distance) P-C4' energy: -152.244 flat angles C4'-P-C4' energy: -163.938 flat angles P-C4'-P energy: -103.959 tors. eta vs tors. theta energy: -196.989 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: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1986.638647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.638647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.638647 (E_RNA) where: Base-Base interactions energy: -1315.934 where: short stacking energy: -584.097 Base-Backbone interact. energy: 2.558 local terms energy: -673.262292 where: bonds (distance) C4'-P energy: -129.298 bonds (distance) P-C4' energy: -137.298 flat angles C4'-P-C4' energy: -159.716 flat angles P-C4'-P energy: -91.719 tors. eta vs tors. theta energy: -155.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1732.851183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.851183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.851183 (E_RNA) where: Base-Base interactions energy: -1126.238 where: short stacking energy: -494.807 Base-Backbone interact. energy: 12.049 local terms energy: -618.661643 where: bonds (distance) C4'-P energy: -119.486 bonds (distance) P-C4' energy: -163.759 flat angles C4'-P-C4' energy: -148.187 flat angles P-C4'-P energy: -81.723 tors. eta vs tors. theta energy: -105.506 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: 4 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1393.154122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.154122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.154122 (E_RNA) where: Base-Base interactions energy: -867.690 where: short stacking energy: -390.897 Base-Backbone interact. energy: 3.046 local terms energy: -528.510176 where: bonds (distance) C4'-P energy: -128.585 bonds (distance) P-C4' energy: -135.658 flat angles C4'-P-C4' energy: -105.390 flat angles P-C4'-P energy: -102.235 tors. eta vs tors. theta energy: -56.642 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: 9, replica: 6 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1004.572801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.572801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.572801 (E_RNA) where: Base-Base interactions energy: -528.471 where: short stacking energy: -311.438 Base-Backbone interact. energy: 12.856 local terms energy: -488.957675 where: bonds (distance) C4'-P energy: -117.825 bonds (distance) P-C4' energy: -143.088 flat angles C4'-P-C4' energy: -131.100 flat angles P-C4'-P energy: -68.267 tors. eta vs tors. theta energy: -28.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -727.710763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.710763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.710763 (E_RNA) where: Base-Base interactions energy: -304.644 where: short stacking energy: -202.216 Base-Backbone interact. energy: 3.363 local terms energy: -426.430289 where: bonds (distance) C4'-P energy: -129.887 bonds (distance) P-C4' energy: -158.127 flat angles C4'-P-C4' energy: -85.294 flat angles P-C4'-P energy: -64.100 tors. eta vs tors. theta energy: 10.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2906.004186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.004186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.004186 (E_RNA) where: Base-Base interactions energy: -1992.255 where: short stacking energy: -834.144 Base-Backbone interact. energy: -2.051 local terms energy: -911.698211 where: bonds (distance) C4'-P energy: -166.156 bonds (distance) P-C4' energy: -177.077 flat angles C4'-P-C4' energy: -179.860 flat angles P-C4'-P energy: -136.183 tors. eta vs tors. theta energy: -252.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2751.910267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.910267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.910267 (E_RNA) where: Base-Base interactions energy: -1909.945 where: short stacking energy: -802.913 Base-Backbone interact. energy: -3.414 local terms energy: -838.551574 where: bonds (distance) C4'-P energy: -139.066 bonds (distance) P-C4' energy: -154.518 flat angles C4'-P-C4' energy: -183.883 flat angles P-C4'-P energy: -125.793 tors. eta vs tors. theta energy: -235.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2725.562431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.562431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.562431 (E_RNA) where: Base-Base interactions energy: -1881.149 where: short stacking energy: -782.201 Base-Backbone interact. energy: -1.952 local terms energy: -842.461191 where: bonds (distance) C4'-P energy: -150.959 bonds (distance) P-C4' energy: -166.005 flat angles C4'-P-C4' energy: -183.286 flat angles P-C4'-P energy: -107.316 tors. eta vs tors. theta energy: -234.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2585.313621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.313621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.313621 (E_RNA) where: Base-Base interactions energy: -1747.294 where: short stacking energy: -772.220 Base-Backbone interact. energy: 0.561 local terms energy: -838.580644 where: bonds (distance) C4'-P energy: -139.639 bonds (distance) P-C4' energy: -178.382 flat angles C4'-P-C4' energy: -184.486 flat angles P-C4'-P energy: -110.600 tors. eta vs tors. theta energy: -225.474 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: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2354.145071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.145071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.145071 (E_RNA) where: Base-Base interactions energy: -1597.805 where: short stacking energy: -701.125 Base-Backbone interact. energy: -3.634 local terms energy: -752.705498 where: bonds (distance) C4'-P energy: -138.089 bonds (distance) P-C4' energy: -155.531 flat angles C4'-P-C4' energy: -160.159 flat angles P-C4'-P energy: -98.940 tors. eta vs tors. theta energy: -199.986 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: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2107.270628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.270628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.270628 (E_RNA) where: Base-Base interactions energy: -1370.427 where: short stacking energy: -601.398 Base-Backbone interact. energy: 0.858 local terms energy: -737.701743 where: bonds (distance) C4'-P energy: -135.836 bonds (distance) P-C4' energy: -163.187 flat angles C4'-P-C4' energy: -166.914 flat angles P-C4'-P energy: -113.016 tors. eta vs tors. theta energy: -158.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1684.377261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.377261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.377261 (E_RNA) where: Base-Base interactions energy: -1097.908 where: short stacking energy: -478.389 Base-Backbone interact. energy: 4.561 local terms energy: -591.030323 where: bonds (distance) C4'-P energy: -133.717 bonds (distance) P-C4' energy: -141.218 flat angles C4'-P-C4' energy: -136.366 flat angles P-C4'-P energy: -86.371 tors. eta vs tors. theta energy: -93.357 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: 4 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1370.371229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.371229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.371229 (E_RNA) where: Base-Base interactions energy: -846.557 where: short stacking energy: -434.712 Base-Backbone interact. energy: 2.674 local terms energy: -526.488742 where: bonds (distance) C4'-P energy: -101.617 bonds (distance) P-C4' energy: -145.604 flat angles C4'-P-C4' energy: -130.881 flat angles P-C4'-P energy: -93.946 tors. eta vs tors. theta energy: -54.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -955.511118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.511118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.511118 (E_RNA) where: Base-Base interactions energy: -462.456 where: short stacking energy: -264.501 Base-Backbone interact. energy: -1.918 local terms energy: -491.137232 where: bonds (distance) C4'-P energy: -131.479 bonds (distance) P-C4' energy: -144.047 flat angles C4'-P-C4' energy: -139.860 flat angles P-C4'-P energy: -80.518 tors. eta vs tors. theta energy: 4.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -713.286766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.286766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.286766 (E_RNA) where: Base-Base interactions energy: -313.637 where: short stacking energy: -218.277 Base-Backbone interact. energy: 4.230 local terms energy: -403.880496 where: bonds (distance) C4'-P energy: -126.843 bonds (distance) P-C4' energy: -121.868 flat angles C4'-P-C4' energy: -104.737 flat angles P-C4'-P energy: -67.398 tors. eta vs tors. theta energy: 16.965 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: 404 Temperature: 0.900000 Total energy: -2882.996885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.996885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.996885 (E_RNA) where: Base-Base interactions energy: -1978.443 where: short stacking energy: -854.912 Base-Backbone interact. energy: -2.923 local terms energy: -901.631020 where: bonds (distance) C4'-P energy: -156.005 bonds (distance) P-C4' energy: -163.015 flat angles C4'-P-C4' energy: -197.734 flat angles P-C4'-P energy: -122.268 tors. eta vs tors. theta energy: -262.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2737.014567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.014567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.014567 (E_RNA) where: Base-Base interactions energy: -1923.561 where: short stacking energy: -782.718 Base-Backbone interact. energy: 1.198 local terms energy: -814.652086 where: bonds (distance) C4'-P energy: -153.089 bonds (distance) P-C4' energy: -147.757 flat angles C4'-P-C4' energy: -168.449 flat angles P-C4'-P energy: -114.933 tors. eta vs tors. theta energy: -230.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2679.191291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.191291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.191291 (E_RNA) where: Base-Base interactions energy: -1808.886 where: short stacking energy: -781.719 Base-Backbone interact. energy: -2.079 local terms energy: -868.227102 where: bonds (distance) C4'-P energy: -151.355 bonds (distance) P-C4' energy: -172.632 flat angles C4'-P-C4' energy: -188.135 flat angles P-C4'-P energy: -112.468 tors. eta vs tors. theta energy: -243.637 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: 404 Temperature: 1.050000 Total energy: -2610.286159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.286159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.286159 (E_RNA) where: Base-Base interactions energy: -1825.171 where: short stacking energy: -767.218 Base-Backbone interact. energy: -2.005 local terms energy: -783.110084 where: bonds (distance) C4'-P energy: -147.809 bonds (distance) P-C4' energy: -145.524 flat angles C4'-P-C4' energy: -170.382 flat angles P-C4'-P energy: -105.483 tors. eta vs tors. theta energy: -213.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2305.297948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.297948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.297948 (E_RNA) where: Base-Base interactions energy: -1526.193 where: short stacking energy: -659.595 Base-Backbone interact. energy: 2.649 local terms energy: -781.754204 where: bonds (distance) C4'-P energy: -142.301 bonds (distance) P-C4' energy: -164.222 flat angles C4'-P-C4' energy: -171.874 flat angles P-C4'-P energy: -115.784 tors. eta vs tors. theta energy: -187.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2138.541296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.541296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.541296 (E_RNA) where: Base-Base interactions energy: -1402.800 where: short stacking energy: -626.731 Base-Backbone interact. energy: -3.738 local terms energy: -732.003464 where: bonds (distance) C4'-P energy: -140.552 bonds (distance) P-C4' energy: -142.677 flat angles C4'-P-C4' energy: -170.671 flat angles P-C4'-P energy: -100.425 tors. eta vs tors. theta energy: -177.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1800.134815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.134815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.134815 (E_RNA) where: Base-Base interactions energy: -1168.772 where: short stacking energy: -494.649 Base-Backbone interact. energy: -1.506 local terms energy: -629.856243 where: bonds (distance) C4'-P energy: -141.596 bonds (distance) P-C4' energy: -148.417 flat angles C4'-P-C4' energy: -138.649 flat angles P-C4'-P energy: -102.737 tors. eta vs tors. theta energy: -98.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1382.078384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.078384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.078384 (E_RNA) where: Base-Base interactions energy: -848.580 where: short stacking energy: -410.885 Base-Backbone interact. energy: 2.971 local terms energy: -536.469210 where: bonds (distance) C4'-P energy: -134.746 bonds (distance) P-C4' energy: -134.371 flat angles C4'-P-C4' energy: -128.858 flat angles P-C4'-P energy: -76.569 tors. eta vs tors. theta energy: -61.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -933.149533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.149533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.149533 (E_RNA) where: Base-Base interactions energy: -449.570 where: short stacking energy: -259.365 Base-Backbone interact. energy: -1.506 local terms energy: -482.073654 where: bonds (distance) C4'-P energy: -112.571 bonds (distance) P-C4' energy: -142.058 flat angles C4'-P-C4' energy: -152.430 flat angles P-C4'-P energy: -69.842 tors. eta vs tors. theta energy: -5.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -733.559793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.559793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.559793 (E_RNA) where: Base-Base interactions energy: -294.171 where: short stacking energy: -213.428 Base-Backbone interact. energy: 0.132 local terms energy: -439.521123 where: bonds (distance) C4'-P energy: -132.537 bonds (distance) P-C4' energy: -142.045 flat angles C4'-P-C4' energy: -118.217 flat angles P-C4'-P energy: -65.827 tors. eta vs tors. theta energy: 19.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2855.919474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.919474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.919474 (E_RNA) where: Base-Base interactions energy: -1939.160 where: short stacking energy: -818.744 Base-Backbone interact. energy: -5.639 local terms energy: -911.120124 where: bonds (distance) C4'-P energy: -168.093 bonds (distance) P-C4' energy: -188.435 flat angles C4'-P-C4' energy: -189.931 flat angles P-C4'-P energy: -121.777 tors. eta vs tors. theta energy: -242.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2773.032505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.032505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.032505 (E_RNA) where: Base-Base interactions energy: -1882.368 where: short stacking energy: -822.529 Base-Backbone interact. energy: -2.859 local terms energy: -887.806060 where: bonds (distance) C4'-P energy: -146.889 bonds (distance) P-C4' energy: -179.707 flat angles C4'-P-C4' energy: -177.225 flat angles P-C4'-P energy: -129.542 tors. eta vs tors. theta energy: -254.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2726.691325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.691325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.691325 (E_RNA) where: Base-Base interactions energy: -1884.293 where: short stacking energy: -784.270 Base-Backbone interact. energy: -3.759 local terms energy: -838.638605 where: bonds (distance) C4'-P energy: -157.609 bonds (distance) P-C4' energy: -151.315 flat angles C4'-P-C4' energy: -177.211 flat angles P-C4'-P energy: -113.084 tors. eta vs tors. theta energy: -239.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2538.374508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.374508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.374508 (E_RNA) where: Base-Base interactions energy: -1740.103 where: short stacking energy: -746.740 Base-Backbone interact. energy: -3.846 local terms energy: -794.425250 where: bonds (distance) C4'-P energy: -152.312 bonds (distance) P-C4' energy: -144.569 flat angles C4'-P-C4' energy: -172.965 flat angles P-C4'-P energy: -118.844 tors. eta vs tors. theta energy: -205.736 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: 10 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2298.777832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.777832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.777832 (E_RNA) where: Base-Base interactions energy: -1527.275 where: short stacking energy: -679.853 Base-Backbone interact. energy: 0.557 local terms energy: -772.059752 where: bonds (distance) C4'-P energy: -150.050 bonds (distance) P-C4' energy: -154.007 flat angles C4'-P-C4' energy: -163.942 flat angles P-C4'-P energy: -110.468 tors. eta vs tors. theta energy: -193.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2105.342471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.342471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.342471 (E_RNA) where: Base-Base interactions energy: -1389.943 where: short stacking energy: -624.623 Base-Backbone interact. energy: 0.309 local terms energy: -715.708787 where: bonds (distance) C4'-P energy: -144.312 bonds (distance) P-C4' energy: -148.656 flat angles C4'-P-C4' energy: -154.504 flat angles P-C4'-P energy: -87.379 tors. eta vs tors. theta energy: -180.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1790.969695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.969695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.969695 (E_RNA) where: Base-Base interactions energy: -1166.852 where: short stacking energy: -520.374 Base-Backbone interact. energy: 1.527 local terms energy: -625.644639 where: bonds (distance) C4'-P energy: -137.580 bonds (distance) P-C4' energy: -139.423 flat angles C4'-P-C4' energy: -151.451 flat angles P-C4'-P energy: -86.074 tors. eta vs tors. theta energy: -111.117 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: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1552.415746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.415746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.415746 (E_RNA) where: Base-Base interactions energy: -964.847 where: short stacking energy: -439.128 Base-Backbone interact. energy: -2.175 local terms energy: -585.393762 where: bonds (distance) C4'-P energy: -141.201 bonds (distance) P-C4' energy: -123.750 flat angles C4'-P-C4' energy: -128.959 flat angles P-C4'-P energy: -86.800 tors. eta vs tors. theta energy: -104.683 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: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -928.652512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.652512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.652512 (E_RNA) where: Base-Base interactions energy: -480.370 where: short stacking energy: -245.950 Base-Backbone interact. energy: -1.781 local terms energy: -446.500834 where: bonds (distance) C4'-P energy: -138.380 bonds (distance) P-C4' energy: -124.596 flat angles C4'-P-C4' energy: -128.339 flat angles P-C4'-P energy: -56.414 tors. eta vs tors. theta energy: 1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -724.623285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.623285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.623285 (E_RNA) where: Base-Base interactions energy: -311.455 where: short stacking energy: -193.460 Base-Backbone interact. energy: 6.055 local terms energy: -419.223338 where: bonds (distance) C4'-P energy: -133.535 bonds (distance) P-C4' energy: -133.024 flat angles C4'-P-C4' energy: -108.408 flat angles P-C4'-P energy: -72.489 tors. eta vs tors. theta energy: 28.232 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: 1 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2857.693638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.693638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.693638 (E_RNA) where: Base-Base interactions energy: -1944.425 where: short stacking energy: -822.494 Base-Backbone interact. energy: -6.089 local terms energy: -907.179620 where: bonds (distance) C4'-P energy: -173.684 bonds (distance) P-C4' energy: -175.066 flat angles C4'-P-C4' energy: -185.356 flat angles P-C4'-P energy: -117.361 tors. eta vs tors. theta energy: -255.714 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: 2, replica: 2 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2797.970100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.970100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.970100 (E_RNA) where: Base-Base interactions energy: -1924.721 where: short stacking energy: -816.499 Base-Backbone interact. energy: 1.461 local terms energy: -874.710404 where: bonds (distance) C4'-P energy: -151.718 bonds (distance) P-C4' energy: -159.048 flat angles C4'-P-C4' energy: -191.362 flat angles P-C4'-P energy: -122.954 tors. eta vs tors. theta energy: -249.629 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: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2690.268881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.268881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.268881 (E_RNA) where: Base-Base interactions energy: -1880.094 where: short stacking energy: -757.271 Base-Backbone interact. energy: -4.033 local terms energy: -806.141739 where: bonds (distance) C4'-P energy: -144.071 bonds (distance) P-C4' energy: -157.925 flat angles C4'-P-C4' energy: -179.586 flat angles P-C4'-P energy: -100.238 tors. eta vs tors. theta energy: -224.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2534.443943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.443943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.443943 (E_RNA) where: Base-Base interactions energy: -1759.720 where: short stacking energy: -719.477 Base-Backbone interact. energy: -0.597 local terms energy: -774.126454 where: bonds (distance) C4'-P energy: -130.850 bonds (distance) P-C4' energy: -154.027 flat angles C4'-P-C4' energy: -173.581 flat angles P-C4'-P energy: -107.826 tors. eta vs tors. theta energy: -207.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2299.606152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.606152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.606152 (E_RNA) where: Base-Base interactions energy: -1534.494 where: short stacking energy: -649.413 Base-Backbone interact. energy: -0.803 local terms energy: -764.309345 where: bonds (distance) C4'-P energy: -155.194 bonds (distance) P-C4' energy: -151.333 flat angles C4'-P-C4' energy: -164.583 flat angles P-C4'-P energy: -107.665 tors. eta vs tors. theta energy: -185.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2099.120012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.120012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.120012 (E_RNA) where: Base-Base interactions energy: -1380.050 where: short stacking energy: -573.244 Base-Backbone interact. energy: -0.120 local terms energy: -718.950571 where: bonds (distance) C4'-P energy: -140.786 bonds (distance) P-C4' energy: -155.855 flat angles C4'-P-C4' energy: -155.334 flat angles P-C4'-P energy: -110.880 tors. eta vs tors. theta energy: -156.095 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: 7, replica: 8 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1802.371323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.371323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.371323 (E_RNA) where: Base-Base interactions energy: -1155.450 where: short stacking energy: -491.056 Base-Backbone interact. energy: -5.019 local terms energy: -641.902353 where: bonds (distance) C4'-P energy: -136.588 bonds (distance) P-C4' energy: -150.759 flat angles C4'-P-C4' energy: -144.672 flat angles P-C4'-P energy: -104.322 tors. eta vs tors. theta energy: -105.562 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: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1498.684618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.684618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.684618 (E_RNA) where: Base-Base interactions energy: -899.705 where: short stacking energy: -441.051 Base-Backbone interact. energy: -2.587 local terms energy: -596.392798 where: bonds (distance) C4'-P energy: -142.705 bonds (distance) P-C4' energy: -139.156 flat angles C4'-P-C4' energy: -128.073 flat angles P-C4'-P energy: -103.683 tors. eta vs tors. theta energy: -82.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -922.268607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.268607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.268607 (E_RNA) where: Base-Base interactions energy: -439.745 where: short stacking energy: -267.888 Base-Backbone interact. energy: -3.890 local terms energy: -478.633787 where: bonds (distance) C4'-P energy: -129.808 bonds (distance) P-C4' energy: -151.445 flat angles C4'-P-C4' energy: -127.329 flat angles P-C4'-P energy: -62.331 tors. eta vs tors. theta energy: -7.721 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: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -689.290624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.290624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.290624 (E_RNA) where: Base-Base interactions energy: -271.052 where: short stacking energy: -184.857 Base-Backbone interact. energy: 1.886 local terms energy: -420.123941 where: bonds (distance) C4'-P energy: -135.807 bonds (distance) P-C4' energy: -134.466 flat angles C4'-P-C4' energy: -112.492 flat angles P-C4'-P energy: -54.179 tors. eta vs tors. theta energy: 16.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2834.018976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.018976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.018976 (E_RNA) where: Base-Base interactions energy: -1963.144 where: short stacking energy: -815.157 Base-Backbone interact. energy: -4.009 local terms energy: -866.866193 where: bonds (distance) C4'-P energy: -158.481 bonds (distance) P-C4' energy: -155.975 flat angles C4'-P-C4' energy: -187.465 flat angles P-C4'-P energy: -127.281 tors. eta vs tors. theta energy: -237.665 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: 407 Temperature: 0.950000 Total energy: -2809.301449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.301449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.301449 (E_RNA) where: Base-Base interactions energy: -1918.984 where: short stacking energy: -820.083 Base-Backbone interact. energy: -1.191 local terms energy: -889.126349 where: bonds (distance) C4'-P energy: -154.426 bonds (distance) P-C4' energy: -169.410 flat angles C4'-P-C4' energy: -193.979 flat angles P-C4'-P energy: -125.400 tors. eta vs tors. theta energy: -245.911 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: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2716.817737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.817737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.817737 (E_RNA) where: Base-Base interactions energy: -1867.780 where: short stacking energy: -822.302 Base-Backbone interact. energy: -2.025 local terms energy: -847.013126 where: bonds (distance) C4'-P energy: -156.879 bonds (distance) P-C4' energy: -153.019 flat angles C4'-P-C4' energy: -184.124 flat angles P-C4'-P energy: -122.056 tors. eta vs tors. theta energy: -230.935 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: 7 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2517.943995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.943995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.943995 (E_RNA) where: Base-Base interactions energy: -1727.375 where: short stacking energy: -753.063 Base-Backbone interact. energy: -0.942 local terms energy: -789.626901 where: bonds (distance) C4'-P energy: -132.375 bonds (distance) P-C4' energy: -150.784 flat angles C4'-P-C4' energy: -177.321 flat angles P-C4'-P energy: -121.070 tors. eta vs tors. theta energy: -208.077 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: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2301.227794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.227794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.227794 (E_RNA) where: Base-Base interactions energy: -1554.980 where: short stacking energy: -680.868 Base-Backbone interact. energy: 1.134 local terms energy: -747.381900 where: bonds (distance) C4'-P energy: -121.796 bonds (distance) P-C4' energy: -159.824 flat angles C4'-P-C4' energy: -168.602 flat angles P-C4'-P energy: -102.870 tors. eta vs tors. theta energy: -194.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2084.067332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.067332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.067332 (E_RNA) where: Base-Base interactions energy: -1378.205 where: short stacking energy: -610.696 Base-Backbone interact. energy: -0.523 local terms energy: -705.339811 where: bonds (distance) C4'-P energy: -140.311 bonds (distance) P-C4' energy: -137.829 flat angles C4'-P-C4' energy: -143.519 flat angles P-C4'-P energy: -120.373 tors. eta vs tors. theta energy: -163.307 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: 8 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1692.992278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.992278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.992278 (E_RNA) where: Base-Base interactions energy: -1086.721 where: short stacking energy: -476.905 Base-Backbone interact. energy: -2.128 local terms energy: -604.143249 where: bonds (distance) C4'-P energy: -153.852 bonds (distance) P-C4' energy: -125.179 flat angles C4'-P-C4' energy: -142.297 flat angles P-C4'-P energy: -88.710 tors. eta vs tors. theta energy: -94.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1439.363789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.363789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.363789 (E_RNA) where: Base-Base interactions energy: -856.518 where: short stacking energy: -431.013 Base-Backbone interact. energy: -3.330 local terms energy: -579.516020 where: bonds (distance) C4'-P energy: -135.546 bonds (distance) P-C4' energy: -150.092 flat angles C4'-P-C4' energy: -124.430 flat angles P-C4'-P energy: -91.995 tors. eta vs tors. theta energy: -77.453 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: 6 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -967.754940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.754940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.754940 (E_RNA) where: Base-Base interactions energy: -471.314 where: short stacking energy: -275.052 Base-Backbone interact. energy: -3.973 local terms energy: -492.467524 where: bonds (distance) C4'-P energy: -145.265 bonds (distance) P-C4' energy: -150.462 flat angles C4'-P-C4' energy: -127.475 flat angles P-C4'-P energy: -44.201 tors. eta vs tors. theta energy: -25.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -710.848778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.848778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.848778 (E_RNA) where: Base-Base interactions energy: -279.968 where: short stacking energy: -191.541 Base-Backbone interact. energy: 1.361 local terms energy: -432.241803 where: bonds (distance) C4'-P energy: -132.989 bonds (distance) P-C4' energy: -134.254 flat angles C4'-P-C4' energy: -100.376 flat angles P-C4'-P energy: -70.940 tors. eta vs tors. theta energy: 6.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2874.825126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.825126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.825126 (E_RNA) where: Base-Base interactions energy: -1971.923 where: short stacking energy: -841.533 Base-Backbone interact. energy: -2.089 local terms energy: -900.812483 where: bonds (distance) C4'-P energy: -170.409 bonds (distance) P-C4' energy: -164.706 flat angles C4'-P-C4' energy: -190.386 flat angles P-C4'-P energy: -128.133 tors. eta vs tors. theta energy: -247.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2774.406800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.406800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.406800 (E_RNA) where: Base-Base interactions energy: -1901.943 where: short stacking energy: -811.051 Base-Backbone interact. energy: -2.495 local terms energy: -869.968656 where: bonds (distance) C4'-P energy: -164.675 bonds (distance) P-C4' energy: -157.709 flat angles C4'-P-C4' energy: -184.892 flat angles P-C4'-P energy: -122.828 tors. eta vs tors. theta energy: -239.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2716.349234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.349234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.349234 (E_RNA) where: Base-Base interactions energy: -1872.756 where: short stacking energy: -797.611 Base-Backbone interact. energy: -5.089 local terms energy: -838.503666 where: bonds (distance) C4'-P energy: -151.895 bonds (distance) P-C4' energy: -157.511 flat angles C4'-P-C4' energy: -189.302 flat angles P-C4'-P energy: -104.190 tors. eta vs tors. theta energy: -235.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2569.585113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.585113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.585113 (E_RNA) where: Base-Base interactions energy: -1763.308 where: short stacking energy: -735.519 Base-Backbone interact. energy: 1.278 local terms energy: -807.555956 where: bonds (distance) C4'-P energy: -163.896 bonds (distance) P-C4' energy: -144.224 flat angles C4'-P-C4' energy: -163.059 flat angles P-C4'-P energy: -117.564 tors. eta vs tors. theta energy: -218.814 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: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2347.789199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.789199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.789199 (E_RNA) where: Base-Base interactions energy: -1590.049 where: short stacking energy: -679.796 Base-Backbone interact. energy: -1.604 local terms energy: -756.136342 where: bonds (distance) C4'-P energy: -139.940 bonds (distance) P-C4' energy: -146.965 flat angles C4'-P-C4' energy: -171.019 flat angles P-C4'-P energy: -99.245 tors. eta vs tors. theta energy: -198.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2145.996558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.996558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.996558 (E_RNA) where: Base-Base interactions energy: -1448.115 where: short stacking energy: -643.755 Base-Backbone interact. energy: -0.259 local terms energy: -697.622974 where: bonds (distance) C4'-P energy: -150.860 bonds (distance) P-C4' energy: -136.196 flat angles C4'-P-C4' energy: -135.299 flat angles P-C4'-P energy: -92.865 tors. eta vs tors. theta energy: -182.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1766.399931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.399931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.399931 (E_RNA) where: Base-Base interactions energy: -1132.426 where: short stacking energy: -504.482 Base-Backbone interact. energy: -0.631 local terms energy: -633.342893 where: bonds (distance) C4'-P energy: -149.036 bonds (distance) P-C4' energy: -126.972 flat angles C4'-P-C4' energy: -157.445 flat angles P-C4'-P energy: -90.983 tors. eta vs tors. theta energy: -108.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1297.649768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.649768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.649768 (E_RNA) where: Base-Base interactions energy: -741.029 where: short stacking energy: -359.922 Base-Backbone interact. energy: -2.324 local terms energy: -554.296715 where: bonds (distance) C4'-P energy: -147.878 bonds (distance) P-C4' energy: -144.768 flat angles C4'-P-C4' energy: -112.790 flat angles P-C4'-P energy: -81.703 tors. eta vs tors. theta energy: -67.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -931.053867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.053867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.053867 (E_RNA) where: Base-Base interactions energy: -463.498 where: short stacking energy: -243.686 Base-Backbone interact. energy: -1.619 local terms energy: -465.937149 where: bonds (distance) C4'-P energy: -133.051 bonds (distance) P-C4' energy: -144.397 flat angles C4'-P-C4' energy: -109.969 flat angles P-C4'-P energy: -72.087 tors. eta vs tors. theta energy: -6.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -690.838286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.838286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.838286 (E_RNA) where: Base-Base interactions energy: -279.038 where: short stacking energy: -194.463 Base-Backbone interact. energy: -2.556 local terms energy: -409.243919 where: bonds (distance) C4'-P energy: -125.963 bonds (distance) P-C4' energy: -141.623 flat angles C4'-P-C4' energy: -107.740 flat angles P-C4'-P energy: -65.904 tors. eta vs tors. theta energy: 31.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2879.993895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.993895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.993895 (E_RNA) where: Base-Base interactions energy: -2006.552 where: short stacking energy: -867.650 Base-Backbone interact. energy: -3.647 local terms energy: -869.794629 where: bonds (distance) C4'-P energy: -156.389 bonds (distance) P-C4' energy: -152.668 flat angles C4'-P-C4' energy: -183.933 flat angles P-C4'-P energy: -130.359 tors. eta vs tors. theta energy: -246.446 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: 2 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2766.456901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.456901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.456901 (E_RNA) where: Base-Base interactions energy: -1894.911 where: short stacking energy: -805.398 Base-Backbone interact. energy: -3.459 local terms energy: -868.087001 where: bonds (distance) C4'-P energy: -164.336 bonds (distance) P-C4' energy: -166.470 flat angles C4'-P-C4' energy: -187.917 flat angles P-C4'-P energy: -115.058 tors. eta vs tors. theta energy: -234.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2698.679008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.679008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.679008 (E_RNA) where: Base-Base interactions energy: -1886.090 where: short stacking energy: -786.248 Base-Backbone interact. energy: -2.683 local terms energy: -809.906455 where: bonds (distance) C4'-P energy: -149.863 bonds (distance) P-C4' energy: -156.560 flat angles C4'-P-C4' energy: -160.536 flat angles P-C4'-P energy: -120.435 tors. eta vs tors. theta energy: -222.512 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: 4, replica: 7 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2633.442186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.442186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.442186 (E_RNA) where: Base-Base interactions energy: -1778.230 where: short stacking energy: -780.689 Base-Backbone interact. energy: -0.741 local terms energy: -854.471971 where: bonds (distance) C4'-P energy: -161.104 bonds (distance) P-C4' energy: -153.904 flat angles C4'-P-C4' energy: -188.315 flat angles P-C4'-P energy: -113.975 tors. eta vs tors. theta energy: -237.174 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: 5, replica: 10 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2358.554320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.554320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.554320 (E_RNA) where: Base-Base interactions energy: -1579.782 where: short stacking energy: -717.538 Base-Backbone interact. energy: -2.735 local terms energy: -776.037841 where: bonds (distance) C4'-P energy: -147.563 bonds (distance) P-C4' energy: -164.550 flat angles C4'-P-C4' energy: -165.754 flat angles P-C4'-P energy: -93.812 tors. eta vs tors. theta energy: -204.358 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: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2109.161931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.161931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.161931 (E_RNA) where: Base-Base interactions energy: -1369.984 where: short stacking energy: -595.436 Base-Backbone interact. energy: -2.771 local terms energy: -736.406439 where: bonds (distance) C4'-P energy: -151.245 bonds (distance) P-C4' energy: -135.970 flat angles C4'-P-C4' energy: -178.028 flat angles P-C4'-P energy: -114.581 tors. eta vs tors. theta energy: -156.582 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: 8 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1780.302304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.302304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.302304 (E_RNA) where: Base-Base interactions energy: -1124.985 where: short stacking energy: -475.258 Base-Backbone interact. energy: 5.749 local terms energy: -661.066457 where: bonds (distance) C4'-P energy: -149.030 bonds (distance) P-C4' energy: -140.312 flat angles C4'-P-C4' energy: -146.283 flat angles P-C4'-P energy: -106.202 tors. eta vs tors. theta energy: -119.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1263.197899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.197899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.197899 (E_RNA) where: Base-Base interactions energy: -716.608 where: short stacking energy: -348.504 Base-Backbone interact. energy: 0.290 local terms energy: -546.879843 where: bonds (distance) C4'-P energy: -134.766 bonds (distance) P-C4' energy: -155.349 flat angles C4'-P-C4' energy: -125.557 flat angles P-C4'-P energy: -68.852 tors. eta vs tors. theta energy: -62.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -926.601408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.601408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.601408 (E_RNA) where: Base-Base interactions energy: -464.750 where: short stacking energy: -278.533 Base-Backbone interact. energy: -0.242 local terms energy: -461.609721 where: bonds (distance) C4'-P energy: -143.489 bonds (distance) P-C4' energy: -126.767 flat angles C4'-P-C4' energy: -117.103 flat angles P-C4'-P energy: -69.146 tors. eta vs tors. theta energy: -5.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -730.507388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.507388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.507388 (E_RNA) where: Base-Base interactions energy: -302.462 where: short stacking energy: -203.803 Base-Backbone interact. energy: -1.264 local terms energy: -426.781127 where: bonds (distance) C4'-P energy: -123.540 bonds (distance) P-C4' energy: -139.210 flat angles C4'-P-C4' energy: -114.975 flat angles P-C4'-P energy: -82.280 tors. eta vs tors. theta energy: 33.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2877.094129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.094129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.094129 (E_RNA) where: Base-Base interactions energy: -1988.522 where: short stacking energy: -849.031 Base-Backbone interact. energy: 1.636 local terms energy: -890.208610 where: bonds (distance) C4'-P energy: -156.639 bonds (distance) P-C4' energy: -169.330 flat angles C4'-P-C4' energy: -182.938 flat angles P-C4'-P energy: -130.243 tors. eta vs tors. theta energy: -251.058 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: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2785.612732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.612732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.612732 (E_RNA) where: Base-Base interactions energy: -1899.722 where: short stacking energy: -811.047 Base-Backbone interact. energy: -2.455 local terms energy: -883.436154 where: bonds (distance) C4'-P energy: -160.042 bonds (distance) P-C4' energy: -150.480 flat angles C4'-P-C4' energy: -190.930 flat angles P-C4'-P energy: -130.273 tors. eta vs tors. theta energy: -251.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2666.516233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.516233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.516233 (E_RNA) where: Base-Base interactions energy: -1858.932 where: short stacking energy: -785.193 Base-Backbone interact. energy: -1.752 local terms energy: -805.832915 where: bonds (distance) C4'-P energy: -153.291 bonds (distance) P-C4' energy: -139.416 flat angles C4'-P-C4' energy: -172.014 flat angles P-C4'-P energy: -115.101 tors. eta vs tors. theta energy: -226.011 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: 7 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2550.729129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.729129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.729129 (E_RNA) where: Base-Base interactions energy: -1738.339 where: short stacking energy: -754.932 Base-Backbone interact. energy: 1.297 local terms energy: -813.687933 where: bonds (distance) C4'-P energy: -154.170 bonds (distance) P-C4' energy: -145.262 flat angles C4'-P-C4' energy: -180.201 flat angles P-C4'-P energy: -114.934 tors. eta vs tors. theta energy: -219.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2339.225481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.225481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.225481 (E_RNA) where: Base-Base interactions energy: -1577.215 where: short stacking energy: -671.585 Base-Backbone interact. energy: -0.749 local terms energy: -761.261701 where: bonds (distance) C4'-P energy: -146.055 bonds (distance) P-C4' energy: -152.714 flat angles C4'-P-C4' energy: -173.641 flat angles P-C4'-P energy: -107.196 tors. eta vs tors. theta energy: -181.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2093.030823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.030823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.030823 (E_RNA) where: Base-Base interactions energy: -1358.081 where: short stacking energy: -606.152 Base-Backbone interact. energy: -3.198 local terms energy: -731.752014 where: bonds (distance) C4'-P energy: -129.104 bonds (distance) P-C4' energy: -174.061 flat angles C4'-P-C4' energy: -166.990 flat angles P-C4'-P energy: -97.407 tors. eta vs tors. theta energy: -164.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1750.005106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.005106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.005106 (E_RNA) where: Base-Base interactions energy: -1095.396 where: short stacking energy: -493.946 Base-Backbone interact. energy: 3.807 local terms energy: -658.416613 where: bonds (distance) C4'-P energy: -131.708 bonds (distance) P-C4' energy: -133.571 flat angles C4'-P-C4' energy: -161.578 flat angles P-C4'-P energy: -113.997 tors. eta vs tors. theta energy: -117.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1204.522222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.522222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.522222 (E_RNA) where: Base-Base interactions energy: -701.403 where: short stacking energy: -343.008 Base-Backbone interact. energy: 1.866 local terms energy: -504.985203 where: bonds (distance) C4'-P energy: -134.794 bonds (distance) P-C4' energy: -116.347 flat angles C4'-P-C4' energy: -141.896 flat angles P-C4'-P energy: -89.322 tors. eta vs tors. theta energy: -22.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -951.302863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.302863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.302863 (E_RNA) where: Base-Base interactions energy: -495.926 where: short stacking energy: -264.351 Base-Backbone interact. energy: 5.698 local terms energy: -461.074857 where: bonds (distance) C4'-P energy: -114.689 bonds (distance) P-C4' energy: -158.830 flat angles C4'-P-C4' energy: -126.667 flat angles P-C4'-P energy: -67.016 tors. eta vs tors. theta energy: 6.126 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: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -738.512438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.512438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.512438 (E_RNA) where: Base-Base interactions energy: -308.197 where: short stacking energy: -217.343 Base-Backbone interact. energy: -1.211 local terms energy: -429.105239 where: bonds (distance) C4'-P energy: -142.571 bonds (distance) P-C4' energy: -145.347 flat angles C4'-P-C4' energy: -86.181 flat angles P-C4'-P energy: -73.265 tors. eta vs tors. theta energy: 18.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2880.205412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.205412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.205412 (E_RNA) where: Base-Base interactions energy: -1981.743 where: short stacking energy: -843.795 Base-Backbone interact. energy: -4.532 local terms energy: -893.930374 where: bonds (distance) C4'-P energy: -169.854 bonds (distance) P-C4' energy: -161.239 flat angles C4'-P-C4' energy: -190.678 flat angles P-C4'-P energy: -122.625 tors. eta vs tors. theta energy: -249.535 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: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2806.961905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.961905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.961905 (E_RNA) where: Base-Base interactions energy: -1922.630 where: short stacking energy: -801.796 Base-Backbone interact. energy: 0.442 local terms energy: -884.774313 where: bonds (distance) C4'-P energy: -165.063 bonds (distance) P-C4' energy: -175.206 flat angles C4'-P-C4' energy: -181.532 flat angles P-C4'-P energy: -119.493 tors. eta vs tors. theta energy: -243.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2671.763761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.763761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.763761 (E_RNA) where: Base-Base interactions energy: -1850.132 where: short stacking energy: -749.356 Base-Backbone interact. energy: -8.757 local terms energy: -812.875251 where: bonds (distance) C4'-P energy: -146.736 bonds (distance) P-C4' energy: -142.448 flat angles C4'-P-C4' energy: -183.704 flat angles P-C4'-P energy: -115.504 tors. eta vs tors. theta energy: -224.483 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: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2574.112502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.112502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.112502 (E_RNA) where: Base-Base interactions energy: -1750.762 where: short stacking energy: -786.957 Base-Backbone interact. energy: -2.424 local terms energy: -820.926492 where: bonds (distance) C4'-P energy: -153.511 bonds (distance) P-C4' energy: -143.328 flat angles C4'-P-C4' energy: -186.863 flat angles P-C4'-P energy: -106.789 tors. eta vs tors. theta energy: -230.436 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: 10 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2353.192105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.192105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.192105 (E_RNA) where: Base-Base interactions energy: -1562.188 where: short stacking energy: -651.950 Base-Backbone interact. energy: -2.454 local terms energy: -788.550762 where: bonds (distance) C4'-P energy: -140.227 bonds (distance) P-C4' energy: -155.440 flat angles C4'-P-C4' energy: -170.129 flat angles P-C4'-P energy: -123.342 tors. eta vs tors. theta energy: -199.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2134.571380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.571380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.571380 (E_RNA) where: Base-Base interactions energy: -1436.521 where: short stacking energy: -646.029 Base-Backbone interact. energy: -1.281 local terms energy: -696.769645 where: bonds (distance) C4'-P energy: -127.440 bonds (distance) P-C4' energy: -125.036 flat angles C4'-P-C4' energy: -169.290 flat angles P-C4'-P energy: -97.082 tors. eta vs tors. theta energy: -177.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1757.524052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.524052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.524052 (E_RNA) where: Base-Base interactions energy: -1102.575 where: short stacking energy: -491.509 Base-Backbone interact. energy: -1.698 local terms energy: -653.250629 where: bonds (distance) C4'-P energy: -157.905 bonds (distance) P-C4' energy: -143.194 flat angles C4'-P-C4' energy: -147.410 flat angles P-C4'-P energy: -94.285 tors. eta vs tors. theta energy: -110.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1250.620138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.620138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.620138 (E_RNA) where: Base-Base interactions energy: -716.809 where: short stacking energy: -365.829 Base-Backbone interact. energy: -0.771 local terms energy: -533.040328 where: bonds (distance) C4'-P energy: -149.629 bonds (distance) P-C4' energy: -133.880 flat angles C4'-P-C4' energy: -130.628 flat angles P-C4'-P energy: -86.041 tors. eta vs tors. theta energy: -32.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -933.205723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.205723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.205723 (E_RNA) where: Base-Base interactions energy: -493.891 where: short stacking energy: -285.525 Base-Backbone interact. energy: 1.890 local terms energy: -441.204927 where: bonds (distance) C4'-P energy: -122.075 bonds (distance) P-C4' energy: -122.313 flat angles C4'-P-C4' energy: -112.642 flat angles P-C4'-P energy: -67.092 tors. eta vs tors. theta energy: -17.082 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: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -713.992023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.992023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.992023 (E_RNA) where: Base-Base interactions energy: -295.115 where: short stacking energy: -180.505 Base-Backbone interact. energy: -1.156 local terms energy: -417.721830 where: bonds (distance) C4'-P energy: -119.221 bonds (distance) P-C4' energy: -149.493 flat angles C4'-P-C4' energy: -126.525 flat angles P-C4'-P energy: -64.907 tors. eta vs tors. theta energy: 42.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2866.671104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.671104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.671104 (E_RNA) where: Base-Base interactions energy: -1945.099 where: short stacking energy: -845.194 Base-Backbone interact. energy: -3.622 local terms energy: -917.949928 where: bonds (distance) C4'-P energy: -158.326 bonds (distance) P-C4' energy: -175.513 flat angles C4'-P-C4' energy: -194.691 flat angles P-C4'-P energy: -128.743 tors. eta vs tors. theta energy: -260.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2789.923940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.923940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.923940 (E_RNA) where: Base-Base interactions energy: -1946.180 where: short stacking energy: -823.479 Base-Backbone interact. energy: -0.793 local terms energy: -842.951483 where: bonds (distance) C4'-P energy: -153.505 bonds (distance) P-C4' energy: -152.435 flat angles C4'-P-C4' energy: -185.438 flat angles P-C4'-P energy: -110.736 tors. eta vs tors. theta energy: -240.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2661.604461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.604461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.604461 (E_RNA) where: Base-Base interactions energy: -1823.978 where: short stacking energy: -753.435 Base-Backbone interact. energy: -4.258 local terms energy: -833.368262 where: bonds (distance) C4'-P energy: -153.331 bonds (distance) P-C4' energy: -153.602 flat angles C4'-P-C4' energy: -186.283 flat angles P-C4'-P energy: -108.481 tors. eta vs tors. theta energy: -231.672 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: 412 Temperature: 1.050000 Total energy: -2591.957874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.957874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.957874 (E_RNA) where: Base-Base interactions energy: -1753.614 where: short stacking energy: -791.482 Base-Backbone interact. energy: 4.056 local terms energy: -842.400330 where: bonds (distance) C4'-P energy: -151.870 bonds (distance) P-C4' energy: -148.594 flat angles C4'-P-C4' energy: -186.994 flat angles P-C4'-P energy: -115.066 tors. eta vs tors. theta energy: -239.877 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: 5, replica: 10 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2332.134033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.134033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.134033 (E_RNA) where: Base-Base interactions energy: -1596.127 where: short stacking energy: -675.590 Base-Backbone interact. energy: -5.118 local terms energy: -730.888709 where: bonds (distance) C4'-P energy: -128.793 bonds (distance) P-C4' energy: -136.125 flat angles C4'-P-C4' energy: -175.568 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -192.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2063.939169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.939169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.939169 (E_RNA) where: Base-Base interactions energy: -1368.635 where: short stacking energy: -603.579 Base-Backbone interact. energy: -0.024 local terms energy: -695.280533 where: bonds (distance) C4'-P energy: -135.486 bonds (distance) P-C4' energy: -149.726 flat angles C4'-P-C4' energy: -165.292 flat angles P-C4'-P energy: -105.680 tors. eta vs tors. theta energy: -139.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1737.140083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.140083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.140083 (E_RNA) where: Base-Base interactions energy: -1104.529 where: short stacking energy: -504.168 Base-Backbone interact. energy: -0.556 local terms energy: -632.054913 where: bonds (distance) C4'-P energy: -114.318 bonds (distance) P-C4' energy: -144.420 flat angles C4'-P-C4' energy: -159.444 flat angles P-C4'-P energy: -99.025 tors. eta vs tors. theta energy: -114.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1228.378372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.378372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.378372 (E_RNA) where: Base-Base interactions energy: -731.269 where: short stacking energy: -339.504 Base-Backbone interact. energy: 7.029 local terms energy: -504.138859 where: bonds (distance) C4'-P energy: -109.294 bonds (distance) P-C4' energy: -142.270 flat angles C4'-P-C4' energy: -129.860 flat angles P-C4'-P energy: -81.077 tors. eta vs tors. theta energy: -41.638 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: 6 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -971.953431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.953431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.953431 (E_RNA) where: Base-Base interactions energy: -537.183 where: short stacking energy: -267.289 Base-Backbone interact. energy: -1.972 local terms energy: -432.797909 where: bonds (distance) C4'-P energy: -136.858 bonds (distance) P-C4' energy: -122.868 flat angles C4'-P-C4' energy: -105.237 flat angles P-C4'-P energy: -60.451 tors. eta vs tors. theta energy: -7.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -704.392662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.392662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.392662 (E_RNA) where: Base-Base interactions energy: -303.907 where: short stacking energy: -187.064 Base-Backbone interact. energy: 2.732 local terms energy: -403.217525 where: bonds (distance) C4'-P energy: -115.184 bonds (distance) P-C4' energy: -147.359 flat angles C4'-P-C4' energy: -98.480 flat angles P-C4'-P energy: -62.862 tors. eta vs tors. theta energy: 20.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2910.432608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.432608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.432608 (E_RNA) where: Base-Base interactions energy: -1985.237 where: short stacking energy: -854.980 Base-Backbone interact. energy: -0.019 local terms energy: -925.176159 where: bonds (distance) C4'-P energy: -163.551 bonds (distance) P-C4' energy: -160.017 flat angles C4'-P-C4' energy: -196.316 flat angles P-C4'-P energy: -152.697 tors. eta vs tors. theta energy: -252.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2808.167388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.167388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.167388 (E_RNA) where: Base-Base interactions energy: -1943.797 where: short stacking energy: -809.698 Base-Backbone interact. energy: 0.061 local terms energy: -864.430640 where: bonds (distance) C4'-P energy: -167.560 bonds (distance) P-C4' energy: -156.949 flat angles C4'-P-C4' energy: -183.659 flat angles P-C4'-P energy: -113.669 tors. eta vs tors. theta energy: -242.594 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: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2693.138167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.138167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.138167 (E_RNA) where: Base-Base interactions energy: -1906.476 where: short stacking energy: -776.383 Base-Backbone interact. energy: -1.760 local terms energy: -784.901782 where: bonds (distance) C4'-P energy: -136.963 bonds (distance) P-C4' energy: -148.286 flat angles C4'-P-C4' energy: -161.945 flat angles P-C4'-P energy: -113.962 tors. eta vs tors. theta energy: -223.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2577.200144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.200144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.200144 (E_RNA) where: Base-Base interactions energy: -1775.182 where: short stacking energy: -779.162 Base-Backbone interact. energy: -3.296 local terms energy: -798.722072 where: bonds (distance) C4'-P energy: -143.896 bonds (distance) P-C4' energy: -150.890 flat angles C4'-P-C4' energy: -164.533 flat angles P-C4'-P energy: -123.108 tors. eta vs tors. theta energy: -216.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2304.941222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.941222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.941222 (E_RNA) where: Base-Base interactions energy: -1520.294 where: short stacking energy: -676.816 Base-Backbone interact. energy: -0.854 local terms energy: -783.793463 where: bonds (distance) C4'-P energy: -156.251 bonds (distance) P-C4' energy: -156.982 flat angles C4'-P-C4' energy: -169.712 flat angles P-C4'-P energy: -109.827 tors. eta vs tors. theta energy: -191.021 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: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2082.856462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.856462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.856462 (E_RNA) where: Base-Base interactions energy: -1371.351 where: short stacking energy: -600.025 Base-Backbone interact. energy: 2.801 local terms energy: -714.306900 where: bonds (distance) C4'-P energy: -136.938 bonds (distance) P-C4' energy: -152.546 flat angles C4'-P-C4' energy: -158.259 flat angles P-C4'-P energy: -100.489 tors. eta vs tors. theta energy: -166.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1759.687231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.687231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.687231 (E_RNA) where: Base-Base interactions energy: -1116.136 where: short stacking energy: -470.674 Base-Backbone interact. energy: 3.170 local terms energy: -646.721073 where: bonds (distance) C4'-P energy: -156.019 bonds (distance) P-C4' energy: -144.783 flat angles C4'-P-C4' energy: -157.376 flat angles P-C4'-P energy: -90.623 tors. eta vs tors. theta energy: -97.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1440.138223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.138223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.138223 (E_RNA) where: Base-Base interactions energy: -896.819 where: short stacking energy: -445.829 Base-Backbone interact. energy: 5.989 local terms energy: -549.307978 where: bonds (distance) C4'-P energy: -143.976 bonds (distance) P-C4' energy: -143.391 flat angles C4'-P-C4' energy: -126.577 flat angles P-C4'-P energy: -72.310 tors. eta vs tors. theta energy: -63.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -951.913411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.913411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.913411 (E_RNA) where: Base-Base interactions energy: -495.438 where: short stacking energy: -271.813 Base-Backbone interact. energy: 1.806 local terms energy: -458.281419 where: bonds (distance) C4'-P energy: -130.963 bonds (distance) P-C4' energy: -136.710 flat angles C4'-P-C4' energy: -116.727 flat angles P-C4'-P energy: -76.020 tors. eta vs tors. theta energy: 2.138 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: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -739.940463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.940463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.940463 (E_RNA) where: Base-Base interactions energy: -358.316 where: short stacking energy: -191.343 Base-Backbone interact. energy: 9.342 local terms energy: -390.966053 where: bonds (distance) C4'-P energy: -131.740 bonds (distance) P-C4' energy: -145.390 flat angles C4'-P-C4' energy: -94.545 flat angles P-C4'-P energy: -41.006 tors. eta vs tors. theta energy: 21.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2898.122387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.122387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.122387 (E_RNA) where: Base-Base interactions energy: -1977.757 where: short stacking energy: -852.859 Base-Backbone interact. energy: -3.032 local terms energy: -917.332929 where: bonds (distance) C4'-P energy: -165.944 bonds (distance) P-C4' energy: -169.343 flat angles C4'-P-C4' energy: -189.732 flat angles P-C4'-P energy: -131.485 tors. eta vs tors. theta energy: -260.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2791.903617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.903617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.903617 (E_RNA) where: Base-Base interactions energy: -1917.568 where: short stacking energy: -819.105 Base-Backbone interact. energy: -3.584 local terms energy: -870.752281 where: bonds (distance) C4'-P energy: -162.024 bonds (distance) P-C4' energy: -145.901 flat angles C4'-P-C4' energy: -181.620 flat angles P-C4'-P energy: -122.273 tors. eta vs tors. theta energy: -258.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2651.029674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.029674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.029674 (E_RNA) where: Base-Base interactions energy: -1816.951 where: short stacking energy: -773.519 Base-Backbone interact. energy: -7.924 local terms energy: -826.154019 where: bonds (distance) C4'-P energy: -166.446 bonds (distance) P-C4' energy: -136.646 flat angles C4'-P-C4' energy: -187.629 flat angles P-C4'-P energy: -115.247 tors. eta vs tors. theta energy: -220.185 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: 7 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2577.320711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.320711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.320711 (E_RNA) where: Base-Base interactions energy: -1762.238 where: short stacking energy: -768.266 Base-Backbone interact. energy: 0.880 local terms energy: -815.962791 where: bonds (distance) C4'-P energy: -166.955 bonds (distance) P-C4' energy: -127.058 flat angles C4'-P-C4' energy: -183.619 flat angles P-C4'-P energy: -113.542 tors. eta vs tors. theta energy: -224.790 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: 10 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2335.969967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.969967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.969967 (E_RNA) where: Base-Base interactions energy: -1557.702 where: short stacking energy: -679.178 Base-Backbone interact. energy: -3.157 local terms energy: -775.111312 where: bonds (distance) C4'-P energy: -147.164 bonds (distance) P-C4' energy: -148.450 flat angles C4'-P-C4' energy: -167.785 flat angles P-C4'-P energy: -114.250 tors. eta vs tors. theta energy: -197.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2142.521592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.521592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.521592 (E_RNA) where: Base-Base interactions energy: -1423.979 where: short stacking energy: -609.373 Base-Backbone interact. energy: 0.143 local terms energy: -718.684838 where: bonds (distance) C4'-P energy: -158.284 bonds (distance) P-C4' energy: -135.697 flat angles C4'-P-C4' energy: -160.385 flat angles P-C4'-P energy: -93.434 tors. eta vs tors. theta energy: -170.885 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: 7, replica: 8 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1749.146581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.146581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.146581 (E_RNA) where: Base-Base interactions energy: -1153.663 where: short stacking energy: -454.064 Base-Backbone interact. energy: 3.343 local terms energy: -598.826934 where: bonds (distance) C4'-P energy: -138.104 bonds (distance) P-C4' energy: -147.997 flat angles C4'-P-C4' energy: -125.368 flat angles P-C4'-P energy: -80.960 tors. eta vs tors. theta energy: -106.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1434.840976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.840976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.840976 (E_RNA) where: Base-Base interactions energy: -889.504 where: short stacking energy: -399.421 Base-Backbone interact. energy: 1.171 local terms energy: -546.508439 where: bonds (distance) C4'-P energy: -127.441 bonds (distance) P-C4' energy: -146.853 flat angles C4'-P-C4' energy: -128.370 flat angles P-C4'-P energy: -93.115 tors. eta vs tors. theta energy: -50.729 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: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -921.554522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.554522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.554522 (E_RNA) where: Base-Base interactions energy: -449.490 where: short stacking energy: -242.339 Base-Backbone interact. energy: -0.169 local terms energy: -471.895730 where: bonds (distance) C4'-P energy: -121.385 bonds (distance) P-C4' energy: -142.159 flat angles C4'-P-C4' energy: -133.166 flat angles P-C4'-P energy: -80.323 tors. eta vs tors. theta energy: 5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -695.945612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.945612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.945612 (E_RNA) where: Base-Base interactions energy: -292.215 where: short stacking energy: -190.670 Base-Backbone interact. energy: -1.154 local terms energy: -402.576170 where: bonds (distance) C4'-P energy: -123.137 bonds (distance) P-C4' energy: -138.003 flat angles C4'-P-C4' energy: -128.379 flat angles P-C4'-P energy: -57.399 tors. eta vs tors. theta energy: 44.342 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: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2922.323277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.323277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.323277 (E_RNA) where: Base-Base interactions energy: -2015.975 where: short stacking energy: -874.061 Base-Backbone interact. energy: -2.873 local terms energy: -903.475778 where: bonds (distance) C4'-P energy: -166.896 bonds (distance) P-C4' energy: -157.827 flat angles C4'-P-C4' energy: -183.337 flat angles P-C4'-P energy: -128.719 tors. eta vs tors. theta energy: -266.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2802.386941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.386941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.386941 (E_RNA) where: Base-Base interactions energy: -1960.048 where: short stacking energy: -810.185 Base-Backbone interact. energy: -2.415 local terms energy: -839.924270 where: bonds (distance) C4'-P energy: -151.619 bonds (distance) P-C4' energy: -156.995 flat angles C4'-P-C4' energy: -181.775 flat angles P-C4'-P energy: -112.787 tors. eta vs tors. theta energy: -236.748 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: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2674.053322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.053322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.053322 (E_RNA) where: Base-Base interactions energy: -1810.436 where: short stacking energy: -753.323 Base-Backbone interact. energy: -8.271 local terms energy: -855.346080 where: bonds (distance) C4'-P energy: -157.346 bonds (distance) P-C4' energy: -178.745 flat angles C4'-P-C4' energy: -180.069 flat angles P-C4'-P energy: -114.380 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: 7 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2517.349563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.349563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.349563 (E_RNA) where: Base-Base interactions energy: -1711.934 where: short stacking energy: -711.079 Base-Backbone interact. energy: -2.967 local terms energy: -802.448888 where: bonds (distance) C4'-P energy: -154.978 bonds (distance) P-C4' energy: -160.077 flat angles C4'-P-C4' energy: -179.596 flat angles P-C4'-P energy: -110.094 tors. eta vs tors. theta energy: -197.705 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: 5, replica: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2322.893444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.893444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.893444 (E_RNA) where: Base-Base interactions energy: -1545.158 where: short stacking energy: -658.456 Base-Backbone interact. energy: 0.157 local terms energy: -777.891666 where: bonds (distance) C4'-P energy: -148.217 bonds (distance) P-C4' energy: -143.974 flat angles C4'-P-C4' energy: -181.888 flat angles P-C4'-P energy: -113.803 tors. eta vs tors. theta energy: -190.010 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: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2196.456107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.456107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.456107 (E_RNA) where: Base-Base interactions energy: -1504.029 where: short stacking energy: -634.999 Base-Backbone interact. energy: -3.825 local terms energy: -688.601644 where: bonds (distance) C4'-P energy: -137.943 bonds (distance) P-C4' energy: -144.017 flat angles C4'-P-C4' energy: -154.485 flat angles P-C4'-P energy: -88.368 tors. eta vs tors. theta energy: -163.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1777.372599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.372599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.372599 (E_RNA) where: Base-Base interactions energy: -1170.363 where: short stacking energy: -524.065 Base-Backbone interact. energy: -3.534 local terms energy: -603.475789 where: bonds (distance) C4'-P energy: -130.175 bonds (distance) P-C4' energy: -116.701 flat angles C4'-P-C4' energy: -159.923 flat angles P-C4'-P energy: -79.919 tors. eta vs tors. theta energy: -116.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1455.727782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.727782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.727782 (E_RNA) where: Base-Base interactions energy: -893.048 where: short stacking energy: -382.201 Base-Backbone interact. energy: 1.733 local terms energy: -564.412960 where: bonds (distance) C4'-P energy: -150.982 bonds (distance) P-C4' energy: -143.047 flat angles C4'-P-C4' energy: -133.435 flat angles P-C4'-P energy: -80.724 tors. eta vs tors. theta energy: -56.225 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: 6 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -841.409404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.409404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.409404 (E_RNA) where: Base-Base interactions energy: -382.702 where: short stacking energy: -186.573 Base-Backbone interact. energy: 0.030 local terms energy: -458.737395 where: bonds (distance) C4'-P energy: -145.999 bonds (distance) P-C4' energy: -126.501 flat angles C4'-P-C4' energy: -117.364 flat angles P-C4'-P energy: -79.644 tors. eta vs tors. theta energy: 10.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -746.802483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.802483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.802483 (E_RNA) where: Base-Base interactions energy: -330.086 where: short stacking energy: -232.844 Base-Backbone interact. energy: 6.087 local terms energy: -422.803747 where: bonds (distance) C4'-P energy: -104.430 bonds (distance) P-C4' energy: -157.207 flat angles C4'-P-C4' energy: -108.498 flat angles P-C4'-P energy: -65.132 tors. eta vs tors. theta energy: 12.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2902.679805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.679805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.679805 (E_RNA) where: Base-Base interactions energy: -1985.400 where: short stacking energy: -893.058 Base-Backbone interact. energy: -2.830 local terms energy: -914.449852 where: bonds (distance) C4'-P energy: -165.008 bonds (distance) P-C4' energy: -173.340 flat angles C4'-P-C4' energy: -194.863 flat angles P-C4'-P energy: -124.983 tors. eta vs tors. theta energy: -256.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2827.369049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.369049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.369049 (E_RNA) where: Base-Base interactions energy: -1947.601 where: short stacking energy: -820.376 Base-Backbone interact. energy: -1.645 local terms energy: -878.123344 where: bonds (distance) C4'-P energy: -169.629 bonds (distance) P-C4' energy: -149.242 flat angles C4'-P-C4' energy: -195.985 flat angles P-C4'-P energy: -115.108 tors. eta vs tors. theta energy: -248.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2670.535568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.535568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.535568 (E_RNA) where: Base-Base interactions energy: -1815.416 where: short stacking energy: -766.515 Base-Backbone interact. energy: -1.642 local terms energy: -853.477437 where: bonds (distance) C4'-P energy: -161.285 bonds (distance) P-C4' energy: -155.181 flat angles C4'-P-C4' energy: -188.056 flat angles P-C4'-P energy: -127.073 tors. eta vs tors. theta energy: -221.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2560.114400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.114400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.114400 (E_RNA) where: Base-Base interactions energy: -1773.487 where: short stacking energy: -766.342 Base-Backbone interact. energy: -3.896 local terms energy: -782.731837 where: bonds (distance) C4'-P energy: -140.772 bonds (distance) P-C4' energy: -150.708 flat angles C4'-P-C4' energy: -170.034 flat angles P-C4'-P energy: -116.080 tors. eta vs tors. theta energy: -205.138 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: 10 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2313.599792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.599792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.599792 (E_RNA) where: Base-Base interactions energy: -1550.172 where: short stacking energy: -676.326 Base-Backbone interact. energy: -0.582 local terms energy: -762.845228 where: bonds (distance) C4'-P energy: -139.063 bonds (distance) P-C4' energy: -156.819 flat angles C4'-P-C4' energy: -161.169 flat angles P-C4'-P energy: -113.831 tors. eta vs tors. theta energy: -191.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2146.427584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.427584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.427584 (E_RNA) where: Base-Base interactions energy: -1458.198 where: short stacking energy: -625.728 Base-Backbone interact. energy: -2.242 local terms energy: -685.987177 where: bonds (distance) C4'-P energy: -134.030 bonds (distance) P-C4' energy: -149.679 flat angles C4'-P-C4' energy: -155.357 flat angles P-C4'-P energy: -92.861 tors. eta vs tors. theta energy: -154.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1766.297049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.297049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.297049 (E_RNA) where: Base-Base interactions energy: -1132.661 where: short stacking energy: -508.879 Base-Backbone interact. energy: 4.736 local terms energy: -638.371652 where: bonds (distance) C4'-P energy: -131.505 bonds (distance) P-C4' energy: -139.155 flat angles C4'-P-C4' energy: -146.425 flat angles P-C4'-P energy: -93.641 tors. eta vs tors. theta energy: -127.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1409.512833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.512833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.512833 (E_RNA) where: Base-Base interactions energy: -860.162 where: short stacking energy: -405.237 Base-Backbone interact. energy: -2.312 local terms energy: -547.038795 where: bonds (distance) C4'-P energy: -124.237 bonds (distance) P-C4' energy: -152.868 flat angles C4'-P-C4' energy: -132.977 flat angles P-C4'-P energy: -84.661 tors. eta vs tors. theta energy: -52.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -833.118228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.118228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.118228 (E_RNA) where: Base-Base interactions energy: -388.310 where: short stacking energy: -258.475 Base-Backbone interact. energy: -0.315 local terms energy: -444.493238 where: bonds (distance) C4'-P energy: -126.433 bonds (distance) P-C4' energy: -141.579 flat angles C4'-P-C4' energy: -112.475 flat angles P-C4'-P energy: -67.155 tors. eta vs tors. theta energy: 3.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -738.607176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.607176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.607176 (E_RNA) where: Base-Base interactions energy: -334.896 where: short stacking energy: -192.160 Base-Backbone interact. energy: 9.040 local terms energy: -412.751654 where: bonds (distance) C4'-P energy: -132.767 bonds (distance) P-C4' energy: -124.642 flat angles C4'-P-C4' energy: -116.538 flat angles P-C4'-P energy: -60.782 tors. eta vs tors. theta energy: 21.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2896.931013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.931013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.931013 (E_RNA) where: Base-Base interactions energy: -1990.451 where: short stacking energy: -818.188 Base-Backbone interact. energy: -1.764 local terms energy: -904.715411 where: bonds (distance) C4'-P energy: -148.175 bonds (distance) P-C4' energy: -164.348 flat angles C4'-P-C4' energy: -200.331 flat angles P-C4'-P energy: -135.555 tors. eta vs tors. theta energy: -256.307 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: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2802.692043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.692043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.692043 (E_RNA) where: Base-Base interactions energy: -1920.762 where: short stacking energy: -809.532 Base-Backbone interact. energy: -4.719 local terms energy: -877.211295 where: bonds (distance) C4'-P energy: -150.733 bonds (distance) P-C4' energy: -161.256 flat angles C4'-P-C4' energy: -187.922 flat angles P-C4'-P energy: -133.773 tors. eta vs tors. theta energy: -243.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2675.602040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.602040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.602040 (E_RNA) where: Base-Base interactions energy: -1805.534 where: short stacking energy: -765.931 Base-Backbone interact. energy: -4.131 local terms energy: -865.936446 where: bonds (distance) C4'-P energy: -176.347 bonds (distance) P-C4' energy: -159.348 flat angles C4'-P-C4' energy: -178.386 flat angles P-C4'-P energy: -117.678 tors. eta vs tors. theta energy: -234.177 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: 10 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2448.956544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.956544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.956544 (E_RNA) where: Base-Base interactions energy: -1634.117 where: short stacking energy: -702.091 Base-Backbone interact. energy: -1.277 local terms energy: -813.561867 where: bonds (distance) C4'-P energy: -161.664 bonds (distance) P-C4' energy: -139.899 flat angles C4'-P-C4' energy: -175.099 flat angles P-C4'-P energy: -126.375 tors. eta vs tors. theta energy: -210.524 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: 7 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2515.334624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.334624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.334624 (E_RNA) where: Base-Base interactions energy: -1719.940 where: short stacking energy: -709.351 Base-Backbone interact. energy: -0.585 local terms energy: -794.809102 where: bonds (distance) C4'-P energy: -148.062 bonds (distance) P-C4' energy: -157.537 flat angles C4'-P-C4' energy: -170.534 flat angles P-C4'-P energy: -119.068 tors. eta vs tors. theta energy: -199.609 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: 5 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2067.541997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.541997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.541997 (E_RNA) where: Base-Base interactions energy: -1387.499 where: short stacking energy: -599.413 Base-Backbone interact. energy: 2.421 local terms energy: -682.463661 where: bonds (distance) C4'-P energy: -131.214 bonds (distance) P-C4' energy: -159.592 flat angles C4'-P-C4' energy: -155.246 flat angles P-C4'-P energy: -84.948 tors. eta vs tors. theta energy: -151.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1785.034691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.034691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.034691 (E_RNA) where: Base-Base interactions energy: -1171.405 where: short stacking energy: -519.659 Base-Backbone interact. energy: 7.438 local terms energy: -621.067601 where: bonds (distance) C4'-P energy: -120.332 bonds (distance) P-C4' energy: -135.593 flat angles C4'-P-C4' energy: -155.355 flat angles P-C4'-P energy: -86.632 tors. eta vs tors. theta energy: -123.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1385.908366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.908366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.908366 (E_RNA) where: Base-Base interactions energy: -880.374 where: short stacking energy: -424.118 Base-Backbone interact. energy: -1.075 local terms energy: -504.459126 where: bonds (distance) C4'-P energy: -122.186 bonds (distance) P-C4' energy: -142.020 flat angles C4'-P-C4' energy: -123.068 flat angles P-C4'-P energy: -59.357 tors. eta vs tors. theta energy: -57.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -804.519331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.519331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.519331 (E_RNA) where: Base-Base interactions energy: -348.581 where: short stacking energy: -251.640 Base-Backbone interact. energy: 3.880 local terms energy: -459.818076 where: bonds (distance) C4'-P energy: -124.820 bonds (distance) P-C4' energy: -146.649 flat angles C4'-P-C4' energy: -121.663 flat angles P-C4'-P energy: -59.835 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: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -700.556959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.556959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.556959 (E_RNA) where: Base-Base interactions energy: -272.746 where: short stacking energy: -171.637 Base-Backbone interact. energy: 0.827 local terms energy: -428.638889 where: bonds (distance) C4'-P energy: -124.985 bonds (distance) P-C4' energy: -121.059 flat angles C4'-P-C4' energy: -138.852 flat angles P-C4'-P energy: -76.048 tors. eta vs tors. theta energy: 32.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2828.641305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.641305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.641305 (E_RNA) where: Base-Base interactions energy: -1948.170 where: short stacking energy: -835.823 Base-Backbone interact. energy: -1.389 local terms energy: -879.082082 where: bonds (distance) C4'-P energy: -171.911 bonds (distance) P-C4' energy: -151.841 flat angles C4'-P-C4' energy: -194.123 flat angles P-C4'-P energy: -120.348 tors. eta vs tors. theta energy: -240.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2819.288230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.288230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.288230 (E_RNA) where: Base-Base interactions energy: -1938.020 where: short stacking energy: -822.377 Base-Backbone interact. energy: -5.695 local terms energy: -875.573491 where: bonds (distance) C4'-P energy: -148.397 bonds (distance) P-C4' energy: -164.401 flat angles C4'-P-C4' energy: -188.105 flat angles P-C4'-P energy: -125.506 tors. eta vs tors. theta energy: -249.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2692.602094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.602094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.602094 (E_RNA) where: Base-Base interactions energy: -1870.360 where: short stacking energy: -769.060 Base-Backbone interact. energy: -4.961 local terms energy: -817.280946 where: bonds (distance) C4'-P energy: -154.959 bonds (distance) P-C4' energy: -155.456 flat angles C4'-P-C4' energy: -171.381 flat angles P-C4'-P energy: -120.221 tors. eta vs tors. theta energy: -215.263 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: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2488.660534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.660534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.660534 (E_RNA) where: Base-Base interactions energy: -1682.646 where: short stacking energy: -727.588 Base-Backbone interact. energy: -4.129 local terms energy: -801.885848 where: bonds (distance) C4'-P energy: -153.285 bonds (distance) P-C4' energy: -168.179 flat angles C4'-P-C4' energy: -176.428 flat angles P-C4'-P energy: -88.589 tors. eta vs tors. theta energy: -215.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2486.422508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.422508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.422508 (E_RNA) where: Base-Base interactions energy: -1730.695 where: short stacking energy: -740.593 Base-Backbone interact. energy: 1.003 local terms energy: -756.731016 where: bonds (distance) C4'-P energy: -145.913 bonds (distance) P-C4' energy: -145.961 flat angles C4'-P-C4' energy: -171.915 flat angles P-C4'-P energy: -81.537 tors. eta vs tors. theta energy: -211.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2115.775167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.775167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.775167 (E_RNA) where: Base-Base interactions energy: -1385.822 where: short stacking energy: -637.359 Base-Backbone interact. energy: 0.134 local terms energy: -730.087310 where: bonds (distance) C4'-P energy: -152.635 bonds (distance) P-C4' energy: -128.915 flat angles C4'-P-C4' energy: -159.564 flat angles P-C4'-P energy: -111.417 tors. eta vs tors. theta energy: -177.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1804.211558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.211558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.211558 (E_RNA) where: Base-Base interactions energy: -1160.109 where: short stacking energy: -526.156 Base-Backbone interact. energy: 2.655 local terms energy: -646.757642 where: bonds (distance) C4'-P energy: -137.593 bonds (distance) P-C4' energy: -147.464 flat angles C4'-P-C4' energy: -140.341 flat angles P-C4'-P energy: -99.285 tors. eta vs tors. theta energy: -122.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1395.125650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.125650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.125650 (E_RNA) where: Base-Base interactions energy: -842.183 where: short stacking energy: -388.741 Base-Backbone interact. energy: 1.239 local terms energy: -554.181963 where: bonds (distance) C4'-P energy: -124.356 bonds (distance) P-C4' energy: -136.399 flat angles C4'-P-C4' energy: -139.616 flat angles P-C4'-P energy: -91.490 tors. eta vs tors. theta energy: -62.321 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: 6 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -826.477469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.477469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.477469 (E_RNA) where: Base-Base interactions energy: -344.076 where: short stacking energy: -210.135 Base-Backbone interact. energy: 1.397 local terms energy: -483.797923 where: bonds (distance) C4'-P energy: -129.141 bonds (distance) P-C4' energy: -155.789 flat angles C4'-P-C4' energy: -106.194 flat angles P-C4'-P energy: -93.692 tors. eta vs tors. theta energy: 1.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -724.986960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.986960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.986960 (E_RNA) where: Base-Base interactions energy: -329.740 where: short stacking energy: -202.582 Base-Backbone interact. energy: 1.126 local terms energy: -396.372717 where: bonds (distance) C4'-P energy: -123.019 bonds (distance) P-C4' energy: -141.098 flat angles C4'-P-C4' energy: -92.103 flat angles P-C4'-P energy: -64.720 tors. eta vs tors. theta energy: 24.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2843.227994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.227994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.227994 (E_RNA) where: Base-Base interactions energy: -1939.141 where: short stacking energy: -842.072 Base-Backbone interact. energy: -4.082 local terms energy: -900.005260 where: bonds (distance) C4'-P energy: -166.897 bonds (distance) P-C4' energy: -161.585 flat angles C4'-P-C4' energy: -185.774 flat angles P-C4'-P energy: -135.944 tors. eta vs tors. theta energy: -249.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2834.510148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.510148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.510148 (E_RNA) where: Base-Base interactions energy: -1970.969 where: short stacking energy: -837.710 Base-Backbone interact. energy: -2.005 local terms energy: -861.536121 where: bonds (distance) C4'-P energy: -151.371 bonds (distance) P-C4' energy: -146.948 flat angles C4'-P-C4' energy: -198.426 flat angles P-C4'-P energy: -109.578 tors. eta vs tors. theta energy: -255.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2733.559310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.559310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.559310 (E_RNA) where: Base-Base interactions energy: -1885.734 where: short stacking energy: -806.275 Base-Backbone interact. energy: -0.251 local terms energy: -847.574323 where: bonds (distance) C4'-P energy: -146.772 bonds (distance) P-C4' energy: -169.068 flat angles C4'-P-C4' energy: -178.828 flat angles P-C4'-P energy: -122.559 tors. eta vs tors. theta energy: -230.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2536.122903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.122903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.122903 (E_RNA) where: Base-Base interactions energy: -1715.687 where: short stacking energy: -722.409 Base-Backbone interact. energy: -1.348 local terms energy: -819.087382 where: bonds (distance) C4'-P energy: -145.257 bonds (distance) P-C4' energy: -166.464 flat angles C4'-P-C4' energy: -179.188 flat angles P-C4'-P energy: -116.249 tors. eta vs tors. theta energy: -211.929 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: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2430.036898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.036898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.036898 (E_RNA) where: Base-Base interactions energy: -1627.273 where: short stacking energy: -702.741 Base-Backbone interact. energy: -1.329 local terms energy: -801.435110 where: bonds (distance) C4'-P energy: -141.079 bonds (distance) P-C4' energy: -158.725 flat angles C4'-P-C4' energy: -171.439 flat angles P-C4'-P energy: -121.173 tors. eta vs tors. theta energy: -209.019 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: 6, replica: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2130.692742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.692742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.692742 (E_RNA) where: Base-Base interactions energy: -1424.233 where: short stacking energy: -624.657 Base-Backbone interact. energy: -0.822 local terms energy: -705.637632 where: bonds (distance) C4'-P energy: -126.465 bonds (distance) P-C4' energy: -133.995 flat angles C4'-P-C4' energy: -161.770 flat angles P-C4'-P energy: -111.063 tors. eta vs tors. theta energy: -172.345 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: 8 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1840.096308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.096308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.096308 (E_RNA) where: Base-Base interactions energy: -1174.133 where: short stacking energy: -524.867 Base-Backbone interact. energy: 1.240 local terms energy: -667.202931 where: bonds (distance) C4'-P energy: -136.218 bonds (distance) P-C4' energy: -142.225 flat angles C4'-P-C4' energy: -154.951 flat angles P-C4'-P energy: -111.150 tors. eta vs tors. theta energy: -122.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1324.911227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.911227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.911227 (E_RNA) where: Base-Base interactions energy: -784.101 where: short stacking energy: -394.408 Base-Backbone interact. energy: -2.174 local terms energy: -538.636390 where: bonds (distance) C4'-P energy: -130.263 bonds (distance) P-C4' energy: -136.650 flat angles C4'-P-C4' energy: -140.817 flat angles P-C4'-P energy: -78.681 tors. eta vs tors. theta energy: -52.225 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: 6 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -777.131711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.131711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.131711 (E_RNA) where: Base-Base interactions energy: -332.238 where: short stacking energy: -218.109 Base-Backbone interact. energy: 2.331 local terms energy: -447.224843 where: bonds (distance) C4'-P energy: -133.261 bonds (distance) P-C4' energy: -131.119 flat angles C4'-P-C4' energy: -113.663 flat angles P-C4'-P energy: -73.153 tors. eta vs tors. theta energy: 3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -720.824801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.824801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.824801 (E_RNA) where: Base-Base interactions energy: -291.617 where: short stacking energy: -215.250 Base-Backbone interact. energy: 0.638 local terms energy: -429.845455 where: bonds (distance) C4'-P energy: -128.304 bonds (distance) P-C4' energy: -125.386 flat angles C4'-P-C4' energy: -112.500 flat angles P-C4'-P energy: -72.689 tors. eta vs tors. theta energy: 9.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2847.704690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.704690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.704690 (E_RNA) where: Base-Base interactions energy: -1938.540 where: short stacking energy: -835.935 Base-Backbone interact. energy: -2.110 local terms energy: -907.054387 where: bonds (distance) C4'-P energy: -179.938 bonds (distance) P-C4' energy: -171.483 flat angles C4'-P-C4' energy: -196.927 flat angles P-C4'-P energy: -111.912 tors. eta vs tors. theta energy: -246.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2836.397059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.397059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.397059 (E_RNA) where: Base-Base interactions energy: -1943.452 where: short stacking energy: -853.519 Base-Backbone interact. energy: -4.675 local terms energy: -888.269917 where: bonds (distance) C4'-P energy: -150.064 bonds (distance) P-C4' energy: -158.169 flat angles C4'-P-C4' energy: -194.243 flat angles P-C4'-P energy: -131.345 tors. eta vs tors. theta energy: -254.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2712.933672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.933672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.933672 (E_RNA) where: Base-Base interactions energy: -1874.499 where: short stacking energy: -786.808 Base-Backbone interact. energy: 3.260 local terms energy: -841.694451 where: bonds (distance) C4'-P energy: -159.788 bonds (distance) P-C4' energy: -152.748 flat angles C4'-P-C4' energy: -182.581 flat angles P-C4'-P energy: -111.935 tors. eta vs tors. theta energy: -234.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2558.898021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.898021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.898021 (E_RNA) where: Base-Base interactions energy: -1733.809 where: short stacking energy: -753.350 Base-Backbone interact. energy: -4.526 local terms energy: -820.562996 where: bonds (distance) C4'-P energy: -147.877 bonds (distance) P-C4' energy: -155.617 flat angles C4'-P-C4' energy: -190.489 flat angles P-C4'-P energy: -98.763 tors. eta vs tors. theta energy: -227.817 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: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2346.792510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.792510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.792510 (E_RNA) where: Base-Base interactions energy: -1613.622 where: short stacking energy: -705.213 Base-Backbone interact. energy: -0.855 local terms energy: -732.315064 where: bonds (distance) C4'-P energy: -149.056 bonds (distance) P-C4' energy: -141.472 flat angles C4'-P-C4' energy: -162.929 flat angles P-C4'-P energy: -98.527 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: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2098.534436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.534436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.534436 (E_RNA) where: Base-Base interactions energy: -1452.241 where: short stacking energy: -642.255 Base-Backbone interact. energy: 1.939 local terms energy: -648.232219 where: bonds (distance) C4'-P energy: -121.912 bonds (distance) P-C4' energy: -130.022 flat angles C4'-P-C4' energy: -149.459 flat angles P-C4'-P energy: -83.806 tors. eta vs tors. theta energy: -163.033 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: 8 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1873.848667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.848667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.848667 (E_RNA) where: Base-Base interactions energy: -1218.631 where: short stacking energy: -518.586 Base-Backbone interact. energy: -0.579 local terms energy: -654.638271 where: bonds (distance) C4'-P energy: -135.403 bonds (distance) P-C4' energy: -153.445 flat angles C4'-P-C4' energy: -154.608 flat angles P-C4'-P energy: -90.064 tors. eta vs tors. theta energy: -121.118 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: 4 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1356.385159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.385159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.385159 (E_RNA) where: Base-Base interactions energy: -824.859 where: short stacking energy: -403.514 Base-Backbone interact. energy: 0.655 local terms energy: -532.180797 where: bonds (distance) C4'-P energy: -131.533 bonds (distance) P-C4' energy: -145.390 flat angles C4'-P-C4' energy: -110.414 flat angles P-C4'-P energy: -69.698 tors. eta vs tors. theta energy: -75.145 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: 9, replica: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -763.661356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.661356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.661356 (E_RNA) where: Base-Base interactions energy: -337.250 where: short stacking energy: -234.204 Base-Backbone interact. energy: 2.706 local terms energy: -429.116746 where: bonds (distance) C4'-P energy: -124.824 bonds (distance) P-C4' energy: -128.086 flat angles C4'-P-C4' energy: -122.046 flat angles P-C4'-P energy: -71.630 tors. eta vs tors. theta energy: 17.469 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: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -702.621131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.621131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.621131 (E_RNA) where: Base-Base interactions energy: -283.498 where: short stacking energy: -219.816 Base-Backbone interact. energy: 1.905 local terms energy: -421.028326 where: bonds (distance) C4'-P energy: -103.892 bonds (distance) P-C4' energy: -146.082 flat angles C4'-P-C4' energy: -108.868 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: 15.081 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: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2839.171798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.171798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.171798 (E_RNA) where: Base-Base interactions energy: -1923.366 where: short stacking energy: -816.111 Base-Backbone interact. energy: -5.684 local terms energy: -910.121112 where: bonds (distance) C4'-P energy: -168.559 bonds (distance) P-C4' energy: -176.876 flat angles C4'-P-C4' energy: -192.417 flat angles P-C4'-P energy: -126.938 tors. eta vs tors. theta energy: -245.331 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: 1 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2860.844602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.844602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.844602 (E_RNA) where: Base-Base interactions energy: -1969.084 where: short stacking energy: -854.143 Base-Backbone interact. energy: -6.932 local terms energy: -884.828086 where: bonds (distance) C4'-P energy: -149.162 bonds (distance) P-C4' energy: -157.108 flat angles C4'-P-C4' energy: -199.205 flat angles P-C4'-P energy: -118.295 tors. eta vs tors. theta energy: -261.058 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: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2710.124372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.124372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.124372 (E_RNA) where: Base-Base interactions energy: -1896.574 where: short stacking energy: -808.848 Base-Backbone interact. energy: -6.021 local terms energy: -807.529991 where: bonds (distance) C4'-P energy: -140.316 bonds (distance) P-C4' energy: -149.312 flat angles C4'-P-C4' energy: -180.248 flat angles P-C4'-P energy: -105.051 tors. eta vs tors. theta energy: -232.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2600.170606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.170606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.170606 (E_RNA) where: Base-Base interactions energy: -1782.151 where: short stacking energy: -772.132 Base-Backbone interact. energy: -3.645 local terms energy: -814.375024 where: bonds (distance) C4'-P energy: -155.107 bonds (distance) P-C4' energy: -151.073 flat angles C4'-P-C4' energy: -170.127 flat angles P-C4'-P energy: -110.766 tors. eta vs tors. theta energy: -227.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2319.582010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.582010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.582010 (E_RNA) where: Base-Base interactions energy: -1541.034 where: short stacking energy: -665.716 Base-Backbone interact. energy: -4.812 local terms energy: -773.736076 where: bonds (distance) C4'-P energy: -144.096 bonds (distance) P-C4' energy: -148.544 flat angles C4'-P-C4' energy: -166.373 flat angles P-C4'-P energy: -114.091 tors. eta vs tors. theta energy: -200.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2192.975061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.975061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.975061 (E_RNA) where: Base-Base interactions energy: -1480.357 where: short stacking energy: -616.444 Base-Backbone interact. energy: -2.521 local terms energy: -710.097202 where: bonds (distance) C4'-P energy: -146.822 bonds (distance) P-C4' energy: -149.343 flat angles C4'-P-C4' energy: -152.339 flat angles P-C4'-P energy: -103.218 tors. eta vs tors. theta energy: -158.375 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: 421 Temperature: 1.200000 Total energy: -1888.677561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.677561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.677561 (E_RNA) where: Base-Base interactions energy: -1221.299 where: short stacking energy: -536.014 Base-Backbone interact. energy: 0.069 local terms energy: -667.447285 where: bonds (distance) C4'-P energy: -134.608 bonds (distance) P-C4' energy: -152.013 flat angles C4'-P-C4' energy: -156.148 flat angles P-C4'-P energy: -89.068 tors. eta vs tors. theta energy: -135.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1424.386469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.386469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.386469 (E_RNA) where: Base-Base interactions energy: -853.920 where: short stacking energy: -397.359 Base-Backbone interact. energy: 1.086 local terms energy: -571.552311 where: bonds (distance) C4'-P energy: -136.463 bonds (distance) P-C4' energy: -126.505 flat angles C4'-P-C4' energy: -151.383 flat angles P-C4'-P energy: -90.297 tors. eta vs tors. theta energy: -66.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -871.722563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.722563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.722563 (E_RNA) where: Base-Base interactions energy: -437.976 where: short stacking energy: -265.777 Base-Backbone interact. energy: 4.390 local terms energy: -438.136578 where: bonds (distance) C4'-P energy: -130.837 bonds (distance) P-C4' energy: -117.517 flat angles C4'-P-C4' energy: -126.913 flat angles P-C4'-P energy: -65.607 tors. eta vs tors. theta energy: 2.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -724.543220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.543220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.543220 (E_RNA) where: Base-Base interactions energy: -314.795 where: short stacking energy: -196.939 Base-Backbone interact. energy: 1.477 local terms energy: -411.225505 where: bonds (distance) C4'-P energy: -116.702 bonds (distance) P-C4' energy: -126.301 flat angles C4'-P-C4' energy: -105.354 flat angles P-C4'-P energy: -75.452 tors. eta vs tors. theta energy: 12.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2842.780665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.780665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.780665 (E_RNA) where: Base-Base interactions energy: -1958.652 where: short stacking energy: -832.249 Base-Backbone interact. energy: 1.786 local terms energy: -885.913670 where: bonds (distance) C4'-P energy: -164.299 bonds (distance) P-C4' energy: -169.424 flat angles C4'-P-C4' energy: -184.684 flat angles P-C4'-P energy: -121.233 tors. eta vs tors. theta energy: -246.274 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: 1 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2836.033286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.033286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.033286 (E_RNA) where: Base-Base interactions energy: -1936.788 where: short stacking energy: -794.971 Base-Backbone interact. energy: -3.414 local terms energy: -895.831468 where: bonds (distance) C4'-P energy: -162.435 bonds (distance) P-C4' energy: -157.546 flat angles C4'-P-C4' energy: -189.761 flat angles P-C4'-P energy: -138.877 tors. eta vs tors. theta energy: -247.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2652.539746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.539746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.539746 (E_RNA) where: Base-Base interactions energy: -1826.225 where: short stacking energy: -761.605 Base-Backbone interact. energy: -0.852 local terms energy: -825.462603 where: bonds (distance) C4'-P energy: -160.593 bonds (distance) P-C4' energy: -152.200 flat angles C4'-P-C4' energy: -185.536 flat angles P-C4'-P energy: -105.714 tors. eta vs tors. theta energy: -221.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2587.250145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.250145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.250145 (E_RNA) where: Base-Base interactions energy: -1781.912 where: short stacking energy: -783.187 Base-Backbone interact. energy: 4.590 local terms energy: -809.928051 where: bonds (distance) C4'-P energy: -150.862 bonds (distance) P-C4' energy: -138.350 flat angles C4'-P-C4' energy: -174.214 flat angles P-C4'-P energy: -110.393 tors. eta vs tors. theta energy: -236.109 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: 10 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2297.371015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.371015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.371015 (E_RNA) where: Base-Base interactions energy: -1566.922 where: short stacking energy: -687.849 Base-Backbone interact. energy: -1.598 local terms energy: -728.851610 where: bonds (distance) C4'-P energy: -130.192 bonds (distance) P-C4' energy: -156.884 flat angles C4'-P-C4' energy: -168.105 flat angles P-C4'-P energy: -98.021 tors. eta vs tors. theta energy: -175.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2157.984777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.984777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.984777 (E_RNA) where: Base-Base interactions energy: -1455.991 where: short stacking energy: -624.915 Base-Backbone interact. energy: 3.576 local terms energy: -705.570169 where: bonds (distance) C4'-P energy: -148.704 bonds (distance) P-C4' energy: -147.223 flat angles C4'-P-C4' energy: -153.629 flat angles P-C4'-P energy: -105.807 tors. eta vs tors. theta energy: -150.206 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: 422 Temperature: 1.200000 Total energy: -1848.565296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.565296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.565296 (E_RNA) where: Base-Base interactions energy: -1187.710 where: short stacking energy: -533.412 Base-Backbone interact. energy: 1.918 local terms energy: -662.773600 where: bonds (distance) C4'-P energy: -118.596 bonds (distance) P-C4' energy: -146.986 flat angles C4'-P-C4' energy: -166.211 flat angles P-C4'-P energy: -90.046 tors. eta vs tors. theta energy: -140.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1412.281136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.281136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.281136 (E_RNA) where: Base-Base interactions energy: -862.889 where: short stacking energy: -408.104 Base-Backbone interact. energy: -4.186 local terms energy: -545.206524 where: bonds (distance) C4'-P energy: -126.712 bonds (distance) P-C4' energy: -136.595 flat angles C4'-P-C4' energy: -138.555 flat angles P-C4'-P energy: -70.716 tors. eta vs tors. theta energy: -72.628 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: 6 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -810.769580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.769580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.769580 (E_RNA) where: Base-Base interactions energy: -388.840 where: short stacking energy: -201.059 Base-Backbone interact. energy: 3.945 local terms energy: -425.874715 where: bonds (distance) C4'-P energy: -115.694 bonds (distance) P-C4' energy: -124.968 flat angles C4'-P-C4' energy: -121.339 flat angles P-C4'-P energy: -80.297 tors. eta vs tors. theta energy: 16.422 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: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -693.929199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.929199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.929199 (E_RNA) where: Base-Base interactions energy: -250.820 where: short stacking energy: -161.535 Base-Backbone interact. energy: 1.459 local terms energy: -444.568548 where: bonds (distance) C4'-P energy: -127.675 bonds (distance) P-C4' energy: -146.845 flat angles C4'-P-C4' energy: -113.493 flat angles P-C4'-P energy: -68.209 tors. eta vs tors. theta energy: 11.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2852.500610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.500610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.500610 (E_RNA) where: Base-Base interactions energy: -1963.343 where: short stacking energy: -823.062 Base-Backbone interact. energy: -1.683 local terms energy: -887.474715 where: bonds (distance) C4'-P energy: -154.718 bonds (distance) P-C4' energy: -160.273 flat angles C4'-P-C4' energy: -186.116 flat angles P-C4'-P energy: -142.632 tors. eta vs tors. theta energy: -243.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2819.660397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.660397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.660397 (E_RNA) where: Base-Base interactions energy: -1940.707 where: short stacking energy: -809.779 Base-Backbone interact. energy: -0.627 local terms energy: -878.326615 where: bonds (distance) C4'-P energy: -154.949 bonds (distance) P-C4' energy: -163.339 flat angles C4'-P-C4' energy: -190.527 flat angles P-C4'-P energy: -130.465 tors. eta vs tors. theta energy: -239.047 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: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2641.985270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.985270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.985270 (E_RNA) where: Base-Base interactions energy: -1841.332 where: short stacking energy: -777.108 Base-Backbone interact. energy: -0.795 local terms energy: -799.857366 where: bonds (distance) C4'-P energy: -143.005 bonds (distance) P-C4' energy: -156.925 flat angles C4'-P-C4' energy: -171.789 flat angles P-C4'-P energy: -95.266 tors. eta vs tors. theta energy: -232.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2564.185003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.185003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.185003 (E_RNA) where: Base-Base interactions energy: -1739.736 where: short stacking energy: -752.463 Base-Backbone interact. energy: 2.470 local terms energy: -826.919813 where: bonds (distance) C4'-P energy: -160.790 bonds (distance) P-C4' energy: -164.493 flat angles C4'-P-C4' energy: -169.514 flat angles P-C4'-P energy: -117.818 tors. eta vs tors. theta energy: -214.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2284.207978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.207978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.207978 (E_RNA) where: Base-Base interactions energy: -1528.528 where: short stacking energy: -644.846 Base-Backbone interact. energy: -0.694 local terms energy: -754.986409 where: bonds (distance) C4'-P energy: -148.329 bonds (distance) P-C4' energy: -151.204 flat angles C4'-P-C4' energy: -163.088 flat angles P-C4'-P energy: -111.890 tors. eta vs tors. theta energy: -180.476 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: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2151.742446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.742446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.742446 (E_RNA) where: Base-Base interactions energy: -1428.768 where: short stacking energy: -633.486 Base-Backbone interact. energy: -1.715 local terms energy: -721.259119 where: bonds (distance) C4'-P energy: -145.164 bonds (distance) P-C4' energy: -137.034 flat angles C4'-P-C4' energy: -168.026 flat angles P-C4'-P energy: -90.743 tors. eta vs tors. theta energy: -180.292 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: 423 Temperature: 1.200000 Total energy: -1843.345441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.345441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.345441 (E_RNA) where: Base-Base interactions energy: -1190.601 where: short stacking energy: -515.166 Base-Backbone interact. energy: -0.042 local terms energy: -652.702058 where: bonds (distance) C4'-P energy: -150.501 bonds (distance) P-C4' energy: -146.476 flat angles C4'-P-C4' energy: -136.578 flat angles P-C4'-P energy: -95.852 tors. eta vs tors. theta energy: -123.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1430.783562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.783562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.783562 (E_RNA) where: Base-Base interactions energy: -898.871 where: short stacking energy: -392.976 Base-Backbone interact. energy: -0.665 local terms energy: -531.248216 where: bonds (distance) C4'-P energy: -118.962 bonds (distance) P-C4' energy: -143.387 flat angles C4'-P-C4' energy: -133.309 flat angles P-C4'-P energy: -85.685 tors. eta vs tors. theta energy: -49.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -795.232067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.232067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.232067 (E_RNA) where: Base-Base interactions energy: -329.506 where: short stacking energy: -226.419 Base-Backbone interact. energy: 2.214 local terms energy: -467.939894 where: bonds (distance) C4'-P energy: -143.712 bonds (distance) P-C4' energy: -157.268 flat angles C4'-P-C4' energy: -111.883 flat angles P-C4'-P energy: -62.570 tors. eta vs tors. theta energy: 7.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -745.208498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.208498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.208498 (E_RNA) where: Base-Base interactions energy: -330.130 where: short stacking energy: -196.493 Base-Backbone interact. energy: -3.380 local terms energy: -411.698988 where: bonds (distance) C4'-P energy: -124.183 bonds (distance) P-C4' energy: -134.808 flat angles C4'-P-C4' energy: -110.727 flat angles P-C4'-P energy: -63.816 tors. eta vs tors. theta energy: 21.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2886.297121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.297121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.297121 (E_RNA) where: Base-Base interactions energy: -1981.375 where: short stacking energy: -831.426 Base-Backbone interact. energy: 1.335 local terms energy: -906.257584 where: bonds (distance) C4'-P energy: -163.909 bonds (distance) P-C4' energy: -174.657 flat angles C4'-P-C4' energy: -183.501 flat angles P-C4'-P energy: -128.011 tors. eta vs tors. theta energy: -256.179 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: 1 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2849.146915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.146915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.146915 (E_RNA) where: Base-Base interactions energy: -1975.752 where: short stacking energy: -859.117 Base-Backbone interact. energy: -1.932 local terms energy: -871.462216 where: bonds (distance) C4'-P energy: -149.439 bonds (distance) P-C4' energy: -174.817 flat angles C4'-P-C4' energy: -190.662 flat angles P-C4'-P energy: -118.834 tors. eta vs tors. theta energy: -237.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2694.506372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.506372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.506372 (E_RNA) where: Base-Base interactions energy: -1884.886 where: short stacking energy: -741.809 Base-Backbone interact. energy: 1.092 local terms energy: -810.712874 where: bonds (distance) C4'-P energy: -144.379 bonds (distance) P-C4' energy: -153.064 flat angles C4'-P-C4' energy: -179.900 flat angles P-C4'-P energy: -115.794 tors. eta vs tors. theta energy: -217.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2529.855051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.855051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.855051 (E_RNA) where: Base-Base interactions energy: -1697.311 where: short stacking energy: -727.060 Base-Backbone interact. energy: -5.085 local terms energy: -827.458435 where: bonds (distance) C4'-P energy: -152.706 bonds (distance) P-C4' energy: -157.647 flat angles C4'-P-C4' energy: -182.150 flat angles P-C4'-P energy: -116.274 tors. eta vs tors. theta energy: -218.682 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: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2279.674286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.674286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.674286 (E_RNA) where: Base-Base interactions energy: -1530.663 where: short stacking energy: -667.941 Base-Backbone interact. energy: 1.262 local terms energy: -750.272848 where: bonds (distance) C4'-P energy: -170.396 bonds (distance) P-C4' energy: -146.644 flat angles C4'-P-C4' energy: -159.199 flat angles P-C4'-P energy: -90.806 tors. eta vs tors. theta energy: -183.227 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: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2127.273474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.273474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.273474 (E_RNA) where: Base-Base interactions energy: -1439.527 where: short stacking energy: -625.367 Base-Backbone interact. energy: 0.228 local terms energy: -687.974029 where: bonds (distance) C4'-P energy: -126.242 bonds (distance) P-C4' energy: -147.011 flat angles C4'-P-C4' energy: -164.601 flat angles P-C4'-P energy: -95.097 tors. eta vs tors. theta energy: -155.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1806.448590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.448590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.448590 (E_RNA) where: Base-Base interactions energy: -1171.349 where: short stacking energy: -512.005 Base-Backbone interact. energy: -2.106 local terms energy: -632.993205 where: bonds (distance) C4'-P energy: -109.204 bonds (distance) P-C4' energy: -140.604 flat angles C4'-P-C4' energy: -168.030 flat angles P-C4'-P energy: -93.082 tors. eta vs tors. theta energy: -122.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1358.992959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.992959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.992959 (E_RNA) where: Base-Base interactions energy: -816.519 where: short stacking energy: -346.298 Base-Backbone interact. energy: -3.770 local terms energy: -538.704220 where: bonds (distance) C4'-P energy: -110.494 bonds (distance) P-C4' energy: -155.065 flat angles C4'-P-C4' energy: -146.844 flat angles P-C4'-P energy: -87.524 tors. eta vs tors. theta energy: -38.777 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: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -835.482423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.482423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.482423 (E_RNA) where: Base-Base interactions energy: -375.354 where: short stacking energy: -237.807 Base-Backbone interact. energy: 4.862 local terms energy: -464.991073 where: bonds (distance) C4'-P energy: -139.388 bonds (distance) P-C4' energy: -141.971 flat angles C4'-P-C4' energy: -127.212 flat angles P-C4'-P energy: -60.968 tors. eta vs tors. theta energy: 4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -724.683959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.683959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.683959 (E_RNA) where: Base-Base interactions energy: -312.143 where: short stacking energy: -216.827 Base-Backbone interact. energy: 1.277 local terms energy: -413.817318 where: bonds (distance) C4'-P energy: -148.963 bonds (distance) P-C4' energy: -129.341 flat angles C4'-P-C4' energy: -107.911 flat angles P-C4'-P energy: -57.458 tors. eta vs tors. theta energy: 29.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2845.114465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.114465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.114465 (E_RNA) where: Base-Base interactions energy: -1956.695 where: short stacking energy: -849.259 Base-Backbone interact. energy: -1.655 local terms energy: -886.764545 where: bonds (distance) C4'-P energy: -160.483 bonds (distance) P-C4' energy: -169.133 flat angles C4'-P-C4' energy: -178.990 flat angles P-C4'-P energy: -126.599 tors. eta vs tors. theta energy: -251.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2760.413203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.413203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.413203 (E_RNA) where: Base-Base interactions energy: -1911.274 where: short stacking energy: -822.112 Base-Backbone interact. energy: -2.303 local terms energy: -846.836780 where: bonds (distance) C4'-P energy: -145.081 bonds (distance) P-C4' energy: -172.262 flat angles C4'-P-C4' energy: -165.603 flat angles P-C4'-P energy: -131.670 tors. eta vs tors. theta energy: -232.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2691.466113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.466113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.466113 (E_RNA) where: Base-Base interactions energy: -1854.075 where: short stacking energy: -771.164 Base-Backbone interact. energy: -3.413 local terms energy: -833.978294 where: bonds (distance) C4'-P energy: -148.592 bonds (distance) P-C4' energy: -169.961 flat angles C4'-P-C4' energy: -170.963 flat angles P-C4'-P energy: -118.865 tors. eta vs tors. theta energy: -225.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2561.033537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.033537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.033537 (E_RNA) where: Base-Base interactions energy: -1762.562 where: short stacking energy: -746.744 Base-Backbone interact. energy: 0.854 local terms energy: -799.326104 where: bonds (distance) C4'-P energy: -129.541 bonds (distance) P-C4' energy: -152.108 flat angles C4'-P-C4' energy: -168.989 flat angles P-C4'-P energy: -118.810 tors. eta vs tors. theta energy: -229.877 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: 5, replica: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2276.484594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.484594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.484594 (E_RNA) where: Base-Base interactions energy: -1554.081 where: short stacking energy: -664.925 Base-Backbone interact. energy: 1.360 local terms energy: -723.763722 where: bonds (distance) C4'-P energy: -140.020 bonds (distance) P-C4' energy: -137.174 flat angles C4'-P-C4' energy: -168.668 flat angles P-C4'-P energy: -102.829 tors. eta vs tors. theta energy: -175.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2140.760842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.760842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.760842 (E_RNA) where: Base-Base interactions energy: -1428.344 where: short stacking energy: -640.555 Base-Backbone interact. energy: 0.445 local terms energy: -712.861423 where: bonds (distance) C4'-P energy: -136.193 bonds (distance) P-C4' energy: -151.308 flat angles C4'-P-C4' energy: -160.201 flat angles P-C4'-P energy: -94.003 tors. eta vs tors. theta energy: -171.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1877.665186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.665186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.665186 (E_RNA) where: Base-Base interactions energy: -1213.835 where: short stacking energy: -547.909 Base-Backbone interact. energy: 2.807 local terms energy: -666.637685 where: bonds (distance) C4'-P energy: -128.977 bonds (distance) P-C4' energy: -130.258 flat angles C4'-P-C4' energy: -161.645 flat angles P-C4'-P energy: -93.780 tors. eta vs tors. theta energy: -151.977 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: 425 Temperature: 1.250000 Total energy: -1434.677570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.677570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.677570 (E_RNA) where: Base-Base interactions energy: -896.826 where: short stacking energy: -409.880 Base-Backbone interact. energy: -0.789 local terms energy: -537.062598 where: bonds (distance) C4'-P energy: -105.475 bonds (distance) P-C4' energy: -149.644 flat angles C4'-P-C4' energy: -124.355 flat angles P-C4'-P energy: -83.309 tors. eta vs tors. theta energy: -74.280 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: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -799.801686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.801686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.801686 (E_RNA) where: Base-Base interactions energy: -372.715 where: short stacking energy: -233.516 Base-Backbone interact. energy: -1.856 local terms energy: -425.230196 where: bonds (distance) C4'-P energy: -130.741 bonds (distance) P-C4' energy: -134.886 flat angles C4'-P-C4' energy: -106.675 flat angles P-C4'-P energy: -69.919 tors. eta vs tors. theta energy: 16.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -690.422571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.422571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.422571 (E_RNA) where: Base-Base interactions energy: -277.441 where: short stacking energy: -178.070 Base-Backbone interact. energy: 1.341 local terms energy: -414.322266 where: bonds (distance) C4'-P energy: -132.701 bonds (distance) P-C4' energy: -131.478 flat angles C4'-P-C4' energy: -114.796 flat angles P-C4'-P energy: -72.150 tors. eta vs tors. theta energy: 36.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2853.741351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.741351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.741351 (E_RNA) where: Base-Base interactions energy: -1960.068 where: short stacking energy: -830.990 Base-Backbone interact. energy: -1.181 local terms energy: -892.493198 where: bonds (distance) C4'-P energy: -139.437 bonds (distance) P-C4' energy: -173.682 flat angles C4'-P-C4' energy: -186.502 flat angles P-C4'-P energy: -125.762 tors. eta vs tors. theta energy: -267.111 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: 2, replica: 1 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2784.175624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.175624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.175624 (E_RNA) where: Base-Base interactions energy: -1941.769 where: short stacking energy: -810.564 Base-Backbone interact. energy: 2.339 local terms energy: -844.745368 where: bonds (distance) C4'-P energy: -140.560 bonds (distance) P-C4' energy: -156.728 flat angles C4'-P-C4' energy: -182.510 flat angles P-C4'-P energy: -130.080 tors. eta vs tors. theta energy: -234.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2692.235687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.235687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.235687 (E_RNA) where: Base-Base interactions energy: -1880.249 where: short stacking energy: -754.917 Base-Backbone interact. energy: 0.966 local terms energy: -812.953042 where: bonds (distance) C4'-P energy: -154.105 bonds (distance) P-C4' energy: -149.017 flat angles C4'-P-C4' energy: -165.039 flat angles P-C4'-P energy: -113.653 tors. eta vs tors. theta energy: -231.138 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: 426 Temperature: 1.050000 Total energy: -2548.014691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.014691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.014691 (E_RNA) where: Base-Base interactions energy: -1710.693 where: short stacking energy: -731.081 Base-Backbone interact. energy: -4.075 local terms energy: -833.246412 where: bonds (distance) C4'-P energy: -155.608 bonds (distance) P-C4' energy: -156.799 flat angles C4'-P-C4' energy: -184.609 flat angles P-C4'-P energy: -130.544 tors. eta vs tors. theta energy: -205.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2298.545122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.545122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.545122 (E_RNA) where: Base-Base interactions energy: -1533.153 where: short stacking energy: -669.154 Base-Backbone interact. energy: 2.054 local terms energy: -767.446763 where: bonds (distance) C4'-P energy: -149.316 bonds (distance) P-C4' energy: -150.954 flat angles C4'-P-C4' energy: -186.069 flat angles P-C4'-P energy: -98.672 tors. eta vs tors. theta energy: -182.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2120.367700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.367700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.367700 (E_RNA) where: Base-Base interactions energy: -1439.314 where: short stacking energy: -618.741 Base-Backbone interact. energy: 3.271 local terms energy: -684.324934 where: bonds (distance) C4'-P energy: -116.260 bonds (distance) P-C4' energy: -148.602 flat angles C4'-P-C4' energy: -168.721 flat angles P-C4'-P energy: -93.102 tors. eta vs tors. theta energy: -157.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1907.746303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.746303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.746303 (E_RNA) where: Base-Base interactions energy: -1232.183 where: short stacking energy: -570.021 Base-Backbone interact. energy: -2.114 local terms energy: -673.449023 where: bonds (distance) C4'-P energy: -139.136 bonds (distance) P-C4' energy: -125.579 flat angles C4'-P-C4' energy: -142.766 flat angles P-C4'-P energy: -111.118 tors. eta vs tors. theta energy: -154.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1451.251224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.251224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.251224 (E_RNA) where: Base-Base interactions energy: -867.925 where: short stacking energy: -391.611 Base-Backbone interact. energy: -2.161 local terms energy: -581.164719 where: bonds (distance) C4'-P energy: -146.004 bonds (distance) P-C4' energy: -151.100 flat angles C4'-P-C4' energy: -124.252 flat angles P-C4'-P energy: -87.890 tors. eta vs tors. theta energy: -71.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -804.092781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.092781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.092781 (E_RNA) where: Base-Base interactions energy: -388.684 where: short stacking energy: -253.759 Base-Backbone interact. energy: -4.711 local terms energy: -410.698017 where: bonds (distance) C4'-P energy: -135.199 bonds (distance) P-C4' energy: -128.613 flat angles C4'-P-C4' energy: -122.563 flat angles P-C4'-P energy: -30.646 tors. eta vs tors. theta energy: 6.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -757.294654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.294654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.294654 (E_RNA) where: Base-Base interactions energy: -316.845 where: short stacking energy: -204.730 Base-Backbone interact. energy: 1.147 local terms energy: -441.596724 where: bonds (distance) C4'-P energy: -139.038 bonds (distance) P-C4' energy: -144.930 flat angles C4'-P-C4' energy: -124.110 flat angles P-C4'-P energy: -62.740 tors. eta vs tors. theta energy: 29.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2878.018677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.018677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.018677 (E_RNA) where: Base-Base interactions energy: -1984.994 where: short stacking energy: -853.541 Base-Backbone interact. energy: -1.592 local terms energy: -891.432782 where: bonds (distance) C4'-P energy: -155.286 bonds (distance) P-C4' energy: -160.736 flat angles C4'-P-C4' energy: -183.540 flat angles P-C4'-P energy: -128.246 tors. eta vs tors. theta energy: -263.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2810.827884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.827884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.827884 (E_RNA) where: Base-Base interactions energy: -1928.574 where: short stacking energy: -791.444 Base-Backbone interact. energy: 0.923 local terms energy: -883.176828 where: bonds (distance) C4'-P energy: -162.011 bonds (distance) P-C4' energy: -171.701 flat angles C4'-P-C4' energy: -186.321 flat angles P-C4'-P energy: -132.489 tors. eta vs tors. theta energy: -230.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2676.337561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.337561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.337561 (E_RNA) where: Base-Base interactions energy: -1846.503 where: short stacking energy: -771.239 Base-Backbone interact. energy: -1.048 local terms energy: -828.786243 where: bonds (distance) C4'-P energy: -148.585 bonds (distance) P-C4' energy: -165.078 flat angles C4'-P-C4' energy: -174.677 flat angles P-C4'-P energy: -113.488 tors. eta vs tors. theta energy: -226.958 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: 7 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2523.085232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.085232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.085232 (E_RNA) where: Base-Base interactions energy: -1724.391 where: short stacking energy: -746.385 Base-Backbone interact. energy: 0.943 local terms energy: -799.637449 where: bonds (distance) C4'-P energy: -149.527 bonds (distance) P-C4' energy: -149.560 flat angles C4'-P-C4' energy: -174.006 flat angles P-C4'-P energy: -110.616 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: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2301.214979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.214979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.214979 (E_RNA) where: Base-Base interactions energy: -1549.973 where: short stacking energy: -658.252 Base-Backbone interact. energy: -2.944 local terms energy: -748.297217 where: bonds (distance) C4'-P energy: -159.693 bonds (distance) P-C4' energy: -141.055 flat angles C4'-P-C4' energy: -159.983 flat angles P-C4'-P energy: -96.198 tors. eta vs tors. theta energy: -191.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2061.643187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.643187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.643187 (E_RNA) where: Base-Base interactions energy: -1373.445 where: short stacking energy: -593.528 Base-Backbone interact. energy: -3.458 local terms energy: -684.740484 where: bonds (distance) C4'-P energy: -137.645 bonds (distance) P-C4' energy: -142.736 flat angles C4'-P-C4' energy: -143.542 flat angles P-C4'-P energy: -114.339 tors. eta vs tors. theta energy: -146.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1812.340142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.340142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.340142 (E_RNA) where: Base-Base interactions energy: -1168.957 where: short stacking energy: -527.544 Base-Backbone interact. energy: -4.232 local terms energy: -639.151317 where: bonds (distance) C4'-P energy: -124.377 bonds (distance) P-C4' energy: -141.053 flat angles C4'-P-C4' energy: -148.699 flat angles P-C4'-P energy: -94.883 tors. eta vs tors. theta energy: -130.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1421.498234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.498234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.498234 (E_RNA) where: Base-Base interactions energy: -859.491 where: short stacking energy: -394.247 Base-Backbone interact. energy: -4.862 local terms energy: -557.145018 where: bonds (distance) C4'-P energy: -143.486 bonds (distance) P-C4' energy: -147.850 flat angles C4'-P-C4' energy: -134.032 flat angles P-C4'-P energy: -66.822 tors. eta vs tors. theta energy: -64.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -851.101206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.101206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.101206 (E_RNA) where: Base-Base interactions energy: -368.824 where: short stacking energy: -236.738 Base-Backbone interact. energy: 7.558 local terms energy: -489.835226 where: bonds (distance) C4'-P energy: -143.722 bonds (distance) P-C4' energy: -131.577 flat angles C4'-P-C4' energy: -121.897 flat angles P-C4'-P energy: -89.000 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -787.799711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.799711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.799711 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -216.635 Base-Backbone interact. energy: -2.774 local terms energy: -420.227507 where: bonds (distance) C4'-P energy: -128.147 bonds (distance) P-C4' energy: -125.650 flat angles C4'-P-C4' energy: -114.322 flat angles P-C4'-P energy: -56.860 tors. eta vs tors. theta energy: 4.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2899.330085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.330085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.330085 (E_RNA) where: Base-Base interactions energy: -1980.215 where: short stacking energy: -842.739 Base-Backbone interact. energy: -0.973 local terms energy: -918.142252 where: bonds (distance) C4'-P energy: -170.597 bonds (distance) P-C4' energy: -157.838 flat angles C4'-P-C4' energy: -198.843 flat angles P-C4'-P energy: -126.804 tors. eta vs tors. theta energy: -264.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2824.556941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.556941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.556941 (E_RNA) where: Base-Base interactions energy: -1956.883 where: short stacking energy: -805.262 Base-Backbone interact. energy: 0.152 local terms energy: -867.826196 where: bonds (distance) C4'-P energy: -165.101 bonds (distance) P-C4' energy: -169.257 flat angles C4'-P-C4' energy: -176.305 flat angles P-C4'-P energy: -129.303 tors. eta vs tors. theta energy: -227.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2709.427416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.427416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.427416 (E_RNA) where: Base-Base interactions energy: -1921.614 where: short stacking energy: -762.016 Base-Backbone interact. energy: -4.584 local terms energy: -783.230106 where: bonds (distance) C4'-P energy: -136.391 bonds (distance) P-C4' energy: -148.940 flat angles C4'-P-C4' energy: -170.479 flat angles P-C4'-P energy: -112.294 tors. eta vs tors. theta energy: -215.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2511.289610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.289610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.289610 (E_RNA) where: Base-Base interactions energy: -1703.068 where: short stacking energy: -716.423 Base-Backbone interact. energy: 0.395 local terms energy: -808.616689 where: bonds (distance) C4'-P energy: -153.414 bonds (distance) P-C4' energy: -167.955 flat angles C4'-P-C4' energy: -177.711 flat angles P-C4'-P energy: -101.720 tors. eta vs tors. theta energy: -207.817 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: 10 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2311.898590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.898590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.898590 (E_RNA) where: Base-Base interactions energy: -1546.130 where: short stacking energy: -697.306 Base-Backbone interact. energy: -2.015 local terms energy: -763.753412 where: bonds (distance) C4'-P energy: -146.782 bonds (distance) P-C4' energy: -136.529 flat angles C4'-P-C4' energy: -179.595 flat angles P-C4'-P energy: -105.329 tors. eta vs tors. theta energy: -195.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2049.299744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.299744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.299744 (E_RNA) where: Base-Base interactions energy: -1375.399 where: short stacking energy: -580.742 Base-Backbone interact. energy: 2.758 local terms energy: -676.659033 where: bonds (distance) C4'-P energy: -159.676 bonds (distance) P-C4' energy: -142.483 flat angles C4'-P-C4' energy: -150.646 flat angles P-C4'-P energy: -92.038 tors. eta vs tors. theta energy: -131.816 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: 428 Temperature: 1.200000 Total energy: -1867.637144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.637144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.637144 (E_RNA) where: Base-Base interactions energy: -1271.137 where: short stacking energy: -559.023 Base-Backbone interact. energy: 0.240 local terms energy: -596.741011 where: bonds (distance) C4'-P energy: -124.539 bonds (distance) P-C4' energy: -130.800 flat angles C4'-P-C4' energy: -136.119 flat angles P-C4'-P energy: -81.206 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: 8, replica: 4 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1466.482030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.482030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.482030 (E_RNA) where: Base-Base interactions energy: -940.490 where: short stacking energy: -444.514 Base-Backbone interact. energy: -0.054 local terms energy: -525.938445 where: bonds (distance) C4'-P energy: -106.405 bonds (distance) P-C4' energy: -133.884 flat angles C4'-P-C4' energy: -138.737 flat angles P-C4'-P energy: -77.498 tors. eta vs tors. theta energy: -69.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -801.829699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.829699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.829699 (E_RNA) where: Base-Base interactions energy: -362.483 where: short stacking energy: -201.559 Base-Backbone interact. energy: -2.858 local terms energy: -436.488179 where: bonds (distance) C4'-P energy: -122.952 bonds (distance) P-C4' energy: -143.606 flat angles C4'-P-C4' energy: -127.113 flat angles P-C4'-P energy: -61.993 tors. eta vs tors. theta energy: 19.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -748.254262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.254262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.254262 (E_RNA) where: Base-Base interactions energy: -313.448 where: short stacking energy: -209.457 Base-Backbone interact. energy: 11.314 local terms energy: -446.120886 where: bonds (distance) C4'-P energy: -117.619 bonds (distance) P-C4' energy: -148.255 flat angles C4'-P-C4' energy: -109.110 flat angles P-C4'-P energy: -75.832 tors. eta vs tors. theta energy: 4.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2881.658675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.658675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.658675 (E_RNA) where: Base-Base interactions energy: -1985.934 where: short stacking energy: -867.597 Base-Backbone interact. energy: -2.141 local terms energy: -893.584205 where: bonds (distance) C4'-P energy: -159.073 bonds (distance) P-C4' energy: -164.239 flat angles C4'-P-C4' energy: -188.156 flat angles P-C4'-P energy: -126.842 tors. eta vs tors. theta energy: -255.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2805.786168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.786168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.786168 (E_RNA) where: Base-Base interactions energy: -1911.768 where: short stacking energy: -826.636 Base-Backbone interact. energy: 2.839 local terms energy: -896.857120 where: bonds (distance) C4'-P energy: -160.567 bonds (distance) P-C4' energy: -173.007 flat angles C4'-P-C4' energy: -190.855 flat angles P-C4'-P energy: -122.120 tors. eta vs tors. theta energy: -250.309 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: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2668.064329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.064329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.064329 (E_RNA) where: Base-Base interactions energy: -1835.043 where: short stacking energy: -736.118 Base-Backbone interact. energy: -4.119 local terms energy: -828.902399 where: bonds (distance) C4'-P energy: -168.244 bonds (distance) P-C4' energy: -149.133 flat angles C4'-P-C4' energy: -170.903 flat angles P-C4'-P energy: -119.485 tors. eta vs tors. theta energy: -221.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2462.176216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.176216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.176216 (E_RNA) where: Base-Base interactions energy: -1660.855 where: short stacking energy: -714.548 Base-Backbone interact. energy: -2.997 local terms energy: -798.324296 where: bonds (distance) C4'-P energy: -153.085 bonds (distance) P-C4' energy: -153.657 flat angles C4'-P-C4' energy: -168.393 flat angles P-C4'-P energy: -113.255 tors. eta vs tors. theta energy: -209.934 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: 5, replica: 10 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2254.967338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.967338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.967338 (E_RNA) where: Base-Base interactions energy: -1508.417 where: short stacking energy: -664.624 Base-Backbone interact. energy: 0.827 local terms energy: -747.377660 where: bonds (distance) C4'-P energy: -125.040 bonds (distance) P-C4' energy: -147.365 flat angles C4'-P-C4' energy: -173.600 flat angles P-C4'-P energy: -109.000 tors. eta vs tors. theta energy: -192.373 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: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2136.421484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.421484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.421484 (E_RNA) where: Base-Base interactions energy: -1450.441 where: short stacking energy: -589.750 Base-Backbone interact. energy: 11.375 local terms energy: -697.355075 where: bonds (distance) C4'-P energy: -144.798 bonds (distance) P-C4' energy: -137.417 flat angles C4'-P-C4' energy: -148.872 flat angles P-C4'-P energy: -109.967 tors. eta vs tors. theta energy: -156.301 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: 7, replica: 8 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1869.359721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.359721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.359721 (E_RNA) where: Base-Base interactions energy: -1203.197 where: short stacking energy: -498.983 Base-Backbone interact. energy: -2.355 local terms energy: -663.807736 where: bonds (distance) C4'-P energy: -155.975 bonds (distance) P-C4' energy: -141.111 flat angles C4'-P-C4' energy: -153.771 flat angles P-C4'-P energy: -109.370 tors. eta vs tors. theta energy: -103.581 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: 8, replica: 4 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1512.245570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.245570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.245570 (E_RNA) where: Base-Base interactions energy: -955.869 where: short stacking energy: -433.607 Base-Backbone interact. energy: 0.289 local terms energy: -556.665712 where: bonds (distance) C4'-P energy: -119.092 bonds (distance) P-C4' energy: -146.087 flat angles C4'-P-C4' energy: -131.772 flat angles P-C4'-P energy: -81.736 tors. eta vs tors. theta energy: -77.978 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: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -827.642046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.642046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.642046 (E_RNA) where: Base-Base interactions energy: -367.791 where: short stacking energy: -227.032 Base-Backbone interact. energy: -4.638 local terms energy: -455.213569 where: bonds (distance) C4'-P energy: -127.477 bonds (distance) P-C4' energy: -134.561 flat angles C4'-P-C4' energy: -113.465 flat angles P-C4'-P energy: -81.772 tors. eta vs tors. theta energy: 2.061 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: 6 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -776.097596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.097596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.097596 (E_RNA) where: Base-Base interactions energy: -359.319 where: short stacking energy: -207.084 Base-Backbone interact. energy: -0.416 local terms energy: -416.363092 where: bonds (distance) C4'-P energy: -126.065 bonds (distance) P-C4' energy: -120.894 flat angles C4'-P-C4' energy: -103.174 flat angles P-C4'-P energy: -93.033 tors. eta vs tors. theta energy: 26.803 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: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2892.207300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.207300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.207300 (E_RNA) where: Base-Base interactions energy: -1989.326 where: short stacking energy: -832.390 Base-Backbone interact. energy: -2.130 local terms energy: -900.750982 where: bonds (distance) C4'-P energy: -162.904 bonds (distance) P-C4' energy: -171.566 flat angles C4'-P-C4' energy: -179.676 flat angles P-C4'-P energy: -138.847 tors. eta vs tors. theta energy: -247.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2795.781190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.781190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.781190 (E_RNA) where: Base-Base interactions energy: -1959.813 where: short stacking energy: -813.099 Base-Backbone interact. energy: -0.220 local terms energy: -835.748088 where: bonds (distance) C4'-P energy: -155.424 bonds (distance) P-C4' energy: -157.945 flat angles C4'-P-C4' energy: -180.056 flat angles P-C4'-P energy: -116.041 tors. eta vs tors. theta energy: -226.282 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: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2657.222556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.222556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.222556 (E_RNA) where: Base-Base interactions energy: -1818.919 where: short stacking energy: -721.741 Base-Backbone interact. energy: -4.240 local terms energy: -834.063814 where: bonds (distance) C4'-P energy: -167.025 bonds (distance) P-C4' energy: -159.134 flat angles C4'-P-C4' energy: -188.773 flat angles P-C4'-P energy: -110.392 tors. eta vs tors. theta energy: -208.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2517.441888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.441888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.441888 (E_RNA) where: Base-Base interactions energy: -1715.794 where: short stacking energy: -757.885 Base-Backbone interact. energy: 5.965 local terms energy: -807.612323 where: bonds (distance) C4'-P energy: -146.056 bonds (distance) P-C4' energy: -152.624 flat angles C4'-P-C4' energy: -172.855 flat angles P-C4'-P energy: -108.669 tors. eta vs tors. theta energy: -227.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2285.506660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.506660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.506660 (E_RNA) where: Base-Base interactions energy: -1515.305 where: short stacking energy: -679.889 Base-Backbone interact. energy: -0.742 local terms energy: -769.459490 where: bonds (distance) C4'-P energy: -135.877 bonds (distance) P-C4' energy: -140.693 flat angles C4'-P-C4' energy: -185.131 flat angles P-C4'-P energy: -119.449 tors. eta vs tors. theta energy: -188.309 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: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2150.910685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.910685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.910685 (E_RNA) where: Base-Base interactions energy: -1465.321 where: short stacking energy: -644.244 Base-Backbone interact. energy: -3.986 local terms energy: -681.604104 where: bonds (distance) C4'-P energy: -127.896 bonds (distance) P-C4' energy: -128.634 flat angles C4'-P-C4' energy: -151.285 flat angles P-C4'-P energy: -97.178 tors. eta vs tors. theta energy: -176.611 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: 7, replica: 8 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1902.658022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.658022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.658022 (E_RNA) where: Base-Base interactions energy: -1219.645 where: short stacking energy: -534.898 Base-Backbone interact. energy: -1.925 local terms energy: -681.088198 where: bonds (distance) C4'-P energy: -146.180 bonds (distance) P-C4' energy: -145.568 flat angles C4'-P-C4' energy: -167.306 flat angles P-C4'-P energy: -89.670 tors. eta vs tors. theta energy: -132.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1437.932688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.932688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.932688 (E_RNA) where: Base-Base interactions energy: -887.112 where: short stacking energy: -390.949 Base-Backbone interact. energy: -2.482 local terms energy: -548.338570 where: bonds (distance) C4'-P energy: -128.371 bonds (distance) P-C4' energy: -127.726 flat angles C4'-P-C4' energy: -141.729 flat angles P-C4'-P energy: -78.104 tors. eta vs tors. theta energy: -72.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -834.190005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.190005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.190005 (E_RNA) where: Base-Base interactions energy: -344.961 where: short stacking energy: -221.950 Base-Backbone interact. energy: 0.541 local terms energy: -489.770514 where: bonds (distance) C4'-P energy: -143.032 bonds (distance) P-C4' energy: -150.678 flat angles C4'-P-C4' energy: -129.618 flat angles P-C4'-P energy: -68.493 tors. eta vs tors. theta energy: 2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -732.525094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.525094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.525094 (E_RNA) where: Base-Base interactions energy: -323.622 where: short stacking energy: -190.401 Base-Backbone interact. energy: 2.384 local terms energy: -411.287545 where: bonds (distance) C4'-P energy: -127.785 bonds (distance) P-C4' energy: -139.927 flat angles C4'-P-C4' energy: -110.634 flat angles P-C4'-P energy: -61.086 tors. eta vs tors. theta energy: 28.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2880.479889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.479889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.479889 (E_RNA) where: Base-Base interactions energy: -1990.124 where: short stacking energy: -836.990 Base-Backbone interact. energy: -2.627 local terms energy: -887.729736 where: bonds (distance) C4'-P energy: -154.207 bonds (distance) P-C4' energy: -178.122 flat angles C4'-P-C4' energy: -179.464 flat angles P-C4'-P energy: -118.736 tors. eta vs tors. theta energy: -257.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2791.413680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.413680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.413680 (E_RNA) where: Base-Base interactions energy: -1910.286 where: short stacking energy: -804.333 Base-Backbone interact. energy: -3.094 local terms energy: -878.033288 where: bonds (distance) C4'-P energy: -160.822 bonds (distance) P-C4' energy: -169.752 flat angles C4'-P-C4' energy: -184.040 flat angles P-C4'-P energy: -127.150 tors. eta vs tors. theta energy: -236.269 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: 3 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2649.606677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.606677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.606677 (E_RNA) where: Base-Base interactions energy: -1810.538 where: short stacking energy: -795.015 Base-Backbone interact. energy: -4.829 local terms energy: -834.239140 where: bonds (distance) C4'-P energy: -152.050 bonds (distance) P-C4' energy: -166.414 flat angles C4'-P-C4' energy: -182.467 flat angles P-C4'-P energy: -105.978 tors. eta vs tors. theta energy: -227.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2508.231976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.231976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.231976 (E_RNA) where: Base-Base interactions energy: -1740.247 where: short stacking energy: -740.011 Base-Backbone interact. energy: -3.373 local terms energy: -764.612881 where: bonds (distance) C4'-P energy: -151.061 bonds (distance) P-C4' energy: -138.899 flat angles C4'-P-C4' energy: -164.201 flat angles P-C4'-P energy: -101.181 tors. eta vs tors. theta energy: -209.271 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: 10 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2307.195356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.195356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.195356 (E_RNA) where: Base-Base interactions energy: -1525.552 where: short stacking energy: -675.042 Base-Backbone interact. energy: -2.028 local terms energy: -779.615140 where: bonds (distance) C4'-P energy: -149.298 bonds (distance) P-C4' energy: -161.694 flat angles C4'-P-C4' energy: -172.017 flat angles P-C4'-P energy: -104.212 tors. eta vs tors. theta energy: -192.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2142.502646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.502646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.502646 (E_RNA) where: Base-Base interactions energy: -1439.578 where: short stacking energy: -602.011 Base-Backbone interact. energy: -1.646 local terms energy: -701.278896 where: bonds (distance) C4'-P energy: -131.867 bonds (distance) P-C4' energy: -142.916 flat angles C4'-P-C4' energy: -153.907 flat angles P-C4'-P energy: -100.355 tors. eta vs tors. theta energy: -172.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1889.264653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.264653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.264653 (E_RNA) where: Base-Base interactions energy: -1253.628 where: short stacking energy: -539.044 Base-Backbone interact. energy: -4.152 local terms energy: -631.484754 where: bonds (distance) C4'-P energy: -116.445 bonds (distance) P-C4' energy: -134.299 flat angles C4'-P-C4' energy: -152.086 flat angles P-C4'-P energy: -92.925 tors. eta vs tors. theta energy: -135.730 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: 8, replica: 4 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1510.912135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.912135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.912135 (E_RNA) where: Base-Base interactions energy: -981.748 where: short stacking energy: -434.382 Base-Backbone interact. energy: 3.556 local terms energy: -532.719983 where: bonds (distance) C4'-P energy: -128.608 bonds (distance) P-C4' energy: -124.296 flat angles C4'-P-C4' energy: -129.689 flat angles P-C4'-P energy: -73.874 tors. eta vs tors. theta energy: -76.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -806.497005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.497005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.497005 (E_RNA) where: Base-Base interactions energy: -342.807 where: short stacking energy: -237.647 Base-Backbone interact. energy: 5.911 local terms energy: -469.601013 where: bonds (distance) C4'-P energy: -148.252 bonds (distance) P-C4' energy: -118.521 flat angles C4'-P-C4' energy: -129.769 flat angles P-C4'-P energy: -72.597 tors. eta vs tors. theta energy: -0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -754.152527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.152527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.152527 (E_RNA) where: Base-Base interactions energy: -326.239 where: short stacking energy: -189.522 Base-Backbone interact. energy: 3.177 local terms energy: -431.090667 where: bonds (distance) C4'-P energy: -123.907 bonds (distance) P-C4' energy: -135.076 flat angles C4'-P-C4' energy: -121.695 flat angles P-C4'-P energy: -64.511 tors. eta vs tors. theta energy: 14.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2883.456119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.456119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.456119 (E_RNA) where: Base-Base interactions energy: -1985.665 where: short stacking energy: -838.678 Base-Backbone interact. energy: -2.173 local terms energy: -895.618747 where: bonds (distance) C4'-P energy: -166.996 bonds (distance) P-C4' energy: -168.957 flat angles C4'-P-C4' energy: -178.027 flat angles P-C4'-P energy: -138.162 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: 2, replica: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2786.641327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.641327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.641327 (E_RNA) where: Base-Base interactions energy: -1932.201 where: short stacking energy: -782.711 Base-Backbone interact. energy: -3.043 local terms energy: -851.396764 where: bonds (distance) C4'-P energy: -148.484 bonds (distance) P-C4' energy: -161.654 flat angles C4'-P-C4' energy: -187.395 flat angles P-C4'-P energy: -125.291 tors. eta vs tors. theta energy: -228.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2639.710798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.710798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.710798 (E_RNA) where: Base-Base interactions energy: -1810.108 where: short stacking energy: -769.831 Base-Backbone interact. energy: -4.920 local terms energy: -824.682220 where: bonds (distance) C4'-P energy: -152.603 bonds (distance) P-C4' energy: -145.933 flat angles C4'-P-C4' energy: -184.148 flat angles P-C4'-P energy: -111.766 tors. eta vs tors. theta energy: -230.232 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: 7 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2500.394705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.394705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.394705 (E_RNA) where: Base-Base interactions energy: -1697.528 where: short stacking energy: -748.806 Base-Backbone interact. energy: -5.235 local terms energy: -797.631974 where: bonds (distance) C4'-P energy: -150.195 bonds (distance) P-C4' energy: -141.800 flat angles C4'-P-C4' energy: -166.608 flat angles P-C4'-P energy: -121.484 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: 10 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2316.731081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.731081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.731081 (E_RNA) where: Base-Base interactions energy: -1539.921 where: short stacking energy: -661.494 Base-Backbone interact. energy: 1.268 local terms energy: -778.078563 where: bonds (distance) C4'-P energy: -158.850 bonds (distance) P-C4' energy: -155.680 flat angles C4'-P-C4' energy: -172.409 flat angles P-C4'-P energy: -100.942 tors. eta vs tors. theta energy: -190.197 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: 5 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2198.060093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.060093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.060093 (E_RNA) where: Base-Base interactions energy: -1458.512 where: short stacking energy: -655.532 Base-Backbone interact. energy: -3.196 local terms energy: -736.352334 where: bonds (distance) C4'-P energy: -128.083 bonds (distance) P-C4' energy: -155.986 flat angles C4'-P-C4' energy: -170.886 flat angles P-C4'-P energy: -98.828 tors. eta vs tors. theta energy: -182.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1865.474298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.474298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.474298 (E_RNA) where: Base-Base interactions energy: -1230.657 where: short stacking energy: -538.369 Base-Backbone interact. energy: -4.796 local terms energy: -630.020995 where: bonds (distance) C4'-P energy: -129.188 bonds (distance) P-C4' energy: -130.479 flat angles C4'-P-C4' energy: -155.614 flat angles P-C4'-P energy: -85.898 tors. eta vs tors. theta energy: -128.842 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: 4 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1536.714891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.714891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.714891 (E_RNA) where: Base-Base interactions energy: -967.283 where: short stacking energy: -429.740 Base-Backbone interact. energy: -3.738 local terms energy: -565.694209 where: bonds (distance) C4'-P energy: -137.692 bonds (distance) P-C4' energy: -147.790 flat angles C4'-P-C4' energy: -132.006 flat angles P-C4'-P energy: -70.088 tors. eta vs tors. theta energy: -78.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -791.627453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.627453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.627453 (E_RNA) where: Base-Base interactions energy: -335.961 where: short stacking energy: -214.678 Base-Backbone interact. energy: 3.437 local terms energy: -459.103239 where: bonds (distance) C4'-P energy: -132.974 bonds (distance) P-C4' energy: -142.359 flat angles C4'-P-C4' energy: -121.906 flat angles P-C4'-P energy: -50.954 tors. eta vs tors. theta energy: -10.910 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: 6 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -758.625393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.625393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.625393 (E_RNA) where: Base-Base interactions energy: -321.455 where: short stacking energy: -198.140 Base-Backbone interact. energy: -3.428 local terms energy: -433.742123 where: bonds (distance) C4'-P energy: -130.856 bonds (distance) P-C4' energy: -140.303 flat angles C4'-P-C4' energy: -116.493 flat angles P-C4'-P energy: -81.770 tors. eta vs tors. theta energy: 35.681 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: 1, replica: 2 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2893.226123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.226123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.226123 (E_RNA) where: Base-Base interactions energy: -1999.295 where: short stacking energy: -853.069 Base-Backbone interact. energy: -3.305 local terms energy: -890.625991 where: bonds (distance) C4'-P energy: -170.581 bonds (distance) P-C4' energy: -166.455 flat angles C4'-P-C4' energy: -181.318 flat angles P-C4'-P energy: -115.670 tors. eta vs tors. theta energy: -256.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2809.936482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.936482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.936482 (E_RNA) where: Base-Base interactions energy: -1936.859 where: short stacking energy: -771.070 Base-Backbone interact. energy: -6.738 local terms energy: -866.339799 where: bonds (distance) C4'-P energy: -166.832 bonds (distance) P-C4' energy: -167.406 flat angles C4'-P-C4' energy: -181.327 flat angles P-C4'-P energy: -123.682 tors. eta vs tors. theta energy: -227.093 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: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2677.915890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.915890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.915890 (E_RNA) where: Base-Base interactions energy: -1842.542 where: short stacking energy: -751.365 Base-Backbone interact. energy: -6.586 local terms energy: -828.788234 where: bonds (distance) C4'-P energy: -161.472 bonds (distance) P-C4' energy: -154.743 flat angles C4'-P-C4' energy: -176.350 flat angles P-C4'-P energy: -118.911 tors. eta vs tors. theta energy: -217.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2515.212047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.212047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.212047 (E_RNA) where: Base-Base interactions energy: -1707.443 where: short stacking energy: -753.181 Base-Backbone interact. energy: -3.822 local terms energy: -803.947278 where: bonds (distance) C4'-P energy: -149.452 bonds (distance) P-C4' energy: -160.459 flat angles C4'-P-C4' energy: -168.341 flat angles P-C4'-P energy: -103.237 tors. eta vs tors. theta energy: -222.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2303.594339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.594339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.594339 (E_RNA) where: Base-Base interactions energy: -1572.879 where: short stacking energy: -663.372 Base-Backbone interact. energy: -3.374 local terms energy: -727.340905 where: bonds (distance) C4'-P energy: -149.345 bonds (distance) P-C4' energy: -142.336 flat angles C4'-P-C4' energy: -156.905 flat angles P-C4'-P energy: -95.098 tors. eta vs tors. theta energy: -183.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2195.368769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.368769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.368769 (E_RNA) where: Base-Base interactions energy: -1482.188 where: short stacking energy: -631.679 Base-Backbone interact. energy: 4.192 local terms energy: -717.372831 where: bonds (distance) C4'-P energy: -137.308 bonds (distance) P-C4' energy: -140.148 flat angles C4'-P-C4' energy: -167.373 flat angles P-C4'-P energy: -95.015 tors. eta vs tors. theta energy: -177.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1890.391963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.391963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.391963 (E_RNA) where: Base-Base interactions energy: -1266.987 where: short stacking energy: -570.766 Base-Backbone interact. energy: 1.396 local terms energy: -624.800279 where: bonds (distance) C4'-P energy: -119.350 bonds (distance) P-C4' energy: -138.403 flat angles C4'-P-C4' energy: -139.560 flat angles P-C4'-P energy: -85.070 tors. eta vs tors. theta energy: -142.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1491.290849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.290849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.290849 (E_RNA) where: Base-Base interactions energy: -916.959 where: short stacking energy: -385.825 Base-Backbone interact. energy: 1.449 local terms energy: -575.780978 where: bonds (distance) C4'-P energy: -151.924 bonds (distance) P-C4' energy: -134.072 flat angles C4'-P-C4' energy: -130.817 flat angles P-C4'-P energy: -83.757 tors. eta vs tors. theta energy: -75.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -775.370108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.370108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.370108 (E_RNA) where: Base-Base interactions energy: -374.325 where: short stacking energy: -259.832 Base-Backbone interact. energy: 6.683 local terms energy: -407.728283 where: bonds (distance) C4'-P energy: -121.978 bonds (distance) P-C4' energy: -120.153 flat angles C4'-P-C4' energy: -110.982 flat angles P-C4'-P energy: -67.252 tors. eta vs tors. theta energy: 12.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -794.518258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.518258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.518258 (E_RNA) where: Base-Base interactions energy: -363.501 where: short stacking energy: -231.023 Base-Backbone interact. energy: 5.703 local terms energy: -436.720177 where: bonds (distance) C4'-P energy: -125.285 bonds (distance) P-C4' energy: -130.289 flat angles C4'-P-C4' energy: -114.910 flat angles P-C4'-P energy: -70.785 tors. eta vs tors. theta energy: 4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2868.532390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.532390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.532390 (E_RNA) where: Base-Base interactions energy: -1970.859 where: short stacking energy: -823.247 Base-Backbone interact. energy: 1.601 local terms energy: -899.274680 where: bonds (distance) C4'-P energy: -159.002 bonds (distance) P-C4' energy: -177.342 flat angles C4'-P-C4' energy: -190.116 flat angles P-C4'-P energy: -124.361 tors. eta vs tors. theta energy: -248.454 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: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2816.411613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.411613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.411613 (E_RNA) where: Base-Base interactions energy: -1950.330 where: short stacking energy: -818.261 Base-Backbone interact. energy: -1.207 local terms energy: -864.874628 where: bonds (distance) C4'-P energy: -167.614 bonds (distance) P-C4' energy: -150.368 flat angles C4'-P-C4' energy: -181.402 flat angles P-C4'-P energy: -127.897 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: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2655.241239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.241239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.241239 (E_RNA) where: Base-Base interactions energy: -1840.211 where: short stacking energy: -791.165 Base-Backbone interact. energy: -4.779 local terms energy: -810.250597 where: bonds (distance) C4'-P energy: -138.069 bonds (distance) P-C4' energy: -160.975 flat angles C4'-P-C4' energy: -173.826 flat angles P-C4'-P energy: -123.531 tors. eta vs tors. theta energy: -213.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2514.117464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.117464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.117464 (E_RNA) where: Base-Base interactions energy: -1721.818 where: short stacking energy: -758.099 Base-Backbone interact. energy: -0.294 local terms energy: -792.005629 where: bonds (distance) C4'-P energy: -152.624 bonds (distance) P-C4' energy: -146.143 flat angles C4'-P-C4' energy: -167.122 flat angles P-C4'-P energy: -115.808 tors. eta vs tors. theta energy: -210.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2285.025142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.025142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.025142 (E_RNA) where: Base-Base interactions energy: -1509.881 where: short stacking energy: -655.375 Base-Backbone interact. energy: 1.007 local terms energy: -776.151562 where: bonds (distance) C4'-P energy: -161.917 bonds (distance) P-C4' energy: -148.475 flat angles C4'-P-C4' energy: -171.692 flat angles P-C4'-P energy: -111.300 tors. eta vs tors. theta energy: -182.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2172.484743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.484743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.484743 (E_RNA) where: Base-Base interactions energy: -1442.912 where: short stacking energy: -625.627 Base-Backbone interact. energy: -1.314 local terms energy: -728.258852 where: bonds (distance) C4'-P energy: -146.572 bonds (distance) P-C4' energy: -127.334 flat angles C4'-P-C4' energy: -155.896 flat angles P-C4'-P energy: -115.541 tors. eta vs tors. theta energy: -182.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1889.591914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.591914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.591914 (E_RNA) where: Base-Base interactions energy: -1256.630 where: short stacking energy: -558.461 Base-Backbone interact. energy: -3.648 local terms energy: -629.313689 where: bonds (distance) C4'-P energy: -125.119 bonds (distance) P-C4' energy: -148.115 flat angles C4'-P-C4' energy: -140.154 flat angles P-C4'-P energy: -88.220 tors. eta vs tors. theta energy: -127.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1447.594327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.594327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.594327 (E_RNA) where: Base-Base interactions energy: -893.778 where: short stacking energy: -406.087 Base-Backbone interact. energy: 3.353 local terms energy: -557.168733 where: bonds (distance) C4'-P energy: -135.911 bonds (distance) P-C4' energy: -145.573 flat angles C4'-P-C4' energy: -126.840 flat angles P-C4'-P energy: -88.534 tors. eta vs tors. theta energy: -60.310 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: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -786.943529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.943529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.943529 (E_RNA) where: Base-Base interactions energy: -352.588 where: short stacking energy: -253.516 Base-Backbone interact. energy: 3.008 local terms energy: -437.363745 where: bonds (distance) C4'-P energy: -133.400 bonds (distance) P-C4' energy: -121.797 flat angles C4'-P-C4' energy: -140.926 flat angles P-C4'-P energy: -50.278 tors. eta vs tors. theta energy: 9.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -771.025756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.025756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.025756 (E_RNA) where: Base-Base interactions energy: -349.206 where: short stacking energy: -182.229 Base-Backbone interact. energy: 0.646 local terms energy: -422.465506 where: bonds (distance) C4'-P energy: -127.783 bonds (distance) P-C4' energy: -150.645 flat angles C4'-P-C4' energy: -106.688 flat angles P-C4'-P energy: -59.801 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: 2 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2886.053389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.053389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.053389 (E_RNA) where: Base-Base interactions energy: -1991.937 where: short stacking energy: -846.888 Base-Backbone interact. energy: -3.368 local terms energy: -890.748806 where: bonds (distance) C4'-P energy: -162.212 bonds (distance) P-C4' energy: -150.511 flat angles C4'-P-C4' energy: -198.088 flat angles P-C4'-P energy: -132.294 tors. eta vs tors. theta energy: -247.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2814.768039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.768039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.768039 (E_RNA) where: Base-Base interactions energy: -1926.548 where: short stacking energy: -789.770 Base-Backbone interact. energy: -0.740 local terms energy: -887.479304 where: bonds (distance) C4'-P energy: -169.237 bonds (distance) P-C4' energy: -161.964 flat angles C4'-P-C4' energy: -192.447 flat angles P-C4'-P energy: -130.094 tors. eta vs tors. theta energy: -233.738 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: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2702.837599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.837599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.837599 (E_RNA) where: Base-Base interactions energy: -1866.800 where: short stacking energy: -778.021 Base-Backbone interact. energy: 0.380 local terms energy: -836.417635 where: bonds (distance) C4'-P energy: -164.854 bonds (distance) P-C4' energy: -157.130 flat angles C4'-P-C4' energy: -177.015 flat angles P-C4'-P energy: -117.786 tors. eta vs tors. theta energy: -219.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2542.763200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.763200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.763200 (E_RNA) where: Base-Base interactions energy: -1708.663 where: short stacking energy: -727.543 Base-Backbone interact. energy: -2.141 local terms energy: -831.959487 where: bonds (distance) C4'-P energy: -152.177 bonds (distance) P-C4' energy: -155.572 flat angles C4'-P-C4' energy: -183.568 flat angles P-C4'-P energy: -131.029 tors. eta vs tors. theta energy: -209.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2264.322955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.322955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.322955 (E_RNA) where: Base-Base interactions energy: -1496.004 where: short stacking energy: -641.676 Base-Backbone interact. energy: -5.516 local terms energy: -762.803614 where: bonds (distance) C4'-P energy: -148.163 bonds (distance) P-C4' energy: -159.448 flat angles C4'-P-C4' energy: -156.934 flat angles P-C4'-P energy: -119.762 tors. eta vs tors. theta energy: -178.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2196.643952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.643952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.643952 (E_RNA) where: Base-Base interactions energy: -1464.242 where: short stacking energy: -636.834 Base-Backbone interact. energy: 5.083 local terms energy: -737.485223 where: bonds (distance) C4'-P energy: -160.557 bonds (distance) P-C4' energy: -122.645 flat angles C4'-P-C4' energy: -160.902 flat angles P-C4'-P energy: -100.364 tors. eta vs tors. theta energy: -193.017 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: 435 Temperature: 1.200000 Total energy: -1821.690015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.690015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.690015 (E_RNA) where: Base-Base interactions energy: -1179.071 where: short stacking energy: -505.663 Base-Backbone interact. energy: -1.873 local terms energy: -640.746446 where: bonds (distance) C4'-P energy: -144.346 bonds (distance) P-C4' energy: -144.953 flat angles C4'-P-C4' energy: -141.425 flat angles P-C4'-P energy: -88.155 tors. eta vs tors. theta energy: -121.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1507.216742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.216742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.216742 (E_RNA) where: Base-Base interactions energy: -908.026 where: short stacking energy: -410.432 Base-Backbone interact. energy: -3.090 local terms energy: -596.100619 where: bonds (distance) C4'-P energy: -138.372 bonds (distance) P-C4' energy: -157.326 flat angles C4'-P-C4' energy: -134.349 flat angles P-C4'-P energy: -84.306 tors. eta vs tors. theta energy: -81.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -766.440703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.440703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.440703 (E_RNA) where: Base-Base interactions energy: -325.813 where: short stacking energy: -212.037 Base-Backbone interact. energy: 8.488 local terms energy: -449.115352 where: bonds (distance) C4'-P energy: -141.668 bonds (distance) P-C4' energy: -142.952 flat angles C4'-P-C4' energy: -114.916 flat angles P-C4'-P energy: -85.861 tors. eta vs tors. theta energy: 36.282 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: 6 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -766.212854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.212854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.212854 (E_RNA) where: Base-Base interactions energy: -327.711 where: short stacking energy: -196.209 Base-Backbone interact. energy: 6.500 local terms energy: -445.001969 where: bonds (distance) C4'-P energy: -117.038 bonds (distance) P-C4' energy: -146.089 flat angles C4'-P-C4' energy: -130.911 flat angles P-C4'-P energy: -75.713 tors. eta vs tors. theta energy: 24.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2855.301085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.301085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.301085 (E_RNA) where: Base-Base interactions energy: -1952.922 where: short stacking energy: -818.700 Base-Backbone interact. energy: 0.569 local terms energy: -902.948256 where: bonds (distance) C4'-P energy: -163.070 bonds (distance) P-C4' energy: -168.504 flat angles C4'-P-C4' energy: -188.931 flat angles P-C4'-P energy: -136.572 tors. eta vs tors. theta energy: -245.870 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: 2 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2826.935445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.935445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.935445 (E_RNA) where: Base-Base interactions energy: -1920.109 where: short stacking energy: -826.058 Base-Backbone interact. energy: -0.756 local terms energy: -906.070541 where: bonds (distance) C4'-P energy: -168.186 bonds (distance) P-C4' energy: -173.177 flat angles C4'-P-C4' energy: -184.784 flat angles P-C4'-P energy: -137.563 tors. eta vs tors. theta energy: -242.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2703.147740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.147740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.147740 (E_RNA) where: Base-Base interactions energy: -1880.123 where: short stacking energy: -762.093 Base-Backbone interact. energy: -5.671 local terms energy: -817.354071 where: bonds (distance) C4'-P energy: -160.058 bonds (distance) P-C4' energy: -156.604 flat angles C4'-P-C4' energy: -185.430 flat angles P-C4'-P energy: -97.827 tors. eta vs tors. theta energy: -217.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2543.499106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.499106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.499106 (E_RNA) where: Base-Base interactions energy: -1739.289 where: short stacking energy: -764.767 Base-Backbone interact. energy: -1.215 local terms energy: -802.995643 where: bonds (distance) C4'-P energy: -156.474 bonds (distance) P-C4' energy: -131.181 flat angles C4'-P-C4' energy: -179.278 flat angles P-C4'-P energy: -116.902 tors. eta vs tors. theta energy: -219.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2300.792734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.792734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.792734 (E_RNA) where: Base-Base interactions energy: -1551.495 where: short stacking energy: -697.940 Base-Backbone interact. energy: -1.998 local terms energy: -747.299731 where: bonds (distance) C4'-P energy: -146.255 bonds (distance) P-C4' energy: -150.967 flat angles C4'-P-C4' energy: -160.622 flat angles P-C4'-P energy: -98.901 tors. eta vs tors. theta energy: -190.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2231.758392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.758392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.758392 (E_RNA) where: Base-Base interactions energy: -1476.458 where: short stacking energy: -631.128 Base-Backbone interact. energy: -1.301 local terms energy: -753.999833 where: bonds (distance) C4'-P energy: -139.718 bonds (distance) P-C4' energy: -150.996 flat angles C4'-P-C4' energy: -172.703 flat angles P-C4'-P energy: -108.796 tors. eta vs tors. theta energy: -181.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1826.254592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.254592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.254592 (E_RNA) where: Base-Base interactions energy: -1194.742 where: short stacking energy: -546.849 Base-Backbone interact. energy: 0.624 local terms energy: -632.136017 where: bonds (distance) C4'-P energy: -128.056 bonds (distance) P-C4' energy: -149.724 flat angles C4'-P-C4' energy: -156.563 flat angles P-C4'-P energy: -63.881 tors. eta vs tors. theta energy: -133.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1476.581537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.581537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.581537 (E_RNA) where: Base-Base interactions energy: -871.953 where: short stacking energy: -440.260 Base-Backbone interact. energy: -1.533 local terms energy: -603.095231 where: bonds (distance) C4'-P energy: -132.351 bonds (distance) P-C4' energy: -148.316 flat angles C4'-P-C4' energy: -148.060 flat angles P-C4'-P energy: -88.085 tors. eta vs tors. theta energy: -86.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -789.636646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.636646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.636646 (E_RNA) where: Base-Base interactions energy: -368.356 where: short stacking energy: -231.323 Base-Backbone interact. energy: 5.033 local terms energy: -426.313546 where: bonds (distance) C4'-P energy: -140.576 bonds (distance) P-C4' energy: -135.142 flat angles C4'-P-C4' energy: -110.118 flat angles P-C4'-P energy: -57.543 tors. eta vs tors. theta energy: 17.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -820.233898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.233898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.233898 (E_RNA) where: Base-Base interactions energy: -368.009 where: short stacking energy: -225.806 Base-Backbone interact. energy: -0.783 local terms energy: -451.441693 where: bonds (distance) C4'-P energy: -131.659 bonds (distance) P-C4' energy: -128.043 flat angles C4'-P-C4' energy: -125.016 flat angles P-C4'-P energy: -76.630 tors. eta vs tors. theta energy: 9.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2886.004961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.004961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.004961 (E_RNA) where: Base-Base interactions energy: -1996.816 where: short stacking energy: -843.207 Base-Backbone interact. energy: -6.197 local terms energy: -882.991869 where: bonds (distance) C4'-P energy: -157.998 bonds (distance) P-C4' energy: -165.185 flat angles C4'-P-C4' energy: -196.876 flat angles P-C4'-P energy: -122.046 tors. eta vs tors. theta energy: -240.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2833.185764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.185764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.185764 (E_RNA) where: Base-Base interactions energy: -1935.445 where: short stacking energy: -844.805 Base-Backbone interact. energy: -1.798 local terms energy: -895.942515 where: bonds (distance) C4'-P energy: -168.331 bonds (distance) P-C4' energy: -148.463 flat angles C4'-P-C4' energy: -186.277 flat angles P-C4'-P energy: -128.065 tors. eta vs tors. theta energy: -264.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2691.606367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.606367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.606367 (E_RNA) where: Base-Base interactions energy: -1882.583 where: short stacking energy: -765.770 Base-Backbone interact. energy: 1.010 local terms energy: -810.033246 where: bonds (distance) C4'-P energy: -145.454 bonds (distance) P-C4' energy: -153.058 flat angles C4'-P-C4' energy: -185.759 flat angles P-C4'-P energy: -105.167 tors. eta vs tors. theta energy: -220.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2547.229216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.229216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.229216 (E_RNA) where: Base-Base interactions energy: -1723.474 where: short stacking energy: -758.180 Base-Backbone interact. energy: -0.730 local terms energy: -823.024718 where: bonds (distance) C4'-P energy: -142.676 bonds (distance) P-C4' energy: -173.875 flat angles C4'-P-C4' energy: -175.308 flat angles P-C4'-P energy: -106.618 tors. eta vs tors. theta energy: -224.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2268.915089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.915089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.915089 (E_RNA) where: Base-Base interactions energy: -1542.384 where: short stacking energy: -680.160 Base-Backbone interact. energy: -1.300 local terms energy: -725.230748 where: bonds (distance) C4'-P energy: -148.106 bonds (distance) P-C4' energy: -135.853 flat angles C4'-P-C4' energy: -160.804 flat angles P-C4'-P energy: -100.122 tors. eta vs tors. theta energy: -180.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2209.079772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.079772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.079772 (E_RNA) where: Base-Base interactions energy: -1473.645 where: short stacking energy: -636.958 Base-Backbone interact. energy: -2.122 local terms energy: -733.312612 where: bonds (distance) C4'-P energy: -136.794 bonds (distance) P-C4' energy: -137.795 flat angles C4'-P-C4' energy: -156.901 flat angles P-C4'-P energy: -116.212 tors. eta vs tors. theta energy: -185.612 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: 437 Temperature: 1.200000 Total energy: -1846.453131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.453131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.453131 (E_RNA) where: Base-Base interactions energy: -1193.232 where: short stacking energy: -539.726 Base-Backbone interact. energy: -1.905 local terms energy: -651.315477 where: bonds (distance) C4'-P energy: -148.597 bonds (distance) P-C4' energy: -131.553 flat angles C4'-P-C4' energy: -146.433 flat angles P-C4'-P energy: -98.504 tors. eta vs tors. theta energy: -126.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1442.700166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.700166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.700166 (E_RNA) where: Base-Base interactions energy: -879.083 where: short stacking energy: -409.477 Base-Backbone interact. energy: 0.095 local terms energy: -563.712129 where: bonds (distance) C4'-P energy: -134.990 bonds (distance) P-C4' energy: -131.871 flat angles C4'-P-C4' energy: -135.106 flat angles P-C4'-P energy: -99.624 tors. eta vs tors. theta energy: -62.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -782.860459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.860459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.860459 (E_RNA) where: Base-Base interactions energy: -345.624 where: short stacking energy: -202.588 Base-Backbone interact. energy: 7.539 local terms energy: -444.774940 where: bonds (distance) C4'-P energy: -127.221 bonds (distance) P-C4' energy: -141.859 flat angles C4'-P-C4' energy: -134.952 flat angles P-C4'-P energy: -75.396 tors. eta vs tors. theta energy: 34.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -792.196545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.196545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.196545 (E_RNA) where: Base-Base interactions energy: -389.791 where: short stacking energy: -205.399 Base-Backbone interact. energy: -3.792 local terms energy: -398.613572 where: bonds (distance) C4'-P energy: -125.782 bonds (distance) P-C4' energy: -123.305 flat angles C4'-P-C4' energy: -119.106 flat angles P-C4'-P energy: -50.031 tors. eta vs tors. theta energy: 19.612 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: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2838.828199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.828199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.828199 (E_RNA) where: Base-Base interactions energy: -1954.250 where: short stacking energy: -842.693 Base-Backbone interact. energy: -1.496 local terms energy: -883.082167 where: bonds (distance) C4'-P energy: -170.401 bonds (distance) P-C4' energy: -157.823 flat angles C4'-P-C4' energy: -201.960 flat angles P-C4'-P energy: -116.191 tors. eta vs tors. theta energy: -236.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2777.905693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.905693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.905693 (E_RNA) where: Base-Base interactions energy: -1912.319 where: short stacking energy: -814.608 Base-Backbone interact. energy: 1.410 local terms energy: -866.996724 where: bonds (distance) C4'-P energy: -161.620 bonds (distance) P-C4' energy: -169.799 flat angles C4'-P-C4' energy: -177.858 flat angles P-C4'-P energy: -118.916 tors. eta vs tors. theta energy: -238.803 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: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2710.156297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.156297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.156297 (E_RNA) where: Base-Base interactions energy: -1859.374 where: short stacking energy: -784.802 Base-Backbone interact. energy: 0.234 local terms energy: -851.015618 where: bonds (distance) C4'-P energy: -149.471 bonds (distance) P-C4' energy: -165.585 flat angles C4'-P-C4' energy: -172.072 flat angles P-C4'-P energy: -136.865 tors. eta vs tors. theta energy: -227.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2485.519078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.519078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.519078 (E_RNA) where: Base-Base interactions energy: -1681.449 where: short stacking energy: -746.473 Base-Backbone interact. energy: -4.109 local terms energy: -799.960640 where: bonds (distance) C4'-P energy: -149.713 bonds (distance) P-C4' energy: -139.260 flat angles C4'-P-C4' energy: -176.677 flat angles P-C4'-P energy: -118.004 tors. eta vs tors. theta energy: -216.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2318.057532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.057532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.057532 (E_RNA) where: Base-Base interactions energy: -1558.969 where: short stacking energy: -668.604 Base-Backbone interact. energy: -1.037 local terms energy: -758.050977 where: bonds (distance) C4'-P energy: -152.778 bonds (distance) P-C4' energy: -158.716 flat angles C4'-P-C4' energy: -166.868 flat angles P-C4'-P energy: -106.005 tors. eta vs tors. theta energy: -173.684 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: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2198.877071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.877071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.877071 (E_RNA) where: Base-Base interactions energy: -1466.584 where: short stacking energy: -646.318 Base-Backbone interact. energy: 0.208 local terms energy: -732.501491 where: bonds (distance) C4'-P energy: -136.527 bonds (distance) P-C4' energy: -137.530 flat angles C4'-P-C4' energy: -156.058 flat angles P-C4'-P energy: -108.703 tors. eta vs tors. theta energy: -193.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1864.549958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.549958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.549958 (E_RNA) where: Base-Base interactions energy: -1233.938 where: short stacking energy: -520.100 Base-Backbone interact. energy: -0.154 local terms energy: -630.457981 where: bonds (distance) C4'-P energy: -123.028 bonds (distance) P-C4' energy: -149.361 flat angles C4'-P-C4' energy: -140.196 flat angles P-C4'-P energy: -97.655 tors. eta vs tors. theta energy: -120.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1504.150101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.150101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.150101 (E_RNA) where: Base-Base interactions energy: -939.142 where: short stacking energy: -426.666 Base-Backbone interact. energy: -1.105 local terms energy: -563.902501 where: bonds (distance) C4'-P energy: -118.284 bonds (distance) P-C4' energy: -153.879 flat angles C4'-P-C4' energy: -142.812 flat angles P-C4'-P energy: -77.046 tors. eta vs tors. theta energy: -71.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -822.157604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.157604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.157604 (E_RNA) where: Base-Base interactions energy: -375.807 where: short stacking energy: -236.771 Base-Backbone interact. energy: 2.644 local terms energy: -448.994471 where: bonds (distance) C4'-P energy: -128.579 bonds (distance) P-C4' energy: -112.656 flat angles C4'-P-C4' energy: -131.240 flat angles P-C4'-P energy: -84.092 tors. eta vs tors. theta energy: 7.573 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: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -721.437430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.437430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.437430 (E_RNA) where: Base-Base interactions energy: -303.260 where: short stacking energy: -165.415 Base-Backbone interact. energy: 8.171 local terms energy: -426.347937 where: bonds (distance) C4'-P energy: -136.224 bonds (distance) P-C4' energy: -155.149 flat angles C4'-P-C4' energy: -93.241 flat angles P-C4'-P energy: -74.998 tors. eta vs tors. theta energy: 33.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2842.204788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.204788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.204788 (E_RNA) where: Base-Base interactions energy: -1954.291 where: short stacking energy: -819.199 Base-Backbone interact. energy: -0.157 local terms energy: -887.756193 where: bonds (distance) C4'-P energy: -176.694 bonds (distance) P-C4' energy: -169.674 flat angles C4'-P-C4' energy: -181.249 flat angles P-C4'-P energy: -125.090 tors. eta vs tors. theta energy: -235.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2784.922847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.922847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.922847 (E_RNA) where: Base-Base interactions energy: -1905.868 where: short stacking energy: -786.007 Base-Backbone interact. energy: 5.979 local terms energy: -885.033678 where: bonds (distance) C4'-P energy: -154.116 bonds (distance) P-C4' energy: -162.740 flat angles C4'-P-C4' energy: -192.211 flat angles P-C4'-P energy: -131.166 tors. eta vs tors. theta energy: -244.800 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: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2727.700471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.700471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.700471 (E_RNA) where: Base-Base interactions energy: -1896.034 where: short stacking energy: -787.775 Base-Backbone interact. energy: -4.722 local terms energy: -826.944184 where: bonds (distance) C4'-P energy: -155.838 bonds (distance) P-C4' energy: -153.729 flat angles C4'-P-C4' energy: -179.145 flat angles P-C4'-P energy: -116.956 tors. eta vs tors. theta energy: -221.277 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: 7 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2489.639760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.639760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.639760 (E_RNA) where: Base-Base interactions energy: -1684.971 where: short stacking energy: -767.378 Base-Backbone interact. energy: -2.925 local terms energy: -801.744184 where: bonds (distance) C4'-P energy: -147.034 bonds (distance) P-C4' energy: -160.260 flat angles C4'-P-C4' energy: -172.766 flat angles P-C4'-P energy: -107.665 tors. eta vs tors. theta energy: -214.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2328.216619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.216619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.216619 (E_RNA) where: Base-Base interactions energy: -1578.978 where: short stacking energy: -699.823 Base-Backbone interact. energy: -2.074 local terms energy: -747.165235 where: bonds (distance) C4'-P energy: -148.881 bonds (distance) P-C4' energy: -149.417 flat angles C4'-P-C4' energy: -158.781 flat angles P-C4'-P energy: -94.264 tors. eta vs tors. theta energy: -195.823 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: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2185.881287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.881287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.881287 (E_RNA) where: Base-Base interactions energy: -1474.348 where: short stacking energy: -629.396 Base-Backbone interact. energy: 2.339 local terms energy: -713.872736 where: bonds (distance) C4'-P energy: -141.732 bonds (distance) P-C4' energy: -150.325 flat angles C4'-P-C4' energy: -158.942 flat angles P-C4'-P energy: -105.929 tors. eta vs tors. theta energy: -156.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1868.957862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.957862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.957862 (E_RNA) where: Base-Base interactions energy: -1218.475 where: short stacking energy: -545.411 Base-Backbone interact. energy: 2.984 local terms energy: -653.467417 where: bonds (distance) C4'-P energy: -153.694 bonds (distance) P-C4' energy: -136.801 flat angles C4'-P-C4' energy: -144.815 flat angles P-C4'-P energy: -96.361 tors. eta vs tors. theta energy: -121.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1505.217484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.217484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.217484 (E_RNA) where: Base-Base interactions energy: -933.958 where: short stacking energy: -441.438 Base-Backbone interact. energy: -1.991 local terms energy: -569.268123 where: bonds (distance) C4'-P energy: -140.440 bonds (distance) P-C4' energy: -125.364 flat angles C4'-P-C4' energy: -135.892 flat angles P-C4'-P energy: -80.889 tors. eta vs tors. theta energy: -86.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -842.200405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.200405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.200405 (E_RNA) where: Base-Base interactions energy: -422.020 where: short stacking energy: -251.167 Base-Backbone interact. energy: 1.863 local terms energy: -422.043140 where: bonds (distance) C4'-P energy: -115.902 bonds (distance) P-C4' energy: -139.476 flat angles C4'-P-C4' energy: -108.311 flat angles P-C4'-P energy: -73.335 tors. eta vs tors. theta energy: 14.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -721.523134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.523134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.523134 (E_RNA) where: Base-Base interactions energy: -298.190 where: short stacking energy: -192.831 Base-Backbone interact. energy: 0.766 local terms energy: -424.098349 where: bonds (distance) C4'-P energy: -127.597 bonds (distance) P-C4' energy: -153.171 flat angles C4'-P-C4' energy: -82.175 flat angles P-C4'-P energy: -72.369 tors. eta vs tors. theta energy: 11.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2841.541520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.541520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.541520 (E_RNA) where: Base-Base interactions energy: -1945.885 where: short stacking energy: -804.876 Base-Backbone interact. energy: -0.734 local terms energy: -894.922869 where: bonds (distance) C4'-P energy: -181.585 bonds (distance) P-C4' energy: -165.862 flat angles C4'-P-C4' energy: -187.906 flat angles P-C4'-P energy: -124.900 tors. eta vs tors. theta energy: -234.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2804.011305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.011305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.011305 (E_RNA) where: Base-Base interactions energy: -1911.684 where: short stacking energy: -820.700 Base-Backbone interact. energy: -6.860 local terms energy: -885.466708 where: bonds (distance) C4'-P energy: -175.463 bonds (distance) P-C4' energy: -170.677 flat angles C4'-P-C4' energy: -184.877 flat angles P-C4'-P energy: -102.030 tors. eta vs tors. theta energy: -252.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2757.383724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.383724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.383724 (E_RNA) where: Base-Base interactions energy: -1920.378 where: short stacking energy: -778.693 Base-Backbone interact. energy: -4.060 local terms energy: -832.946069 where: bonds (distance) C4'-P energy: -153.849 bonds (distance) P-C4' energy: -140.597 flat angles C4'-P-C4' energy: -188.549 flat angles P-C4'-P energy: -124.811 tors. eta vs tors. theta energy: -225.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2496.370517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.370517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.370517 (E_RNA) where: Base-Base interactions energy: -1706.370 where: short stacking energy: -729.733 Base-Backbone interact. energy: -3.084 local terms energy: -786.916949 where: bonds (distance) C4'-P energy: -135.994 bonds (distance) P-C4' energy: -138.367 flat angles C4'-P-C4' energy: -178.276 flat angles P-C4'-P energy: -126.153 tors. eta vs tors. theta energy: -208.126 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: 5, replica: 5 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2318.663405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.663405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.663405 (E_RNA) where: Base-Base interactions energy: -1561.329 where: short stacking energy: -670.823 Base-Backbone interact. energy: -2.839 local terms energy: -754.495723 where: bonds (distance) C4'-P energy: -141.009 bonds (distance) P-C4' energy: -153.588 flat angles C4'-P-C4' energy: -166.924 flat angles P-C4'-P energy: -108.879 tors. eta vs tors. theta energy: -184.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2211.910333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.910333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.910333 (E_RNA) where: Base-Base interactions energy: -1462.365 where: short stacking energy: -644.275 Base-Backbone interact. energy: -3.562 local terms energy: -745.983168 where: bonds (distance) C4'-P energy: -132.911 bonds (distance) P-C4' energy: -155.081 flat angles C4'-P-C4' energy: -158.491 flat angles P-C4'-P energy: -104.969 tors. eta vs tors. theta energy: -194.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1832.037036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.037036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.037036 (E_RNA) where: Base-Base interactions energy: -1222.829 where: short stacking energy: -552.339 Base-Backbone interact. energy: 0.412 local terms energy: -609.620190 where: bonds (distance) C4'-P energy: -121.142 bonds (distance) P-C4' energy: -125.288 flat angles C4'-P-C4' energy: -149.372 flat angles P-C4'-P energy: -94.581 tors. eta vs tors. theta energy: -119.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1576.626340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.626340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.626340 (E_RNA) where: Base-Base interactions energy: -992.049 where: short stacking energy: -426.718 Base-Backbone interact. energy: 3.230 local terms energy: -587.806954 where: bonds (distance) C4'-P energy: -138.655 bonds (distance) P-C4' energy: -145.789 flat angles C4'-P-C4' energy: -145.574 flat angles P-C4'-P energy: -71.341 tors. eta vs tors. theta energy: -86.448 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: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -805.052175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.052175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.052175 (E_RNA) where: Base-Base interactions energy: -335.500 where: short stacking energy: -218.446 Base-Backbone interact. energy: -1.137 local terms energy: -468.415655 where: bonds (distance) C4'-P energy: -134.912 bonds (distance) P-C4' energy: -143.186 flat angles C4'-P-C4' energy: -115.299 flat angles P-C4'-P energy: -78.355 tors. eta vs tors. theta energy: 3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -795.445945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.445945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.445945 (E_RNA) where: Base-Base interactions energy: -375.743 where: short stacking energy: -249.883 Base-Backbone interact. energy: 2.791 local terms energy: -422.494811 where: bonds (distance) C4'-P energy: -122.342 bonds (distance) P-C4' energy: -127.286 flat angles C4'-P-C4' energy: -107.840 flat angles P-C4'-P energy: -74.374 tors. eta vs tors. theta energy: 9.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2816.288514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.288514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.288514 (E_RNA) where: Base-Base interactions energy: -1953.080 where: short stacking energy: -806.075 Base-Backbone interact. energy: 2.964 local terms energy: -866.171865 where: bonds (distance) C4'-P energy: -154.156 bonds (distance) P-C4' energy: -171.225 flat angles C4'-P-C4' energy: -192.225 flat angles P-C4'-P energy: -124.276 tors. eta vs tors. theta energy: -224.290 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: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2812.802863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.802863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.802863 (E_RNA) where: Base-Base interactions energy: -1928.805 where: short stacking energy: -802.314 Base-Backbone interact. energy: -0.869 local terms energy: -883.129441 where: bonds (distance) C4'-P energy: -168.667 bonds (distance) P-C4' energy: -173.051 flat angles C4'-P-C4' energy: -179.533 flat angles P-C4'-P energy: -122.736 tors. eta vs tors. theta energy: -239.143 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: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2735.039235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.039235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.039235 (E_RNA) where: Base-Base interactions energy: -1919.968 where: short stacking energy: -813.850 Base-Backbone interact. energy: 1.474 local terms energy: -816.544747 where: bonds (distance) C4'-P energy: -136.386 bonds (distance) P-C4' energy: -161.778 flat angles C4'-P-C4' energy: -176.426 flat angles P-C4'-P energy: -112.861 tors. eta vs tors. theta energy: -229.093 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: 7 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2498.990171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.990171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.990171 (E_RNA) where: Base-Base interactions energy: -1677.722 where: short stacking energy: -735.710 Base-Backbone interact. energy: -2.255 local terms energy: -819.013185 where: bonds (distance) C4'-P energy: -165.984 bonds (distance) P-C4' energy: -164.607 flat angles C4'-P-C4' energy: -171.850 flat angles P-C4'-P energy: -116.338 tors. eta vs tors. theta energy: -200.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2312.814352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.814352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.814352 (E_RNA) where: Base-Base interactions energy: -1564.952 where: short stacking energy: -662.124 Base-Backbone interact. energy: 0.474 local terms energy: -748.336388 where: bonds (distance) C4'-P energy: -148.998 bonds (distance) P-C4' energy: -145.546 flat angles C4'-P-C4' energy: -161.957 flat angles P-C4'-P energy: -107.799 tors. eta vs tors. theta energy: -184.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2178.538234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.538234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.538234 (E_RNA) where: Base-Base interactions energy: -1438.952 where: short stacking energy: -624.896 Base-Backbone interact. energy: -3.622 local terms energy: -735.964104 where: bonds (distance) C4'-P energy: -143.482 bonds (distance) P-C4' energy: -137.124 flat angles C4'-P-C4' energy: -166.153 flat angles P-C4'-P energy: -104.949 tors. eta vs tors. theta energy: -184.256 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: 441 Temperature: 1.200000 Total energy: -1837.388864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.388864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.388864 (E_RNA) where: Base-Base interactions energy: -1175.892 where: short stacking energy: -544.503 Base-Backbone interact. energy: -0.984 local terms energy: -660.512344 where: bonds (distance) C4'-P energy: -128.275 bonds (distance) P-C4' energy: -128.884 flat angles C4'-P-C4' energy: -159.494 flat angles P-C4'-P energy: -94.060 tors. eta vs tors. theta energy: -149.800 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: 4 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1524.272074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.272074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.272074 (E_RNA) where: Base-Base interactions energy: -945.258 where: short stacking energy: -426.782 Base-Backbone interact. energy: -0.565 local terms energy: -578.449381 where: bonds (distance) C4'-P energy: -135.062 bonds (distance) P-C4' energy: -147.718 flat angles C4'-P-C4' energy: -150.760 flat angles P-C4'-P energy: -73.900 tors. eta vs tors. theta energy: -71.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -802.665968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.665968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.665968 (E_RNA) where: Base-Base interactions energy: -365.826 where: short stacking energy: -224.459 Base-Backbone interact. energy: 3.115 local terms energy: -439.955264 where: bonds (distance) C4'-P energy: -118.499 bonds (distance) P-C4' energy: -135.925 flat angles C4'-P-C4' energy: -117.347 flat angles P-C4'-P energy: -67.041 tors. eta vs tors. theta energy: -1.144 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: 6 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -767.277282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.277282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.277282 (E_RNA) where: Base-Base interactions energy: -363.812 where: short stacking energy: -227.429 Base-Backbone interact. energy: -3.109 local terms energy: -400.355990 where: bonds (distance) C4'-P energy: -121.228 bonds (distance) P-C4' energy: -131.956 flat angles C4'-P-C4' energy: -107.921 flat angles P-C4'-P energy: -72.458 tors. eta vs tors. theta energy: 33.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2837.020799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.020799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.020799 (E_RNA) where: Base-Base interactions energy: -1932.696 where: short stacking energy: -804.638 Base-Backbone interact. energy: -5.225 local terms energy: -899.099960 where: bonds (distance) C4'-P energy: -165.582 bonds (distance) P-C4' energy: -166.253 flat angles C4'-P-C4' energy: -197.167 flat angles P-C4'-P energy: -120.537 tors. eta vs tors. theta energy: -249.562 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: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2785.026664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.026664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.026664 (E_RNA) where: Base-Base interactions energy: -1940.935 where: short stacking energy: -809.316 Base-Backbone interact. energy: -2.778 local terms energy: -841.313873 where: bonds (distance) C4'-P energy: -156.261 bonds (distance) P-C4' energy: -148.514 flat angles C4'-P-C4' energy: -178.420 flat angles P-C4'-P energy: -118.817 tors. eta vs tors. theta energy: -239.302 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: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2717.681981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.681981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.681981 (E_RNA) where: Base-Base interactions energy: -1890.424 where: short stacking energy: -800.193 Base-Backbone interact. energy: -6.734 local terms energy: -820.523340 where: bonds (distance) C4'-P energy: -145.783 bonds (distance) P-C4' energy: -155.486 flat angles C4'-P-C4' energy: -183.743 flat angles P-C4'-P energy: -121.953 tors. eta vs tors. theta energy: -213.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2496.001727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.001727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.001727 (E_RNA) where: Base-Base interactions energy: -1677.601 where: short stacking energy: -734.146 Base-Backbone interact. energy: 0.861 local terms energy: -819.261611 where: bonds (distance) C4'-P energy: -128.846 bonds (distance) P-C4' energy: -158.598 flat angles C4'-P-C4' energy: -185.532 flat angles P-C4'-P energy: -122.788 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: 5, replica: 5 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2303.759738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.759738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.759738 (E_RNA) where: Base-Base interactions energy: -1514.974 where: short stacking energy: -678.913 Base-Backbone interact. energy: -4.653 local terms energy: -784.132964 where: bonds (distance) C4'-P energy: -149.288 bonds (distance) P-C4' energy: -166.503 flat angles C4'-P-C4' energy: -170.065 flat angles P-C4'-P energy: -98.103 tors. eta vs tors. theta energy: -200.174 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: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2234.064352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.064352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.064352 (E_RNA) where: Base-Base interactions energy: -1496.950 where: short stacking energy: -642.996 Base-Backbone interact. energy: -0.383 local terms energy: -736.730684 where: bonds (distance) C4'-P energy: -142.630 bonds (distance) P-C4' energy: -165.786 flat angles C4'-P-C4' energy: -157.989 flat angles P-C4'-P energy: -98.883 tors. eta vs tors. theta energy: -171.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2014.562594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.562594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.562594 (E_RNA) where: Base-Base interactions energy: -1305.635 where: short stacking energy: -578.940 Base-Backbone interact. energy: 3.278 local terms energy: -712.204838 where: bonds (distance) C4'-P energy: -147.901 bonds (distance) P-C4' energy: -147.022 flat angles C4'-P-C4' energy: -162.384 flat angles P-C4'-P energy: -100.855 tors. eta vs tors. theta energy: -154.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1507.294130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.294130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.294130 (E_RNA) where: Base-Base interactions energy: -942.187 where: short stacking energy: -439.071 Base-Backbone interact. energy: 1.542 local terms energy: -566.648461 where: bonds (distance) C4'-P energy: -106.701 bonds (distance) P-C4' energy: -141.834 flat angles C4'-P-C4' energy: -141.674 flat angles P-C4'-P energy: -97.748 tors. eta vs tors. theta energy: -78.692 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: 9, replica: 6 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -867.767488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.767488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.767488 (E_RNA) where: Base-Base interactions energy: -396.014 where: short stacking energy: -205.953 Base-Backbone interact. energy: 3.021 local terms energy: -474.775111 where: bonds (distance) C4'-P energy: -137.215 bonds (distance) P-C4' energy: -143.275 flat angles C4'-P-C4' energy: -115.944 flat angles P-C4'-P energy: -72.383 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -706.164959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.164959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.164959 (E_RNA) where: Base-Base interactions energy: -316.507 where: short stacking energy: -187.926 Base-Backbone interact. energy: 0.295 local terms energy: -389.952717 where: bonds (distance) C4'-P energy: -129.200 bonds (distance) P-C4' energy: -126.658 flat angles C4'-P-C4' energy: -111.173 flat angles P-C4'-P energy: -69.344 tors. eta vs tors. theta energy: 46.422 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: 443 Temperature: 0.900000 Total energy: -2856.967872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.967872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.967872 (E_RNA) where: Base-Base interactions energy: -1974.375 where: short stacking energy: -844.790 Base-Backbone interact. energy: -5.003 local terms energy: -877.590066 where: bonds (distance) C4'-P energy: -159.563 bonds (distance) P-C4' energy: -163.681 flat angles C4'-P-C4' energy: -185.400 flat angles P-C4'-P energy: -120.242 tors. eta vs tors. theta energy: -248.704 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: 3 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2803.472753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.472753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.472753 (E_RNA) where: Base-Base interactions energy: -1938.359 where: short stacking energy: -787.289 Base-Backbone interact. energy: -1.271 local terms energy: -863.842173 where: bonds (distance) C4'-P energy: -169.912 bonds (distance) P-C4' energy: -151.141 flat angles C4'-P-C4' energy: -184.285 flat angles P-C4'-P energy: -131.202 tors. eta vs tors. theta energy: -227.303 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: 443 Temperature: 1.000000 Total energy: -2732.665397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.665397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.665397 (E_RNA) where: Base-Base interactions energy: -1888.842 where: short stacking energy: -786.349 Base-Backbone interact. energy: -2.126 local terms energy: -841.697773 where: bonds (distance) C4'-P energy: -173.696 bonds (distance) P-C4' energy: -151.847 flat angles C4'-P-C4' energy: -169.861 flat angles P-C4'-P energy: -105.983 tors. eta vs tors. theta energy: -240.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2529.033691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.033691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.033691 (E_RNA) where: Base-Base interactions energy: -1767.053 where: short stacking energy: -752.940 Base-Backbone interact. energy: -1.602 local terms energy: -760.379014 where: bonds (distance) C4'-P energy: -132.049 bonds (distance) P-C4' energy: -136.123 flat angles C4'-P-C4' energy: -164.749 flat angles P-C4'-P energy: -122.773 tors. eta vs tors. theta energy: -204.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2300.443815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.443815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.443815 (E_RNA) where: Base-Base interactions energy: -1530.356 where: short stacking energy: -676.739 Base-Backbone interact. energy: -4.130 local terms energy: -765.958597 where: bonds (distance) C4'-P energy: -154.337 bonds (distance) P-C4' energy: -141.175 flat angles C4'-P-C4' energy: -163.697 flat angles P-C4'-P energy: -112.615 tors. eta vs tors. theta energy: -194.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2200.957372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.957372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.957372 (E_RNA) where: Base-Base interactions energy: -1473.564 where: short stacking energy: -624.989 Base-Backbone interact. energy: -4.504 local terms energy: -722.888860 where: bonds (distance) C4'-P energy: -137.853 bonds (distance) P-C4' energy: -142.834 flat angles C4'-P-C4' energy: -169.393 flat angles P-C4'-P energy: -80.410 tors. eta vs tors. theta energy: -192.400 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: 443 Temperature: 1.200000 Total energy: -1922.711558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.711558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.711558 (E_RNA) where: Base-Base interactions energy: -1280.236 where: short stacking energy: -567.163 Base-Backbone interact. energy: 4.598 local terms energy: -647.073354 where: bonds (distance) C4'-P energy: -132.636 bonds (distance) P-C4' energy: -124.652 flat angles C4'-P-C4' energy: -156.564 flat angles P-C4'-P energy: -92.358 tors. eta vs tors. theta energy: -140.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1570.892511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.892511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.892511 (E_RNA) where: Base-Base interactions energy: -989.668 where: short stacking energy: -453.456 Base-Backbone interact. energy: -0.021 local terms energy: -581.204035 where: bonds (distance) C4'-P energy: -134.665 bonds (distance) P-C4' energy: -134.020 flat angles C4'-P-C4' energy: -133.775 flat angles P-C4'-P energy: -94.636 tors. eta vs tors. theta energy: -84.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -929.111198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.111198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.111198 (E_RNA) where: Base-Base interactions energy: -482.403 where: short stacking energy: -283.178 Base-Backbone interact. energy: -2.772 local terms energy: -443.935818 where: bonds (distance) C4'-P energy: -143.713 bonds (distance) P-C4' energy: -124.633 flat angles C4'-P-C4' energy: -111.324 flat angles P-C4'-P energy: -57.199 tors. eta vs tors. theta energy: -7.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -810.318846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.318846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.318846 (E_RNA) where: Base-Base interactions energy: -387.080 where: short stacking energy: -221.522 Base-Backbone interact. energy: -0.424 local terms energy: -422.815286 where: bonds (distance) C4'-P energy: -127.622 bonds (distance) P-C4' energy: -118.481 flat angles C4'-P-C4' energy: -112.347 flat angles P-C4'-P energy: -70.519 tors. eta vs tors. theta energy: 6.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2891.026165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.026165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.026165 (E_RNA) where: Base-Base interactions energy: -1994.776 where: short stacking energy: -856.498 Base-Backbone interact. energy: 1.341 local terms energy: -897.591253 where: bonds (distance) C4'-P energy: -173.836 bonds (distance) P-C4' energy: -159.247 flat angles C4'-P-C4' energy: -194.769 flat angles P-C4'-P energy: -122.319 tors. eta vs tors. theta energy: -247.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2804.526936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.526936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.526936 (E_RNA) where: Base-Base interactions energy: -1952.163 where: short stacking energy: -780.143 Base-Backbone interact. energy: -5.228 local terms energy: -847.135660 where: bonds (distance) C4'-P energy: -157.627 bonds (distance) P-C4' energy: -165.214 flat angles C4'-P-C4' energy: -174.839 flat angles P-C4'-P energy: -113.294 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: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2705.653432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.653432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.653432 (E_RNA) where: Base-Base interactions energy: -1873.194 where: short stacking energy: -808.825 Base-Backbone interact. energy: 2.384 local terms energy: -834.844107 where: bonds (distance) C4'-P energy: -138.114 bonds (distance) P-C4' energy: -153.465 flat angles C4'-P-C4' energy: -181.647 flat angles P-C4'-P energy: -128.914 tors. eta vs tors. theta energy: -232.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2516.371053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.371053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.371053 (E_RNA) where: Base-Base interactions energy: -1696.023 where: short stacking energy: -727.630 Base-Backbone interact. energy: -1.739 local terms energy: -818.609322 where: bonds (distance) C4'-P energy: -168.110 bonds (distance) P-C4' energy: -139.098 flat angles C4'-P-C4' energy: -176.156 flat angles P-C4'-P energy: -123.600 tors. eta vs tors. theta energy: -211.645 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: 5, replica: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2276.122356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.122356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.122356 (E_RNA) where: Base-Base interactions energy: -1517.426 where: short stacking energy: -648.308 Base-Backbone interact. energy: 0.011 local terms energy: -758.708060 where: bonds (distance) C4'-P energy: -137.015 bonds (distance) P-C4' energy: -144.891 flat angles C4'-P-C4' energy: -171.872 flat angles P-C4'-P energy: -111.105 tors. eta vs tors. theta energy: -193.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2182.380263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.380263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.380263 (E_RNA) where: Base-Base interactions energy: -1439.558 where: short stacking energy: -651.918 Base-Backbone interact. energy: 0.336 local terms energy: -743.158470 where: bonds (distance) C4'-P energy: -126.378 bonds (distance) P-C4' energy: -161.878 flat angles C4'-P-C4' energy: -154.264 flat angles P-C4'-P energy: -110.999 tors. eta vs tors. theta energy: -189.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1899.855165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.855165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.855165 (E_RNA) where: Base-Base interactions energy: -1263.224 where: short stacking energy: -541.292 Base-Backbone interact. energy: 0.806 local terms energy: -637.437419 where: bonds (distance) C4'-P energy: -135.887 bonds (distance) P-C4' energy: -126.302 flat angles C4'-P-C4' energy: -151.266 flat angles P-C4'-P energy: -89.114 tors. eta vs tors. theta energy: -134.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1513.551222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.551222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.551222 (E_RNA) where: Base-Base interactions energy: -965.863 where: short stacking energy: -441.723 Base-Backbone interact. energy: 3.311 local terms energy: -550.998954 where: bonds (distance) C4'-P energy: -116.936 bonds (distance) P-C4' energy: -150.150 flat angles C4'-P-C4' energy: -138.440 flat angles P-C4'-P energy: -71.621 tors. eta vs tors. theta energy: -73.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -894.396850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.396850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.396850 (E_RNA) where: Base-Base interactions energy: -401.161 where: short stacking energy: -243.740 Base-Backbone interact. energy: -3.320 local terms energy: -489.915900 where: bonds (distance) C4'-P energy: -145.587 bonds (distance) P-C4' energy: -145.804 flat angles C4'-P-C4' energy: -127.478 flat angles P-C4'-P energy: -69.448 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: 10, replica: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -764.041953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.041953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.041953 (E_RNA) where: Base-Base interactions energy: -344.477 where: short stacking energy: -213.681 Base-Backbone interact. energy: 3.632 local terms energy: -423.196500 where: bonds (distance) C4'-P energy: -118.337 bonds (distance) P-C4' energy: -149.616 flat angles C4'-P-C4' energy: -122.737 flat angles P-C4'-P energy: -62.511 tors. eta vs tors. theta energy: 30.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2884.244750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.244750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.244750 (E_RNA) where: Base-Base interactions energy: -2015.317 where: short stacking energy: -824.626 Base-Backbone interact. energy: -2.289 local terms energy: -866.638941 where: bonds (distance) C4'-P energy: -174.576 bonds (distance) P-C4' energy: -148.825 flat angles C4'-P-C4' energy: -194.291 flat angles P-C4'-P energy: -108.222 tors. eta vs tors. theta energy: -240.724 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: 2 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2810.185670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.185670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.185670 (E_RNA) where: Base-Base interactions energy: -1942.470 where: short stacking energy: -843.059 Base-Backbone interact. energy: -2.193 local terms energy: -865.522919 where: bonds (distance) C4'-P energy: -154.425 bonds (distance) P-C4' energy: -151.775 flat angles C4'-P-C4' energy: -181.891 flat angles P-C4'-P energy: -125.507 tors. eta vs tors. theta energy: -251.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2727.785818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.785818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.785818 (E_RNA) where: Base-Base interactions energy: -1914.284 where: short stacking energy: -747.949 Base-Backbone interact. energy: -0.929 local terms energy: -812.572590 where: bonds (distance) C4'-P energy: -139.688 bonds (distance) P-C4' energy: -168.905 flat angles C4'-P-C4' energy: -168.549 flat angles P-C4'-P energy: -107.473 tors. eta vs tors. theta energy: -227.958 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: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2535.783079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.783079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.783079 (E_RNA) where: Base-Base interactions energy: -1758.735 where: short stacking energy: -716.680 Base-Backbone interact. energy: -3.646 local terms energy: -773.401289 where: bonds (distance) C4'-P energy: -139.963 bonds (distance) P-C4' energy: -140.729 flat angles C4'-P-C4' energy: -171.543 flat angles P-C4'-P energy: -109.547 tors. eta vs tors. theta energy: -211.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2292.753667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.753667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.753667 (E_RNA) where: Base-Base interactions energy: -1520.341 where: short stacking energy: -671.090 Base-Backbone interact. energy: -0.712 local terms energy: -771.700314 where: bonds (distance) C4'-P energy: -141.389 bonds (distance) P-C4' energy: -134.112 flat angles C4'-P-C4' energy: -179.692 flat angles P-C4'-P energy: -116.793 tors. eta vs tors. theta energy: -199.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2203.392396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.392396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.392396 (E_RNA) where: Base-Base interactions energy: -1489.595 where: short stacking energy: -638.949 Base-Backbone interact. energy: 0.935 local terms energy: -714.731817 where: bonds (distance) C4'-P energy: -136.768 bonds (distance) P-C4' energy: -134.644 flat angles C4'-P-C4' energy: -164.079 flat angles P-C4'-P energy: -110.788 tors. eta vs tors. theta energy: -168.452 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: 8 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1898.676570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.676570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.676570 (E_RNA) where: Base-Base interactions energy: -1222.503 where: short stacking energy: -546.951 Base-Backbone interact. energy: 0.832 local terms energy: -677.005823 where: bonds (distance) C4'-P energy: -141.225 bonds (distance) P-C4' energy: -159.492 flat angles C4'-P-C4' energy: -143.917 flat angles P-C4'-P energy: -88.710 tors. eta vs tors. theta energy: -143.661 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: 8, replica: 4 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1502.435427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.435427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.435427 (E_RNA) where: Base-Base interactions energy: -938.858 where: short stacking energy: -418.814 Base-Backbone interact. energy: -0.837 local terms energy: -562.740142 where: bonds (distance) C4'-P energy: -119.624 bonds (distance) P-C4' energy: -145.984 flat angles C4'-P-C4' energy: -153.134 flat angles P-C4'-P energy: -87.027 tors. eta vs tors. theta energy: -56.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -876.119604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.119604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.119604 (E_RNA) where: Base-Base interactions energy: -399.065 where: short stacking energy: -257.242 Base-Backbone interact. energy: -3.883 local terms energy: -473.172394 where: bonds (distance) C4'-P energy: -130.085 bonds (distance) P-C4' energy: -139.957 flat angles C4'-P-C4' energy: -143.753 flat angles P-C4'-P energy: -52.617 tors. eta vs tors. theta energy: -6.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -764.037638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.037638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.037638 (E_RNA) where: Base-Base interactions energy: -350.577 where: short stacking energy: -209.460 Base-Backbone interact. energy: 1.591 local terms energy: -415.051630 where: bonds (distance) C4'-P energy: -128.232 bonds (distance) P-C4' energy: -139.085 flat angles C4'-P-C4' energy: -115.113 flat angles P-C4'-P energy: -55.977 tors. eta vs tors. theta energy: 23.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2904.656252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.656252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.656252 (E_RNA) where: Base-Base interactions energy: -1967.444 where: short stacking energy: -862.274 Base-Backbone interact. energy: -4.647 local terms energy: -932.565165 where: bonds (distance) C4'-P energy: -177.192 bonds (distance) P-C4' energy: -162.179 flat angles C4'-P-C4' energy: -210.544 flat angles P-C4'-P energy: -132.638 tors. eta vs tors. theta energy: -250.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2787.106016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.106016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.106016 (E_RNA) where: Base-Base interactions energy: -1892.979 where: short stacking energy: -813.263 Base-Backbone interact. energy: -3.109 local terms energy: -891.017900 where: bonds (distance) C4'-P energy: -167.083 bonds (distance) P-C4' energy: -161.489 flat angles C4'-P-C4' energy: -178.948 flat angles P-C4'-P energy: -139.351 tors. eta vs tors. theta energy: -244.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2695.060592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.060592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.060592 (E_RNA) where: Base-Base interactions energy: -1868.645 where: short stacking energy: -765.028 Base-Backbone interact. energy: -1.670 local terms energy: -824.744618 where: bonds (distance) C4'-P energy: -139.284 bonds (distance) P-C4' energy: -172.797 flat angles C4'-P-C4' energy: -181.462 flat angles P-C4'-P energy: -103.942 tors. eta vs tors. theta energy: -227.258 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: 7 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2570.566247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.566247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.566247 (E_RNA) where: Base-Base interactions energy: -1755.383 where: short stacking energy: -724.900 Base-Backbone interact. energy: -4.494 local terms energy: -810.689269 where: bonds (distance) C4'-P energy: -140.955 bonds (distance) P-C4' energy: -168.218 flat angles C4'-P-C4' energy: -184.639 flat angles P-C4'-P energy: -108.893 tors. eta vs tors. theta energy: -207.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2254.406242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.406242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.406242 (E_RNA) where: Base-Base interactions energy: -1504.266 where: short stacking energy: -642.547 Base-Backbone interact. energy: -0.346 local terms energy: -749.794904 where: bonds (distance) C4'-P energy: -132.354 bonds (distance) P-C4' energy: -148.335 flat angles C4'-P-C4' energy: -168.787 flat angles P-C4'-P energy: -117.912 tors. eta vs tors. theta energy: -182.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2220.798878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.798878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.798878 (E_RNA) where: Base-Base interactions energy: -1495.249 where: short stacking energy: -640.107 Base-Backbone interact. energy: -6.803 local terms energy: -718.747222 where: bonds (distance) C4'-P energy: -142.971 bonds (distance) P-C4' energy: -136.374 flat angles C4'-P-C4' energy: -175.979 flat angles P-C4'-P energy: -90.260 tors. eta vs tors. theta energy: -173.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1887.896046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.896046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.896046 (E_RNA) where: Base-Base interactions energy: -1269.994 where: short stacking energy: -532.688 Base-Backbone interact. energy: 4.680 local terms energy: -622.582517 where: bonds (distance) C4'-P energy: -116.855 bonds (distance) P-C4' energy: -145.956 flat angles C4'-P-C4' energy: -156.775 flat angles P-C4'-P energy: -74.499 tors. eta vs tors. theta energy: -128.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1510.484382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.484382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.484382 (E_RNA) where: Base-Base interactions energy: -930.155 where: short stacking energy: -437.063 Base-Backbone interact. energy: 1.771 local terms energy: -582.100587 where: bonds (distance) C4'-P energy: -133.157 bonds (distance) P-C4' energy: -146.597 flat angles C4'-P-C4' energy: -118.478 flat angles P-C4'-P energy: -108.354 tors. eta vs tors. theta energy: -75.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -896.002532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.002532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.002532 (E_RNA) where: Base-Base interactions energy: -429.598 where: short stacking energy: -233.278 Base-Backbone interact. energy: 4.091 local terms energy: -470.494857 where: bonds (distance) C4'-P energy: -138.386 bonds (distance) P-C4' energy: -139.745 flat angles C4'-P-C4' energy: -113.707 flat angles P-C4'-P energy: -90.212 tors. eta vs tors. theta energy: 11.555 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: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -746.478939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.478939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.478939 (E_RNA) where: Base-Base interactions energy: -311.878 where: short stacking energy: -210.693 Base-Backbone interact. energy: 1.031 local terms energy: -435.632349 where: bonds (distance) C4'-P energy: -143.475 bonds (distance) P-C4' energy: -133.153 flat angles C4'-P-C4' energy: -112.188 flat angles P-C4'-P energy: -76.994 tors. eta vs tors. theta energy: 30.177 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: 1, replica: 1 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2891.146862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.146862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.146862 (E_RNA) where: Base-Base interactions energy: -1991.927 where: short stacking energy: -848.043 Base-Backbone interact. energy: -3.451 local terms energy: -895.769726 where: bonds (distance) C4'-P energy: -158.151 bonds (distance) P-C4' energy: -165.784 flat angles C4'-P-C4' energy: -190.979 flat angles P-C4'-P energy: -129.055 tors. eta vs tors. theta energy: -251.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2754.191311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.191311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.191311 (E_RNA) where: Base-Base interactions energy: -1957.804 where: short stacking energy: -766.066 Base-Backbone interact. energy: -2.641 local terms energy: -793.746762 where: bonds (distance) C4'-P energy: -156.958 bonds (distance) P-C4' energy: -161.086 flat angles C4'-P-C4' energy: -168.368 flat angles P-C4'-P energy: -93.437 tors. eta vs tors. theta energy: -213.898 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: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2729.188676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.188676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.188676 (E_RNA) where: Base-Base interactions energy: -1866.622 where: short stacking energy: -815.855 Base-Backbone interact. energy: 0.279 local terms energy: -862.846041 where: bonds (distance) C4'-P energy: -169.075 bonds (distance) P-C4' energy: -147.337 flat angles C4'-P-C4' energy: -181.813 flat angles P-C4'-P energy: -121.299 tors. eta vs tors. theta energy: -243.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2557.008350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.008350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.008350 (E_RNA) where: Base-Base interactions energy: -1717.222 where: short stacking energy: -740.587 Base-Backbone interact. energy: -6.005 local terms energy: -833.781212 where: bonds (distance) C4'-P energy: -143.142 bonds (distance) P-C4' energy: -158.691 flat angles C4'-P-C4' energy: -186.519 flat angles P-C4'-P energy: -120.196 tors. eta vs tors. theta energy: -225.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2288.803806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.803806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.803806 (E_RNA) where: Base-Base interactions energy: -1519.344 where: short stacking energy: -650.795 Base-Backbone interact. energy: -1.802 local terms energy: -767.658353 where: bonds (distance) C4'-P energy: -133.710 bonds (distance) P-C4' energy: -149.719 flat angles C4'-P-C4' energy: -174.922 flat angles P-C4'-P energy: -121.066 tors. eta vs tors. theta energy: -188.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2225.361924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.361924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.361924 (E_RNA) where: Base-Base interactions energy: -1495.637 where: short stacking energy: -640.575 Base-Backbone interact. energy: -1.765 local terms energy: -727.960257 where: bonds (distance) C4'-P energy: -147.153 bonds (distance) P-C4' energy: -129.378 flat angles C4'-P-C4' energy: -163.592 flat angles P-C4'-P energy: -108.550 tors. eta vs tors. theta energy: -179.287 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: 8 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1922.927122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.927122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.927122 (E_RNA) where: Base-Base interactions energy: -1199.293 where: short stacking energy: -535.493 Base-Backbone interact. energy: -1.528 local terms energy: -722.106173 where: bonds (distance) C4'-P energy: -133.539 bonds (distance) P-C4' energy: -165.543 flat angles C4'-P-C4' energy: -155.722 flat angles P-C4'-P energy: -104.939 tors. eta vs tors. theta energy: -162.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1491.798251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.798251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.798251 (E_RNA) where: Base-Base interactions energy: -930.910 where: short stacking energy: -434.776 Base-Backbone interact. energy: 1.691 local terms energy: -562.578651 where: bonds (distance) C4'-P energy: -132.213 bonds (distance) P-C4' energy: -117.505 flat angles C4'-P-C4' energy: -143.378 flat angles P-C4'-P energy: -90.027 tors. eta vs tors. theta energy: -79.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -896.789151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.789151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.789151 (E_RNA) where: Base-Base interactions energy: -455.104 where: short stacking energy: -233.730 Base-Backbone interact. energy: 13.339 local terms energy: -455.024078 where: bonds (distance) C4'-P energy: -127.526 bonds (distance) P-C4' energy: -130.469 flat angles C4'-P-C4' energy: -132.332 flat angles P-C4'-P energy: -78.969 tors. eta vs tors. theta energy: 14.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -750.347959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.347959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.347959 (E_RNA) where: Base-Base interactions energy: -347.258 where: short stacking energy: -218.752 Base-Backbone interact. energy: 0.219 local terms energy: -403.309475 where: bonds (distance) C4'-P energy: -132.815 bonds (distance) P-C4' energy: -139.902 flat angles C4'-P-C4' energy: -112.272 flat angles P-C4'-P energy: -42.695 tors. eta vs tors. theta energy: 24.374 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: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2833.877610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.877610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.877610 (E_RNA) where: Base-Base interactions energy: -1952.435 where: short stacking energy: -796.508 Base-Backbone interact. energy: -1.171 local terms energy: -880.271892 where: bonds (distance) C4'-P energy: -164.093 bonds (distance) P-C4' energy: -164.295 flat angles C4'-P-C4' energy: -178.249 flat angles P-C4'-P energy: -134.110 tors. eta vs tors. theta energy: -239.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2798.474960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.474960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.474960 (E_RNA) where: Base-Base interactions energy: -1965.119 where: short stacking energy: -811.287 Base-Backbone interact. energy: -1.501 local terms energy: -831.854567 where: bonds (distance) C4'-P energy: -151.530 bonds (distance) P-C4' energy: -151.793 flat angles C4'-P-C4' energy: -177.191 flat angles P-C4'-P energy: -114.852 tors. eta vs tors. theta energy: -236.489 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: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2775.611549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.611549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.611549 (E_RNA) where: Base-Base interactions energy: -1925.047 where: short stacking energy: -812.083 Base-Backbone interact. energy: -6.052 local terms energy: -844.512607 where: bonds (distance) C4'-P energy: -160.741 bonds (distance) P-C4' energy: -154.550 flat angles C4'-P-C4' energy: -173.593 flat angles P-C4'-P energy: -109.421 tors. eta vs tors. theta energy: -246.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2542.365640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.365640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.365640 (E_RNA) where: Base-Base interactions energy: -1716.758 where: short stacking energy: -748.022 Base-Backbone interact. energy: -3.249 local terms energy: -822.358513 where: bonds (distance) C4'-P energy: -148.812 bonds (distance) P-C4' energy: -160.378 flat angles C4'-P-C4' energy: -186.676 flat angles P-C4'-P energy: -115.693 tors. eta vs tors. theta energy: -210.800 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: 5 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2298.278692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.278692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.278692 (E_RNA) where: Base-Base interactions energy: -1569.117 where: short stacking energy: -683.714 Base-Backbone interact. energy: -1.749 local terms energy: -727.413260 where: bonds (distance) C4'-P energy: -134.406 bonds (distance) P-C4' energy: -129.759 flat angles C4'-P-C4' energy: -167.303 flat angles P-C4'-P energy: -106.792 tors. eta vs tors. theta energy: -189.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2138.968801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.968801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.968801 (E_RNA) where: Base-Base interactions energy: -1421.674 where: short stacking energy: -607.387 Base-Backbone interact. energy: -1.920 local terms energy: -715.375544 where: bonds (distance) C4'-P energy: -140.450 bonds (distance) P-C4' energy: -121.273 flat angles C4'-P-C4' energy: -167.286 flat angles P-C4'-P energy: -110.996 tors. eta vs tors. theta energy: -175.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1861.451666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.451666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.451666 (E_RNA) where: Base-Base interactions energy: -1218.673 where: short stacking energy: -550.126 Base-Backbone interact. energy: -1.859 local terms energy: -640.919913 where: bonds (distance) C4'-P energy: -135.337 bonds (distance) P-C4' energy: -138.148 flat angles C4'-P-C4' energy: -152.525 flat angles P-C4'-P energy: -83.268 tors. eta vs tors. theta energy: -131.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1489.989326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.989326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.989326 (E_RNA) where: Base-Base interactions energy: -893.069 where: short stacking energy: -415.782 Base-Backbone interact. energy: -0.550 local terms energy: -596.370142 where: bonds (distance) C4'-P energy: -136.394 bonds (distance) P-C4' energy: -145.828 flat angles C4'-P-C4' energy: -139.952 flat angles P-C4'-P energy: -91.916 tors. eta vs tors. theta energy: -82.280 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: 6 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -890.826331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.826331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.826331 (E_RNA) where: Base-Base interactions energy: -416.020 where: short stacking energy: -268.787 Base-Backbone interact. energy: -0.983 local terms energy: -473.823161 where: bonds (distance) C4'-P energy: -133.443 bonds (distance) P-C4' energy: -137.983 flat angles C4'-P-C4' energy: -114.479 flat angles P-C4'-P energy: -70.281 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: 10, replica: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -781.710346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.710346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.710346 (E_RNA) where: Base-Base interactions energy: -388.295 where: short stacking energy: -195.473 Base-Backbone interact. energy: 1.643 local terms energy: -395.057963 where: bonds (distance) C4'-P energy: -125.274 bonds (distance) P-C4' energy: -123.422 flat angles C4'-P-C4' energy: -93.038 flat angles P-C4'-P energy: -74.836 tors. eta vs tors. theta energy: 21.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2862.817660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.817660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.817660 (E_RNA) where: Base-Base interactions energy: -1957.971 where: short stacking energy: -806.527 Base-Backbone interact. energy: -2.565 local terms energy: -902.280742 where: bonds (distance) C4'-P energy: -164.119 bonds (distance) P-C4' energy: -178.359 flat angles C4'-P-C4' energy: -186.299 flat angles P-C4'-P energy: -137.442 tors. eta vs tors. theta energy: -236.063 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: 2, replica: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2780.830313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.830313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.830313 (E_RNA) where: Base-Base interactions energy: -1900.416 where: short stacking energy: -815.357 Base-Backbone interact. energy: -0.325 local terms energy: -880.089164 where: bonds (distance) C4'-P energy: -150.956 bonds (distance) P-C4' energy: -166.315 flat angles C4'-P-C4' energy: -195.487 flat angles P-C4'-P energy: -116.445 tors. eta vs tors. theta energy: -250.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2731.918229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.918229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.918229 (E_RNA) where: Base-Base interactions energy: -1908.866 where: short stacking energy: -800.964 Base-Backbone interact. energy: -5.537 local terms energy: -817.515034 where: bonds (distance) C4'-P energy: -146.969 bonds (distance) P-C4' energy: -146.740 flat angles C4'-P-C4' energy: -178.929 flat angles P-C4'-P energy: -114.829 tors. eta vs tors. theta energy: -230.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2570.194285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.194285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.194285 (E_RNA) where: Base-Base interactions energy: -1721.720 where: short stacking energy: -751.301 Base-Backbone interact. energy: -2.168 local terms energy: -846.306853 where: bonds (distance) C4'-P energy: -160.670 bonds (distance) P-C4' energy: -162.146 flat angles C4'-P-C4' energy: -178.616 flat angles P-C4'-P energy: -132.164 tors. eta vs tors. theta energy: -212.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2271.832137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.832137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.832137 (E_RNA) where: Base-Base interactions energy: -1477.740 where: short stacking energy: -661.946 Base-Backbone interact. energy: -1.478 local terms energy: -792.614333 where: bonds (distance) C4'-P energy: -168.791 bonds (distance) P-C4' energy: -136.227 flat angles C4'-P-C4' energy: -176.818 flat angles P-C4'-P energy: -117.284 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: 6, replica: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2133.492931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.492931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.492931 (E_RNA) where: Base-Base interactions energy: -1415.021 where: short stacking energy: -582.195 Base-Backbone interact. energy: -1.229 local terms energy: -717.243751 where: bonds (distance) C4'-P energy: -144.009 bonds (distance) P-C4' energy: -156.551 flat angles C4'-P-C4' energy: -156.364 flat angles P-C4'-P energy: -103.859 tors. eta vs tors. theta energy: -156.461 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: 449 Temperature: 1.200000 Total energy: -1810.340024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.340024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.340024 (E_RNA) where: Base-Base interactions energy: -1164.231 where: short stacking energy: -514.197 Base-Backbone interact. energy: 2.257 local terms energy: -648.366706 where: bonds (distance) C4'-P energy: -124.111 bonds (distance) P-C4' energy: -162.249 flat angles C4'-P-C4' energy: -151.799 flat angles P-C4'-P energy: -83.515 tors. eta vs tors. theta energy: -126.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1479.712633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.712633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.712633 (E_RNA) where: Base-Base interactions energy: -934.593 where: short stacking energy: -440.650 Base-Backbone interact. energy: -1.569 local terms energy: -543.550640 where: bonds (distance) C4'-P energy: -119.997 bonds (distance) P-C4' energy: -145.608 flat angles C4'-P-C4' energy: -138.198 flat angles P-C4'-P energy: -57.696 tors. eta vs tors. theta energy: -82.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -853.184528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.184528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.184528 (E_RNA) where: Base-Base interactions energy: -388.546 where: short stacking energy: -200.908 Base-Backbone interact. energy: 1.446 local terms energy: -466.084642 where: bonds (distance) C4'-P energy: -138.607 bonds (distance) P-C4' energy: -135.490 flat angles C4'-P-C4' energy: -118.342 flat angles P-C4'-P energy: -71.393 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -771.322747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.322747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.322747 (E_RNA) where: Base-Base interactions energy: -378.823 where: short stacking energy: -212.579 Base-Backbone interact. energy: -3.426 local terms energy: -389.073301 where: bonds (distance) C4'-P energy: -128.235 bonds (distance) P-C4' energy: -143.285 flat angles C4'-P-C4' energy: -104.634 flat angles P-C4'-P energy: -44.567 tors. eta vs tors. theta energy: 31.647 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: 1 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2855.235494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.235494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.235494 (E_RNA) where: Base-Base interactions energy: -1956.848 where: short stacking energy: -828.521 Base-Backbone interact. energy: -0.978 local terms energy: -897.409196 where: bonds (distance) C4'-P energy: -154.364 bonds (distance) P-C4' energy: -180.126 flat angles C4'-P-C4' energy: -198.494 flat angles P-C4'-P energy: -118.872 tors. eta vs tors. theta energy: -245.554 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: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2786.785365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.785365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.785365 (E_RNA) where: Base-Base interactions energy: -1908.213 where: short stacking energy: -793.067 Base-Backbone interact. energy: -4.305 local terms energy: -874.267753 where: bonds (distance) C4'-P energy: -164.818 bonds (distance) P-C4' energy: -159.033 flat angles C4'-P-C4' energy: -183.479 flat angles P-C4'-P energy: -123.074 tors. eta vs tors. theta energy: -243.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2717.992363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.992363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.992363 (E_RNA) where: Base-Base interactions energy: -1910.924 where: short stacking energy: -785.107 Base-Backbone interact. energy: -1.354 local terms energy: -805.714135 where: bonds (distance) C4'-P energy: -140.687 bonds (distance) P-C4' energy: -155.136 flat angles C4'-P-C4' energy: -168.291 flat angles P-C4'-P energy: -110.822 tors. eta vs tors. theta energy: -230.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2545.526078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.526078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.526078 (E_RNA) where: Base-Base interactions energy: -1708.768 where: short stacking energy: -758.407 Base-Backbone interact. energy: 0.260 local terms energy: -837.018536 where: bonds (distance) C4'-P energy: -148.994 bonds (distance) P-C4' energy: -163.394 flat angles C4'-P-C4' energy: -174.689 flat angles P-C4'-P energy: -124.740 tors. eta vs tors. theta energy: -225.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2302.193985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.193985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.193985 (E_RNA) where: Base-Base interactions energy: -1527.890 where: short stacking energy: -682.673 Base-Backbone interact. energy: -3.141 local terms energy: -771.162753 where: bonds (distance) C4'-P energy: -132.860 bonds (distance) P-C4' energy: -155.707 flat angles C4'-P-C4' energy: -180.281 flat angles P-C4'-P energy: -113.636 tors. eta vs tors. theta energy: -188.678 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: 10 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2195.029464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.029464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.029464 (E_RNA) where: Base-Base interactions energy: -1435.836 where: short stacking energy: -640.323 Base-Backbone interact. energy: -2.419 local terms energy: -756.773839 where: bonds (distance) C4'-P energy: -157.960 bonds (distance) P-C4' energy: -156.128 flat angles C4'-P-C4' energy: -144.833 flat angles P-C4'-P energy: -117.789 tors. eta vs tors. theta energy: -180.063 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: 8 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1924.138771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.138771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.138771 (E_RNA) where: Base-Base interactions energy: -1242.098 where: short stacking energy: -596.583 Base-Backbone interact. energy: -2.503 local terms energy: -679.537899 where: bonds (distance) C4'-P energy: -144.306 bonds (distance) P-C4' energy: -148.065 flat angles C4'-P-C4' energy: -141.731 flat angles P-C4'-P energy: -97.135 tors. eta vs tors. theta energy: -148.301 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: 8, replica: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1462.590148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.590148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.590148 (E_RNA) where: Base-Base interactions energy: -917.714 where: short stacking energy: -413.101 Base-Backbone interact. energy: 7.483 local terms energy: -552.358465 where: bonds (distance) C4'-P energy: -130.673 bonds (distance) P-C4' energy: -158.575 flat angles C4'-P-C4' energy: -106.240 flat angles P-C4'-P energy: -98.060 tors. eta vs tors. theta energy: -58.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -906.129804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.129804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.129804 (E_RNA) where: Base-Base interactions energy: -444.544 where: short stacking energy: -257.910 Base-Backbone interact. energy: -0.262 local terms energy: -461.324246 where: bonds (distance) C4'-P energy: -116.688 bonds (distance) P-C4' energy: -146.096 flat angles C4'-P-C4' energy: -119.061 flat angles P-C4'-P energy: -76.013 tors. eta vs tors. theta energy: -3.467 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: 6 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -815.367012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.367012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.367012 (E_RNA) where: Base-Base interactions energy: -362.433 where: short stacking energy: -212.658 Base-Backbone interact. energy: -0.555 local terms energy: -452.378874 where: bonds (distance) C4'-P energy: -119.679 bonds (distance) P-C4' energy: -145.564 flat angles C4'-P-C4' energy: -123.920 flat angles P-C4'-P energy: -77.456 tors. eta vs tors. theta energy: 14.241 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: 1 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2870.789402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.789402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.789402 (E_RNA) where: Base-Base interactions energy: -1988.169 where: short stacking energy: -843.041 Base-Backbone interact. energy: 3.069 local terms energy: -885.689552 where: bonds (distance) C4'-P energy: -158.241 bonds (distance) P-C4' energy: -150.866 flat angles C4'-P-C4' energy: -196.935 flat angles P-C4'-P energy: -126.494 tors. eta vs tors. theta energy: -253.152 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: 2 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2807.845498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.845498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.845498 (E_RNA) where: Base-Base interactions energy: -1910.817 where: short stacking energy: -819.396 Base-Backbone interact. energy: -2.190 local terms energy: -894.838253 where: bonds (distance) C4'-P energy: -163.252 bonds (distance) P-C4' energy: -166.391 flat angles C4'-P-C4' energy: -191.029 flat angles P-C4'-P energy: -121.395 tors. eta vs tors. theta energy: -252.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2737.114476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.114476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.114476 (E_RNA) where: Base-Base interactions energy: -1929.505 where: short stacking energy: -765.715 Base-Backbone interact. energy: -2.394 local terms energy: -805.216063 where: bonds (distance) C4'-P energy: -141.475 bonds (distance) P-C4' energy: -164.202 flat angles C4'-P-C4' energy: -173.356 flat angles P-C4'-P energy: -113.565 tors. eta vs tors. theta energy: -212.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2474.550746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.550746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.550746 (E_RNA) where: Base-Base interactions energy: -1689.074 where: short stacking energy: -727.879 Base-Backbone interact. energy: -3.971 local terms energy: -781.506523 where: bonds (distance) C4'-P energy: -146.068 bonds (distance) P-C4' energy: -137.824 flat angles C4'-P-C4' energy: -177.205 flat angles P-C4'-P energy: -112.608 tors. eta vs tors. theta energy: -207.801 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: 5 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2359.582779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.582779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.582779 (E_RNA) where: Base-Base interactions energy: -1587.300 where: short stacking energy: -698.809 Base-Backbone interact. energy: 0.703 local terms energy: -772.985918 where: bonds (distance) C4'-P energy: -138.318 bonds (distance) P-C4' energy: -137.139 flat angles C4'-P-C4' energy: -166.682 flat angles P-C4'-P energy: -122.917 tors. eta vs tors. theta energy: -207.930 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: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2185.433051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.433051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.433051 (E_RNA) where: Base-Base interactions energy: -1458.605 where: short stacking energy: -621.070 Base-Backbone interact. energy: 8.879 local terms energy: -735.707388 where: bonds (distance) C4'-P energy: -139.982 bonds (distance) P-C4' energy: -145.919 flat angles C4'-P-C4' energy: -175.434 flat angles P-C4'-P energy: -101.470 tors. eta vs tors. theta energy: -172.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1920.306128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.306128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.306128 (E_RNA) where: Base-Base interactions energy: -1266.934 where: short stacking energy: -564.893 Base-Backbone interact. energy: -3.118 local terms energy: -650.254526 where: bonds (distance) C4'-P energy: -130.987 bonds (distance) P-C4' energy: -140.829 flat angles C4'-P-C4' energy: -153.074 flat angles P-C4'-P energy: -86.209 tors. eta vs tors. theta energy: -139.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1522.893225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.893225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.893225 (E_RNA) where: Base-Base interactions energy: -956.301 where: short stacking energy: -403.695 Base-Backbone interact. energy: -4.001 local terms energy: -562.591304 where: bonds (distance) C4'-P energy: -135.213 bonds (distance) P-C4' energy: -131.070 flat angles C4'-P-C4' energy: -138.059 flat angles P-C4'-P energy: -67.538 tors. eta vs tors. theta energy: -90.710 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: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -866.612380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.612380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.612380 (E_RNA) where: Base-Base interactions energy: -400.410 where: short stacking energy: -251.963 Base-Backbone interact. energy: -0.023 local terms energy: -466.180092 where: bonds (distance) C4'-P energy: -137.268 bonds (distance) P-C4' energy: -149.180 flat angles C4'-P-C4' energy: -93.287 flat angles P-C4'-P energy: -80.105 tors. eta vs tors. theta energy: -6.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -832.356400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.356400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.356400 (E_RNA) where: Base-Base interactions energy: -375.486 where: short stacking energy: -221.964 Base-Backbone interact. energy: -2.656 local terms energy: -454.214952 where: bonds (distance) C4'-P energy: -143.687 bonds (distance) P-C4' energy: -131.775 flat angles C4'-P-C4' energy: -117.345 flat angles P-C4'-P energy: -69.347 tors. eta vs tors. theta energy: 7.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2884.790470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.790470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.790470 (E_RNA) where: Base-Base interactions energy: -1985.341 where: short stacking energy: -820.744 Base-Backbone interact. energy: -1.789 local terms energy: -897.660188 where: bonds (distance) C4'-P energy: -166.214 bonds (distance) P-C4' energy: -164.720 flat angles C4'-P-C4' energy: -189.051 flat angles P-C4'-P energy: -134.050 tors. eta vs tors. theta energy: -243.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2814.118454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.118454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.118454 (E_RNA) where: Base-Base interactions energy: -1952.558 where: short stacking energy: -828.726 Base-Backbone interact. energy: -1.390 local terms energy: -860.170560 where: bonds (distance) C4'-P energy: -150.931 bonds (distance) P-C4' energy: -166.116 flat angles C4'-P-C4' energy: -180.441 flat angles P-C4'-P energy: -116.714 tors. eta vs tors. theta energy: -245.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2681.199304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.199304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.199304 (E_RNA) where: Base-Base interactions energy: -1856.273 where: short stacking energy: -756.171 Base-Backbone interact. energy: -6.528 local terms energy: -818.397670 where: bonds (distance) C4'-P energy: -136.235 bonds (distance) P-C4' energy: -157.721 flat angles C4'-P-C4' energy: -174.529 flat angles P-C4'-P energy: -134.904 tors. eta vs tors. theta energy: -215.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2490.795203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.795203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.795203 (E_RNA) where: Base-Base interactions energy: -1715.062 where: short stacking energy: -705.405 Base-Backbone interact. energy: -3.986 local terms energy: -771.746408 where: bonds (distance) C4'-P energy: -136.030 bonds (distance) P-C4' energy: -159.396 flat angles C4'-P-C4' energy: -152.724 flat angles P-C4'-P energy: -110.394 tors. eta vs tors. theta energy: -213.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2390.789915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.789915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.789915 (E_RNA) where: Base-Base interactions energy: -1591.481 where: short stacking energy: -699.028 Base-Backbone interact. energy: -2.362 local terms energy: -796.947327 where: bonds (distance) C4'-P energy: -147.880 bonds (distance) P-C4' energy: -161.887 flat angles C4'-P-C4' energy: -171.968 flat angles P-C4'-P energy: -111.887 tors. eta vs tors. theta energy: -203.325 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: 10 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2211.523350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.523350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.523350 (E_RNA) where: Base-Base interactions energy: -1492.796 where: short stacking energy: -637.878 Base-Backbone interact. energy: 1.079 local terms energy: -719.805882 where: bonds (distance) C4'-P energy: -130.275 bonds (distance) P-C4' energy: -157.582 flat angles C4'-P-C4' energy: -157.378 flat angles P-C4'-P energy: -88.284 tors. eta vs tors. theta energy: -186.287 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: 8 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1859.132767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.132767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.132767 (E_RNA) where: Base-Base interactions energy: -1228.801 where: short stacking energy: -554.264 Base-Backbone interact. energy: 0.983 local terms energy: -631.314679 where: bonds (distance) C4'-P energy: -114.343 bonds (distance) P-C4' energy: -153.261 flat angles C4'-P-C4' energy: -139.971 flat angles P-C4'-P energy: -85.704 tors. eta vs tors. theta energy: -138.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1506.513439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.513439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.513439 (E_RNA) where: Base-Base interactions energy: -919.501 where: short stacking energy: -408.146 Base-Backbone interact. energy: -4.014 local terms energy: -582.998695 where: bonds (distance) C4'-P energy: -140.962 bonds (distance) P-C4' energy: -148.761 flat angles C4'-P-C4' energy: -120.428 flat angles P-C4'-P energy: -99.565 tors. eta vs tors. theta energy: -73.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -826.443687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.443687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.443687 (E_RNA) where: Base-Base interactions energy: -386.697 where: short stacking energy: -240.228 Base-Backbone interact. energy: -1.891 local terms energy: -437.855052 where: bonds (distance) C4'-P energy: -127.142 bonds (distance) P-C4' energy: -137.004 flat angles C4'-P-C4' energy: -109.073 flat angles P-C4'-P energy: -76.955 tors. eta vs tors. theta energy: 12.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -772.091957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.091957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.091957 (E_RNA) where: Base-Base interactions energy: -347.163 where: short stacking energy: -204.295 Base-Backbone interact. energy: 3.020 local terms energy: -427.949275 where: bonds (distance) C4'-P energy: -130.361 bonds (distance) P-C4' energy: -151.995 flat angles C4'-P-C4' energy: -101.293 flat angles P-C4'-P energy: -56.700 tors. eta vs tors. theta energy: 12.400 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: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2879.145243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.145243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.145243 (E_RNA) where: Base-Base interactions energy: -1962.040 where: short stacking energy: -818.043 Base-Backbone interact. energy: -6.494 local terms energy: -910.611266 where: bonds (distance) C4'-P energy: -171.237 bonds (distance) P-C4' energy: -162.953 flat angles C4'-P-C4' energy: -199.513 flat angles P-C4'-P energy: -130.994 tors. eta vs tors. theta energy: -245.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2829.349074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.349074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.349074 (E_RNA) where: Base-Base interactions energy: -1958.646 where: short stacking energy: -831.030 Base-Backbone interact. energy: -3.242 local terms energy: -867.461080 where: bonds (distance) C4'-P energy: -156.307 bonds (distance) P-C4' energy: -178.011 flat angles C4'-P-C4' energy: -165.564 flat angles P-C4'-P energy: -116.541 tors. eta vs tors. theta energy: -251.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2700.667132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.667132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.667132 (E_RNA) where: Base-Base interactions energy: -1872.263 where: short stacking energy: -763.203 Base-Backbone interact. energy: -0.743 local terms energy: -827.661322 where: bonds (distance) C4'-P energy: -149.943 bonds (distance) P-C4' energy: -162.614 flat angles C4'-P-C4' energy: -180.272 flat angles P-C4'-P energy: -114.755 tors. eta vs tors. theta energy: -220.078 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: 453 Temperature: 1.050000 Total energy: -2546.877812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.877812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.877812 (E_RNA) where: Base-Base interactions energy: -1735.154 where: short stacking energy: -747.139 Base-Backbone interact. energy: -1.815 local terms energy: -809.908261 where: bonds (distance) C4'-P energy: -138.466 bonds (distance) P-C4' energy: -152.751 flat angles C4'-P-C4' energy: -178.477 flat angles P-C4'-P energy: -105.459 tors. eta vs tors. theta energy: -234.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2317.595611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.595611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.595611 (E_RNA) where: Base-Base interactions energy: -1551.084 where: short stacking energy: -686.784 Base-Backbone interact. energy: -0.412 local terms energy: -766.100165 where: bonds (distance) C4'-P energy: -148.986 bonds (distance) P-C4' energy: -137.769 flat angles C4'-P-C4' energy: -172.722 flat angles P-C4'-P energy: -113.852 tors. eta vs tors. theta energy: -192.770 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: 10 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2185.791424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.791424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.791424 (E_RNA) where: Base-Base interactions energy: -1478.331 where: short stacking energy: -626.871 Base-Backbone interact. energy: 2.335 local terms energy: -709.794988 where: bonds (distance) C4'-P energy: -151.611 bonds (distance) P-C4' energy: -136.765 flat angles C4'-P-C4' energy: -156.886 flat angles P-C4'-P energy: -90.041 tors. eta vs tors. theta energy: -174.492 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: 8 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1936.921599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.921599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.921599 (E_RNA) where: Base-Base interactions energy: -1264.681 where: short stacking energy: -570.643 Base-Backbone interact. energy: -0.842 local terms energy: -671.398524 where: bonds (distance) C4'-P energy: -139.916 bonds (distance) P-C4' energy: -147.328 flat angles C4'-P-C4' energy: -149.593 flat angles P-C4'-P energy: -91.562 tors. eta vs tors. theta energy: -143.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1422.256694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.256694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.256694 (E_RNA) where: Base-Base interactions energy: -851.337 where: short stacking energy: -399.506 Base-Backbone interact. energy: -0.537 local terms energy: -570.382935 where: bonds (distance) C4'-P energy: -136.464 bonds (distance) P-C4' energy: -127.764 flat angles C4'-P-C4' energy: -129.943 flat angles P-C4'-P energy: -94.746 tors. eta vs tors. theta energy: -81.465 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: 9 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -840.155153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.155153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.155153 (E_RNA) where: Base-Base interactions energy: -387.610 where: short stacking energy: -226.154 Base-Backbone interact. energy: 2.710 local terms energy: -455.255079 where: bonds (distance) C4'-P energy: -121.720 bonds (distance) P-C4' energy: -138.252 flat angles C4'-P-C4' energy: -112.427 flat angles P-C4'-P energy: -89.361 tors. eta vs tors. theta energy: 6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -818.004592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.004592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.004592 (E_RNA) where: Base-Base interactions energy: -402.396 where: short stacking energy: -227.296 Base-Backbone interact. energy: 5.635 local terms energy: -421.243294 where: bonds (distance) C4'-P energy: -140.301 bonds (distance) P-C4' energy: -141.009 flat angles C4'-P-C4' energy: -121.660 flat angles P-C4'-P energy: -42.509 tors. eta vs tors. theta energy: 24.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2903.465995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.465995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.465995 (E_RNA) where: Base-Base interactions energy: -1997.794 where: short stacking energy: -846.970 Base-Backbone interact. energy: -3.901 local terms energy: -901.771302 where: bonds (distance) C4'-P energy: -157.571 bonds (distance) P-C4' energy: -165.317 flat angles C4'-P-C4' energy: -201.379 flat angles P-C4'-P energy: -132.803 tors. eta vs tors. theta energy: -244.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2768.676412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.676412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.676412 (E_RNA) where: Base-Base interactions energy: -1913.140 where: short stacking energy: -825.892 Base-Backbone interact. energy: 0.195 local terms energy: -855.731777 where: bonds (distance) C4'-P energy: -155.235 bonds (distance) P-C4' energy: -159.217 flat angles C4'-P-C4' energy: -180.454 flat angles P-C4'-P energy: -124.526 tors. eta vs tors. theta energy: -236.300 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: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2674.244821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.244821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.244821 (E_RNA) where: Base-Base interactions energy: -1857.235 where: short stacking energy: -752.111 Base-Backbone interact. energy: -4.466 local terms energy: -812.543973 where: bonds (distance) C4'-P energy: -144.966 bonds (distance) P-C4' energy: -157.042 flat angles C4'-P-C4' energy: -163.108 flat angles P-C4'-P energy: -117.004 tors. eta vs tors. theta energy: -230.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2505.259472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.259472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.259472 (E_RNA) where: Base-Base interactions energy: -1717.327 where: short stacking energy: -742.131 Base-Backbone interact. energy: 0.379 local terms energy: -788.312062 where: bonds (distance) C4'-P energy: -152.420 bonds (distance) P-C4' energy: -156.924 flat angles C4'-P-C4' energy: -170.470 flat angles P-C4'-P energy: -93.262 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: 5, replica: 5 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2243.827812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.827812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.827812 (E_RNA) where: Base-Base interactions energy: -1477.413 where: short stacking energy: -635.034 Base-Backbone interact. energy: -3.018 local terms energy: -763.397318 where: bonds (distance) C4'-P energy: -141.961 bonds (distance) P-C4' energy: -161.955 flat angles C4'-P-C4' energy: -173.283 flat angles P-C4'-P energy: -109.732 tors. eta vs tors. theta energy: -176.467 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: 10 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2219.403392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.403392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.403392 (E_RNA) where: Base-Base interactions energy: -1495.809 where: short stacking energy: -649.481 Base-Backbone interact. energy: 0.984 local terms energy: -724.578591 where: bonds (distance) C4'-P energy: -147.944 bonds (distance) P-C4' energy: -123.846 flat angles C4'-P-C4' energy: -162.867 flat angles P-C4'-P energy: -104.455 tors. eta vs tors. theta energy: -185.466 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: 7, replica: 8 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1939.342538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.342538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.342538 (E_RNA) where: Base-Base interactions energy: -1286.441 where: short stacking energy: -579.241 Base-Backbone interact. energy: 5.094 local terms energy: -657.996024 where: bonds (distance) C4'-P energy: -132.822 bonds (distance) P-C4' energy: -132.034 flat angles C4'-P-C4' energy: -145.442 flat angles P-C4'-P energy: -89.404 tors. eta vs tors. theta energy: -158.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1488.328371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.328371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.328371 (E_RNA) where: Base-Base interactions energy: -952.512 where: short stacking energy: -413.275 Base-Backbone interact. energy: -0.011 local terms energy: -535.805502 where: bonds (distance) C4'-P energy: -135.855 bonds (distance) P-C4' energy: -134.570 flat angles C4'-P-C4' energy: -99.239 flat angles P-C4'-P energy: -80.382 tors. eta vs tors. theta energy: -85.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -832.550826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.550826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.550826 (E_RNA) where: Base-Base interactions energy: -358.520 where: short stacking energy: -213.754 Base-Backbone interact. energy: 0.944 local terms energy: -474.975040 where: bonds (distance) C4'-P energy: -136.650 bonds (distance) P-C4' energy: -138.346 flat angles C4'-P-C4' energy: -125.320 flat angles P-C4'-P energy: -83.046 tors. eta vs tors. theta energy: 8.387 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: 10, replica: 6 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -836.104739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.104739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.104739 (E_RNA) where: Base-Base interactions energy: -430.298 where: short stacking energy: -226.753 Base-Backbone interact. energy: 2.379 local terms energy: -408.186042 where: bonds (distance) C4'-P energy: -114.114 bonds (distance) P-C4' energy: -140.671 flat angles C4'-P-C4' energy: -96.488 flat angles P-C4'-P energy: -74.026 tors. eta vs tors. theta energy: 17.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2891.135519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.135519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.135519 (E_RNA) where: Base-Base interactions energy: -1977.708 where: short stacking energy: -810.041 Base-Backbone interact. energy: -5.953 local terms energy: -907.474504 where: bonds (distance) C4'-P energy: -177.083 bonds (distance) P-C4' energy: -160.142 flat angles C4'-P-C4' energy: -191.792 flat angles P-C4'-P energy: -133.139 tors. eta vs tors. theta energy: -245.320 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: 2, replica: 3 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2742.798727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.798727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.798727 (E_RNA) where: Base-Base interactions energy: -1911.436 where: short stacking energy: -787.226 Base-Backbone interact. energy: -3.159 local terms energy: -828.203817 where: bonds (distance) C4'-P energy: -139.804 bonds (distance) P-C4' energy: -169.247 flat angles C4'-P-C4' energy: -176.041 flat angles P-C4'-P energy: -111.027 tors. eta vs tors. theta energy: -232.085 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: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2728.154279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.154279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.154279 (E_RNA) where: Base-Base interactions energy: -1874.571 where: short stacking energy: -814.325 Base-Backbone interact. energy: -3.827 local terms energy: -849.756715 where: bonds (distance) C4'-P energy: -142.248 bonds (distance) P-C4' energy: -152.877 flat angles C4'-P-C4' energy: -180.711 flat angles P-C4'-P energy: -129.487 tors. eta vs tors. theta energy: -244.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2509.967637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.967637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.967637 (E_RNA) where: Base-Base interactions energy: -1712.471 where: short stacking energy: -761.213 Base-Backbone interact. energy: 1.576 local terms energy: -799.072183 where: bonds (distance) C4'-P energy: -143.538 bonds (distance) P-C4' energy: -160.593 flat angles C4'-P-C4' energy: -170.314 flat angles P-C4'-P energy: -113.466 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: 5 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2333.547734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.547734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.547734 (E_RNA) where: Base-Base interactions energy: -1542.285 where: short stacking energy: -679.509 Base-Backbone interact. energy: -2.123 local terms energy: -789.140145 where: bonds (distance) C4'-P energy: -146.078 bonds (distance) P-C4' energy: -151.011 flat angles C4'-P-C4' energy: -177.100 flat angles P-C4'-P energy: -116.823 tors. eta vs tors. theta energy: -198.128 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: 10 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2205.176342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.176342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.176342 (E_RNA) where: Base-Base interactions energy: -1499.038 where: short stacking energy: -631.665 Base-Backbone interact. energy: -2.952 local terms energy: -703.186287 where: bonds (distance) C4'-P energy: -108.912 bonds (distance) P-C4' energy: -144.834 flat angles C4'-P-C4' energy: -178.085 flat angles P-C4'-P energy: -104.520 tors. eta vs tors. theta energy: -166.835 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: 8 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1951.767040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.767040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.767040 (E_RNA) where: Base-Base interactions energy: -1270.295 where: short stacking energy: -564.958 Base-Backbone interact. energy: 0.868 local terms energy: -682.339866 where: bonds (distance) C4'-P energy: -138.543 bonds (distance) P-C4' energy: -163.370 flat angles C4'-P-C4' energy: -147.301 flat angles P-C4'-P energy: -90.347 tors. eta vs tors. theta energy: -142.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1501.232908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.232908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.232908 (E_RNA) where: Base-Base interactions energy: -913.453 where: short stacking energy: -396.156 Base-Backbone interact. energy: 2.617 local terms energy: -590.397732 where: bonds (distance) C4'-P energy: -139.347 bonds (distance) P-C4' energy: -147.360 flat angles C4'-P-C4' energy: -149.490 flat angles P-C4'-P energy: -90.241 tors. eta vs tors. theta energy: -63.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -814.347310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.347310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.347310 (E_RNA) where: Base-Base interactions energy: -399.257 where: short stacking energy: -244.086 Base-Backbone interact. energy: -0.934 local terms energy: -414.156228 where: bonds (distance) C4'-P energy: -123.747 bonds (distance) P-C4' energy: -131.936 flat angles C4'-P-C4' energy: -94.185 flat angles P-C4'-P energy: -71.672 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: 6 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -830.721994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.721994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.721994 (E_RNA) where: Base-Base interactions energy: -381.229 where: short stacking energy: -222.090 Base-Backbone interact. energy: -2.845 local terms energy: -446.647809 where: bonds (distance) C4'-P energy: -158.186 bonds (distance) P-C4' energy: -136.475 flat angles C4'-P-C4' energy: -118.185 flat angles P-C4'-P energy: -41.655 tors. eta vs tors. theta energy: 7.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2893.046787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.046787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.046787 (E_RNA) where: Base-Base interactions energy: -1990.192 where: short stacking energy: -830.973 Base-Backbone interact. energy: 3.258 local terms energy: -906.111925 where: bonds (distance) C4'-P energy: -158.871 bonds (distance) P-C4' energy: -184.929 flat angles C4'-P-C4' energy: -189.917 flat angles P-C4'-P energy: -126.494 tors. eta vs tors. theta energy: -245.901 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: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2781.944432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.944432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.944432 (E_RNA) where: Base-Base interactions energy: -1919.399 where: short stacking energy: -784.817 Base-Backbone interact. energy: 1.952 local terms energy: -864.497691 where: bonds (distance) C4'-P energy: -156.058 bonds (distance) P-C4' energy: -181.375 flat angles C4'-P-C4' energy: -199.624 flat angles P-C4'-P energy: -98.078 tors. eta vs tors. theta energy: -229.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2778.395968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.395968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.395968 (E_RNA) where: Base-Base interactions energy: -1899.535 where: short stacking energy: -805.186 Base-Backbone interact. energy: -0.150 local terms energy: -878.710966 where: bonds (distance) C4'-P energy: -169.762 bonds (distance) P-C4' energy: -173.733 flat angles C4'-P-C4' energy: -173.470 flat angles P-C4'-P energy: -119.801 tors. eta vs tors. theta energy: -241.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2478.574080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.574080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.574080 (E_RNA) where: Base-Base interactions energy: -1725.777 where: short stacking energy: -746.769 Base-Backbone interact. energy: 5.135 local terms energy: -757.932807 where: bonds (distance) C4'-P energy: -133.989 bonds (distance) P-C4' energy: -139.336 flat angles C4'-P-C4' energy: -165.623 flat angles P-C4'-P energy: -109.682 tors. eta vs tors. theta energy: -209.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2366.703041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.703041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.703041 (E_RNA) where: Base-Base interactions energy: -1597.967 where: short stacking energy: -710.235 Base-Backbone interact. energy: -0.754 local terms energy: -767.981709 where: bonds (distance) C4'-P energy: -140.351 bonds (distance) P-C4' energy: -156.921 flat angles C4'-P-C4' energy: -154.685 flat angles P-C4'-P energy: -106.028 tors. eta vs tors. theta energy: -209.997 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: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2232.321825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.321825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.321825 (E_RNA) where: Base-Base interactions energy: -1513.938 where: short stacking energy: -634.149 Base-Backbone interact. energy: 0.474 local terms energy: -718.858234 where: bonds (distance) C4'-P energy: -124.892 bonds (distance) P-C4' energy: -152.610 flat angles C4'-P-C4' energy: -162.893 flat angles P-C4'-P energy: -105.880 tors. eta vs tors. theta energy: -172.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1904.434123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.434123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.434123 (E_RNA) where: Base-Base interactions energy: -1214.880 where: short stacking energy: -546.178 Base-Backbone interact. energy: -2.266 local terms energy: -687.288319 where: bonds (distance) C4'-P energy: -152.861 bonds (distance) P-C4' energy: -150.619 flat angles C4'-P-C4' energy: -141.777 flat angles P-C4'-P energy: -102.344 tors. eta vs tors. theta energy: -139.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1502.049348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.049348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.049348 (E_RNA) where: Base-Base interactions energy: -960.846 where: short stacking energy: -454.586 Base-Backbone interact. energy: -2.338 local terms energy: -538.865755 where: bonds (distance) C4'-P energy: -118.230 bonds (distance) P-C4' energy: -140.721 flat angles C4'-P-C4' energy: -128.148 flat angles P-C4'-P energy: -77.155 tors. eta vs tors. theta energy: -74.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -933.854008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.854008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.854008 (E_RNA) where: Base-Base interactions energy: -471.387 where: short stacking energy: -253.468 Base-Backbone interact. energy: 0.015 local terms energy: -462.482707 where: bonds (distance) C4'-P energy: -115.090 bonds (distance) P-C4' energy: -135.650 flat angles C4'-P-C4' energy: -122.771 flat angles P-C4'-P energy: -83.231 tors. eta vs tors. theta energy: -5.741 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: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -731.720737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.720737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.720737 (E_RNA) where: Base-Base interactions energy: -326.618 where: short stacking energy: -226.580 Base-Backbone interact. energy: -0.373 local terms energy: -404.729553 where: bonds (distance) C4'-P energy: -110.553 bonds (distance) P-C4' energy: -136.423 flat angles C4'-P-C4' energy: -110.820 flat angles P-C4'-P energy: -60.272 tors. eta vs tors. theta energy: 13.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2888.170723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.170723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.170723 (E_RNA) where: Base-Base interactions energy: -2001.884 where: short stacking energy: -856.288 Base-Backbone interact. energy: -1.201 local terms energy: -885.085661 where: bonds (distance) C4'-P energy: -170.504 bonds (distance) P-C4' energy: -158.406 flat angles C4'-P-C4' energy: -197.423 flat angles P-C4'-P energy: -116.031 tors. eta vs tors. theta energy: -242.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2812.153456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.153456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.153456 (E_RNA) where: Base-Base interactions energy: -1943.968 where: short stacking energy: -804.283 Base-Backbone interact. energy: -0.166 local terms energy: -868.020101 where: bonds (distance) C4'-P energy: -161.294 bonds (distance) P-C4' energy: -161.103 flat angles C4'-P-C4' energy: -191.771 flat angles P-C4'-P energy: -118.422 tors. eta vs tors. theta energy: -235.431 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: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2715.661427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.661427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.661427 (E_RNA) where: Base-Base interactions energy: -1843.831 where: short stacking energy: -793.985 Base-Backbone interact. energy: 1.508 local terms energy: -873.339173 where: bonds (distance) C4'-P energy: -165.595 bonds (distance) P-C4' energy: -170.109 flat angles C4'-P-C4' energy: -186.673 flat angles P-C4'-P energy: -114.088 tors. eta vs tors. theta energy: -236.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2469.563093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.563093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.563093 (E_RNA) where: Base-Base interactions energy: -1697.277 where: short stacking energy: -740.208 Base-Backbone interact. energy: -3.635 local terms energy: -768.650576 where: bonds (distance) C4'-P energy: -131.314 bonds (distance) P-C4' energy: -156.476 flat angles C4'-P-C4' energy: -174.207 flat angles P-C4'-P energy: -107.551 tors. eta vs tors. theta energy: -199.102 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: 5 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2299.151678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.151678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.151678 (E_RNA) where: Base-Base interactions energy: -1578.104 where: short stacking energy: -714.762 Base-Backbone interact. energy: -1.700 local terms energy: -719.348137 where: bonds (distance) C4'-P energy: -146.101 bonds (distance) P-C4' energy: -134.693 flat angles C4'-P-C4' energy: -144.302 flat angles P-C4'-P energy: -97.618 tors. eta vs tors. theta energy: -196.632 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: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2206.665734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.665734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.665734 (E_RNA) where: Base-Base interactions energy: -1481.205 where: short stacking energy: -635.622 Base-Backbone interact. energy: -1.578 local terms energy: -723.883402 where: bonds (distance) C4'-P energy: -132.952 bonds (distance) P-C4' energy: -141.820 flat angles C4'-P-C4' energy: -171.579 flat angles P-C4'-P energy: -95.006 tors. eta vs tors. theta energy: -182.526 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: 8 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1908.579019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.579019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.579019 (E_RNA) where: Base-Base interactions energy: -1224.224 where: short stacking energy: -531.613 Base-Backbone interact. energy: -2.677 local terms energy: -681.678179 where: bonds (distance) C4'-P energy: -126.234 bonds (distance) P-C4' energy: -152.377 flat angles C4'-P-C4' energy: -157.103 flat angles P-C4'-P energy: -102.146 tors. eta vs tors. theta energy: -143.818 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: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1532.947168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.947168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.947168 (E_RNA) where: Base-Base interactions energy: -957.392 where: short stacking energy: -453.946 Base-Backbone interact. energy: 6.728 local terms energy: -582.283225 where: bonds (distance) C4'-P energy: -138.315 bonds (distance) P-C4' energy: -135.157 flat angles C4'-P-C4' energy: -130.022 flat angles P-C4'-P energy: -99.741 tors. eta vs tors. theta energy: -79.049 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: 6 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -944.098119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.098119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.098119 (E_RNA) where: Base-Base interactions energy: -468.518 where: short stacking energy: -266.182 Base-Backbone interact. energy: -0.406 local terms energy: -475.173555 where: bonds (distance) C4'-P energy: -127.560 bonds (distance) P-C4' energy: -159.365 flat angles C4'-P-C4' energy: -114.549 flat angles P-C4'-P energy: -51.645 tors. eta vs tors. theta energy: -22.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -773.530266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.530266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.530266 (E_RNA) where: Base-Base interactions energy: -355.997 where: short stacking energy: -217.085 Base-Backbone interact. energy: 7.466 local terms energy: -424.999405 where: bonds (distance) C4'-P energy: -112.394 bonds (distance) P-C4' energy: -142.289 flat angles C4'-P-C4' energy: -120.359 flat angles P-C4'-P energy: -48.475 tors. eta vs tors. theta energy: -1.483 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: 1 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2887.463117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.463117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.463117 (E_RNA) where: Base-Base interactions energy: -1978.877 where: short stacking energy: -837.472 Base-Backbone interact. energy: -4.218 local terms energy: -904.368114 where: bonds (distance) C4'-P energy: -157.814 bonds (distance) P-C4' energy: -172.105 flat angles C4'-P-C4' energy: -196.373 flat angles P-C4'-P energy: -133.451 tors. eta vs tors. theta energy: -244.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2765.275753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.275753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.275753 (E_RNA) where: Base-Base interactions energy: -1921.367 where: short stacking energy: -791.723 Base-Backbone interact. energy: 0.376 local terms energy: -844.284634 where: bonds (distance) C4'-P energy: -157.033 bonds (distance) P-C4' energy: -146.070 flat angles C4'-P-C4' energy: -182.351 flat angles P-C4'-P energy: -123.433 tors. eta vs tors. theta energy: -235.398 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: 458 Temperature: 1.000000 Total energy: -2707.798214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.798214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.798214 (E_RNA) where: Base-Base interactions energy: -1859.445 where: short stacking energy: -799.069 Base-Backbone interact. energy: 2.616 local terms energy: -850.969472 where: bonds (distance) C4'-P energy: -157.790 bonds (distance) P-C4' energy: -169.773 flat angles C4'-P-C4' energy: -178.248 flat angles P-C4'-P energy: -109.706 tors. eta vs tors. theta energy: -235.454 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: 7 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2498.308480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.308480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.308480 (E_RNA) where: Base-Base interactions energy: -1674.195 where: short stacking energy: -736.589 Base-Backbone interact. energy: -3.080 local terms energy: -821.033970 where: bonds (distance) C4'-P energy: -141.561 bonds (distance) P-C4' energy: -163.949 flat angles C4'-P-C4' energy: -181.761 flat angles P-C4'-P energy: -121.472 tors. eta vs tors. theta energy: -212.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2284.698689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.698689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.698689 (E_RNA) where: Base-Base interactions energy: -1527.482 where: short stacking energy: -663.198 Base-Backbone interact. energy: -1.388 local terms energy: -755.828302 where: bonds (distance) C4'-P energy: -137.682 bonds (distance) P-C4' energy: -157.692 flat angles C4'-P-C4' energy: -172.491 flat angles P-C4'-P energy: -114.102 tors. eta vs tors. theta energy: -173.862 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: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2206.355215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.355215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.355215 (E_RNA) where: Base-Base interactions energy: -1487.867 where: short stacking energy: -620.485 Base-Backbone interact. energy: -1.751 local terms energy: -716.737605 where: bonds (distance) C4'-P energy: -133.742 bonds (distance) P-C4' energy: -139.085 flat angles C4'-P-C4' energy: -162.933 flat angles P-C4'-P energy: -113.684 tors. eta vs tors. theta energy: -167.293 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: 8 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1856.404920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.404920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.404920 (E_RNA) where: Base-Base interactions energy: -1162.127 where: short stacking energy: -550.957 Base-Backbone interact. energy: -2.108 local terms energy: -692.170644 where: bonds (distance) C4'-P energy: -149.315 bonds (distance) P-C4' energy: -161.506 flat angles C4'-P-C4' energy: -153.494 flat angles P-C4'-P energy: -101.015 tors. eta vs tors. theta energy: -126.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1542.627581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.627581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.627581 (E_RNA) where: Base-Base interactions energy: -972.138 where: short stacking energy: -424.557 Base-Backbone interact. energy: -2.386 local terms energy: -568.104347 where: bonds (distance) C4'-P energy: -151.294 bonds (distance) P-C4' energy: -115.190 flat angles C4'-P-C4' energy: -129.951 flat angles P-C4'-P energy: -90.834 tors. eta vs tors. theta energy: -80.835 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: 6 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -968.392515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.392515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.392515 (E_RNA) where: Base-Base interactions energy: -490.492 where: short stacking energy: -265.867 Base-Backbone interact. energy: -1.145 local terms energy: -476.755610 where: bonds (distance) C4'-P energy: -138.726 bonds (distance) P-C4' energy: -135.769 flat angles C4'-P-C4' energy: -118.509 flat angles P-C4'-P energy: -75.428 tors. eta vs tors. theta energy: -8.325 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: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -822.592276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.592276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.592276 (E_RNA) where: Base-Base interactions energy: -401.794 where: short stacking energy: -223.811 Base-Backbone interact. energy: -4.912 local terms energy: -415.885724 where: bonds (distance) C4'-P energy: -122.921 bonds (distance) P-C4' energy: -119.534 flat angles C4'-P-C4' energy: -107.503 flat angles P-C4'-P energy: -74.180 tors. eta vs tors. theta energy: 8.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2861.379696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.379696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.379696 (E_RNA) where: Base-Base interactions energy: -1984.201 where: short stacking energy: -827.979 Base-Backbone interact. energy: -2.804 local terms energy: -874.375142 where: bonds (distance) C4'-P energy: -154.250 bonds (distance) P-C4' energy: -172.694 flat angles C4'-P-C4' energy: -186.261 flat angles P-C4'-P energy: -127.266 tors. eta vs tors. theta energy: -233.904 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: 3 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2788.313240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.313240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.313240 (E_RNA) where: Base-Base interactions energy: -1955.427 where: short stacking energy: -777.791 Base-Backbone interact. energy: -0.433 local terms energy: -832.453175 where: bonds (distance) C4'-P energy: -143.361 bonds (distance) P-C4' energy: -158.940 flat angles C4'-P-C4' energy: -187.738 flat angles P-C4'-P energy: -122.318 tors. eta vs tors. theta energy: -220.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2661.240751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.240751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.240751 (E_RNA) where: Base-Base interactions energy: -1806.422 where: short stacking energy: -758.340 Base-Backbone interact. energy: 2.363 local terms energy: -857.182611 where: bonds (distance) C4'-P energy: -162.037 bonds (distance) P-C4' energy: -165.694 flat angles C4'-P-C4' energy: -187.605 flat angles P-C4'-P energy: -125.891 tors. eta vs tors. theta energy: -215.956 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: 4, replica: 7 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2535.974093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.974093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.974093 (E_RNA) where: Base-Base interactions energy: -1733.444 where: short stacking energy: -753.099 Base-Backbone interact. energy: -0.453 local terms energy: -802.076804 where: bonds (distance) C4'-P energy: -119.227 bonds (distance) P-C4' energy: -159.189 flat angles C4'-P-C4' energy: -185.029 flat angles P-C4'-P energy: -125.201 tors. eta vs tors. theta energy: -213.430 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: 10 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2278.636217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.636217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.636217 (E_RNA) where: Base-Base interactions energy: -1519.469 where: short stacking energy: -690.477 Base-Backbone interact. energy: -0.313 local terms energy: -758.854202 where: bonds (distance) C4'-P energy: -140.562 bonds (distance) P-C4' energy: -151.653 flat angles C4'-P-C4' energy: -172.471 flat angles P-C4'-P energy: -105.505 tors. eta vs tors. theta energy: -188.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2179.568565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.568565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.568565 (E_RNA) where: Base-Base interactions energy: -1481.321 where: short stacking energy: -614.832 Base-Backbone interact. energy: 0.787 local terms energy: -699.034305 where: bonds (distance) C4'-P energy: -143.179 bonds (distance) P-C4' energy: -135.982 flat angles C4'-P-C4' energy: -165.006 flat angles P-C4'-P energy: -84.739 tors. eta vs tors. theta energy: -170.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1825.259564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.259564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.259564 (E_RNA) where: Base-Base interactions energy: -1192.048 where: short stacking energy: -534.932 Base-Backbone interact. energy: 5.060 local terms energy: -638.271760 where: bonds (distance) C4'-P energy: -116.790 bonds (distance) P-C4' energy: -147.676 flat angles C4'-P-C4' energy: -149.274 flat angles P-C4'-P energy: -97.378 tors. eta vs tors. theta energy: -127.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1555.262148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.262148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.262148 (E_RNA) where: Base-Base interactions energy: -948.854 where: short stacking energy: -427.648 Base-Backbone interact. energy: 0.870 local terms energy: -607.278787 where: bonds (distance) C4'-P energy: -138.971 bonds (distance) P-C4' energy: -152.993 flat angles C4'-P-C4' energy: -150.657 flat angles P-C4'-P energy: -90.353 tors. eta vs tors. theta energy: -74.304 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: 6 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -975.777384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.777384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.777384 (E_RNA) where: Base-Base interactions energy: -496.295 where: short stacking energy: -296.051 Base-Backbone interact. energy: -3.578 local terms energy: -475.904927 where: bonds (distance) C4'-P energy: -137.609 bonds (distance) P-C4' energy: -134.720 flat angles C4'-P-C4' energy: -129.083 flat angles P-C4'-P energy: -72.025 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -806.775665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.775665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.775665 (E_RNA) where: Base-Base interactions energy: -387.337 where: short stacking energy: -197.529 Base-Backbone interact. energy: 3.377 local terms energy: -422.815663 where: bonds (distance) C4'-P energy: -110.617 bonds (distance) P-C4' energy: -127.351 flat angles C4'-P-C4' energy: -123.932 flat angles P-C4'-P energy: -67.504 tors. eta vs tors. theta energy: 6.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2860.006368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.006368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.006368 (E_RNA) where: Base-Base interactions energy: -1987.748 where: short stacking energy: -840.438 Base-Backbone interact. energy: -2.008 local terms energy: -870.250785 where: bonds (distance) C4'-P energy: -163.736 bonds (distance) P-C4' energy: -163.579 flat angles C4'-P-C4' energy: -183.568 flat angles P-C4'-P energy: -121.136 tors. eta vs tors. theta energy: -238.232 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: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2788.319513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.319513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.319513 (E_RNA) where: Base-Base interactions energy: -1944.780 where: short stacking energy: -784.710 Base-Backbone interact. energy: -1.598 local terms energy: -841.941627 where: bonds (distance) C4'-P energy: -157.822 bonds (distance) P-C4' energy: -144.573 flat angles C4'-P-C4' energy: -187.433 flat angles P-C4'-P energy: -126.460 tors. eta vs tors. theta energy: -225.653 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: 460 Temperature: 1.000000 Total energy: -2700.512305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.512305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.512305 (E_RNA) where: Base-Base interactions energy: -1867.334 where: short stacking energy: -770.685 Base-Backbone interact. energy: -4.289 local terms energy: -828.888777 where: bonds (distance) C4'-P energy: -158.609 bonds (distance) P-C4' energy: -156.646 flat angles C4'-P-C4' energy: -180.802 flat angles P-C4'-P energy: -106.067 tors. eta vs tors. theta energy: -226.765 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: 7 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2529.209009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.209009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.209009 (E_RNA) where: Base-Base interactions energy: -1735.257 where: short stacking energy: -775.207 Base-Backbone interact. energy: -2.145 local terms energy: -791.806589 where: bonds (distance) C4'-P energy: -145.958 bonds (distance) P-C4' energy: -150.075 flat angles C4'-P-C4' energy: -169.632 flat angles P-C4'-P energy: -104.085 tors. eta vs tors. theta energy: -222.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2312.857387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.857387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.857387 (E_RNA) where: Base-Base interactions energy: -1536.358 where: short stacking energy: -685.747 Base-Backbone interact. energy: -3.056 local terms energy: -773.442581 where: bonds (distance) C4'-P energy: -137.149 bonds (distance) P-C4' energy: -142.095 flat angles C4'-P-C4' energy: -172.307 flat angles P-C4'-P energy: -127.262 tors. eta vs tors. theta energy: -194.629 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: 6, replica: 5 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2237.329391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.329391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.329391 (E_RNA) where: Base-Base interactions energy: -1522.995 where: short stacking energy: -654.041 Base-Backbone interact. energy: -1.970 local terms energy: -712.364751 where: bonds (distance) C4'-P energy: -140.759 bonds (distance) P-C4' energy: -142.434 flat angles C4'-P-C4' energy: -153.855 flat angles P-C4'-P energy: -79.237 tors. eta vs tors. theta energy: -196.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1894.327406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.327406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.327406 (E_RNA) where: Base-Base interactions energy: -1227.543 where: short stacking energy: -561.711 Base-Backbone interact. energy: 2.063 local terms energy: -668.847275 where: bonds (distance) C4'-P energy: -123.573 bonds (distance) P-C4' energy: -163.812 flat angles C4'-P-C4' energy: -154.525 flat angles P-C4'-P energy: -88.621 tors. eta vs tors. theta energy: -138.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1504.269316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.269316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.269316 (E_RNA) where: Base-Base interactions energy: -908.439 where: short stacking energy: -401.661 Base-Backbone interact. energy: -0.570 local terms energy: -595.261135 where: bonds (distance) C4'-P energy: -139.590 bonds (distance) P-C4' energy: -147.204 flat angles C4'-P-C4' energy: -136.111 flat angles P-C4'-P energy: -79.904 tors. eta vs tors. theta energy: -92.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1081.613000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.613000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.613000 (E_RNA) where: Base-Base interactions energy: -607.287 where: short stacking energy: -309.712 Base-Backbone interact. energy: 1.365 local terms energy: -475.691157 where: bonds (distance) C4'-P energy: -126.662 bonds (distance) P-C4' energy: -131.187 flat angles C4'-P-C4' energy: -120.876 flat angles P-C4'-P energy: -68.301 tors. eta vs tors. theta energy: -28.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -760.596097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.596097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.596097 (E_RNA) where: Base-Base interactions energy: -337.903 where: short stacking energy: -186.666 Base-Backbone interact. energy: -0.636 local terms energy: -422.057126 where: bonds (distance) C4'-P energy: -119.530 bonds (distance) P-C4' energy: -126.407 flat angles C4'-P-C4' energy: -98.827 flat angles P-C4'-P energy: -85.249 tors. eta vs tors. theta energy: 7.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2887.013203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.013203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.013203 (E_RNA) where: Base-Base interactions energy: -1983.318 where: short stacking energy: -832.631 Base-Backbone interact. energy: -2.870 local terms energy: -900.825345 where: bonds (distance) C4'-P energy: -166.751 bonds (distance) P-C4' energy: -155.383 flat angles C4'-P-C4' energy: -191.095 flat angles P-C4'-P energy: -139.294 tors. eta vs tors. theta energy: -248.302 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: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2776.535212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.535212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.535212 (E_RNA) where: Base-Base interactions energy: -1938.214 where: short stacking energy: -791.355 Base-Backbone interact. energy: -1.593 local terms energy: -836.728494 where: bonds (distance) C4'-P energy: -147.166 bonds (distance) P-C4' energy: -168.362 flat angles C4'-P-C4' energy: -186.395 flat angles P-C4'-P energy: -115.516 tors. eta vs tors. theta energy: -219.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2721.694703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.694703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.694703 (E_RNA) where: Base-Base interactions energy: -1868.295 where: short stacking energy: -800.514 Base-Backbone interact. energy: -2.686 local terms energy: -850.713972 where: bonds (distance) C4'-P energy: -149.543 bonds (distance) P-C4' energy: -162.183 flat angles C4'-P-C4' energy: -183.275 flat angles P-C4'-P energy: -113.919 tors. eta vs tors. theta energy: -241.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2535.292338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.292338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.292338 (E_RNA) where: Base-Base interactions energy: -1729.672 where: short stacking energy: -756.497 Base-Backbone interact. energy: -0.522 local terms energy: -805.098267 where: bonds (distance) C4'-P energy: -151.087 bonds (distance) P-C4' energy: -160.340 flat angles C4'-P-C4' energy: -173.773 flat angles P-C4'-P energy: -100.738 tors. eta vs tors. theta energy: -219.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2312.598652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.598652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.598652 (E_RNA) where: Base-Base interactions energy: -1541.034 where: short stacking energy: -666.301 Base-Backbone interact. energy: -3.944 local terms energy: -767.620342 where: bonds (distance) C4'-P energy: -144.583 bonds (distance) P-C4' energy: -149.786 flat angles C4'-P-C4' energy: -173.839 flat angles P-C4'-P energy: -109.977 tors. eta vs tors. theta energy: -189.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2254.031729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.031729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.031729 (E_RNA) where: Base-Base interactions energy: -1532.702 where: short stacking energy: -643.902 Base-Backbone interact. energy: -3.509 local terms energy: -717.820622 where: bonds (distance) C4'-P energy: -119.763 bonds (distance) P-C4' energy: -141.737 flat angles C4'-P-C4' energy: -150.356 flat angles P-C4'-P energy: -106.497 tors. eta vs tors. theta energy: -199.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1863.459205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.459205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.459205 (E_RNA) where: Base-Base interactions energy: -1190.709 where: short stacking energy: -542.121 Base-Backbone interact. energy: 0.679 local terms energy: -673.429523 where: bonds (distance) C4'-P energy: -132.197 bonds (distance) P-C4' energy: -138.538 flat angles C4'-P-C4' energy: -153.490 flat angles P-C4'-P energy: -101.222 tors. eta vs tors. theta energy: -147.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1557.066568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.066568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.066568 (E_RNA) where: Base-Base interactions energy: -995.188 where: short stacking energy: -437.616 Base-Backbone interact. energy: 0.212 local terms energy: -562.089820 where: bonds (distance) C4'-P energy: -138.273 bonds (distance) P-C4' energy: -140.267 flat angles C4'-P-C4' energy: -135.998 flat angles P-C4'-P energy: -79.705 tors. eta vs tors. theta energy: -67.847 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: 9, replica: 6 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1028.181001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.181001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.181001 (E_RNA) where: Base-Base interactions energy: -565.988 where: short stacking energy: -269.061 Base-Backbone interact. energy: 4.206 local terms energy: -466.399058 where: bonds (distance) C4'-P energy: -124.432 bonds (distance) P-C4' energy: -111.722 flat angles C4'-P-C4' energy: -129.023 flat angles P-C4'-P energy: -80.888 tors. eta vs tors. theta energy: -20.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -767.371513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.371513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.371513 (E_RNA) where: Base-Base interactions energy: -366.291 where: short stacking energy: -221.707 Base-Backbone interact. energy: 11.057 local terms energy: -412.138100 where: bonds (distance) C4'-P energy: -123.926 bonds (distance) P-C4' energy: -130.864 flat angles C4'-P-C4' energy: -110.215 flat angles P-C4'-P energy: -62.545 tors. eta vs tors. theta energy: 15.412 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: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2877.790145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.790145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.790145 (E_RNA) where: Base-Base interactions energy: -1989.220 where: short stacking energy: -819.051 Base-Backbone interact. energy: -5.719 local terms energy: -882.852022 where: bonds (distance) C4'-P energy: -166.215 bonds (distance) P-C4' energy: -167.704 flat angles C4'-P-C4' energy: -184.619 flat angles P-C4'-P energy: -121.786 tors. eta vs tors. theta energy: -242.528 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: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2836.945586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.945586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.945586 (E_RNA) where: Base-Base interactions energy: -1958.682 where: short stacking energy: -828.919 Base-Backbone interact. energy: -3.808 local terms energy: -874.455605 where: bonds (distance) C4'-P energy: -175.888 bonds (distance) P-C4' energy: -157.146 flat angles C4'-P-C4' energy: -190.475 flat angles P-C4'-P energy: -120.947 tors. eta vs tors. theta energy: -230.000 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: 3, replica: 2 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2710.705310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.705310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.705310 (E_RNA) where: Base-Base interactions energy: -1866.117 where: short stacking energy: -822.773 Base-Backbone interact. energy: -2.082 local terms energy: -842.506082 where: bonds (distance) C4'-P energy: -150.745 bonds (distance) P-C4' energy: -153.789 flat angles C4'-P-C4' energy: -174.941 flat angles P-C4'-P energy: -115.509 tors. eta vs tors. theta energy: -247.523 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: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2533.012383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.012383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.012383 (E_RNA) where: Base-Base interactions energy: -1714.035 where: short stacking energy: -756.905 Base-Backbone interact. energy: -0.268 local terms energy: -818.710091 where: bonds (distance) C4'-P energy: -148.615 bonds (distance) P-C4' energy: -158.650 flat angles C4'-P-C4' energy: -163.652 flat angles P-C4'-P energy: -114.173 tors. eta vs tors. theta energy: -233.621 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: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2335.586141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.586141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.586141 (E_RNA) where: Base-Base interactions energy: -1580.192 where: short stacking energy: -689.647 Base-Backbone interact. energy: 1.832 local terms energy: -757.225920 where: bonds (distance) C4'-P energy: -147.530 bonds (distance) P-C4' energy: -126.112 flat angles C4'-P-C4' energy: -171.778 flat angles P-C4'-P energy: -113.421 tors. eta vs tors. theta energy: -198.385 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: 6, replica: 5 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2178.141633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.141633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.141633 (E_RNA) where: Base-Base interactions energy: -1451.609 where: short stacking energy: -612.537 Base-Backbone interact. energy: -4.317 local terms energy: -722.215033 where: bonds (distance) C4'-P energy: -155.331 bonds (distance) P-C4' energy: -152.720 flat angles C4'-P-C4' energy: -142.630 flat angles P-C4'-P energy: -102.466 tors. eta vs tors. theta energy: -169.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1792.606728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.606728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.606728 (E_RNA) where: Base-Base interactions energy: -1112.487 where: short stacking energy: -484.487 Base-Backbone interact. energy: -5.061 local terms energy: -675.059647 where: bonds (distance) C4'-P energy: -147.673 bonds (distance) P-C4' energy: -157.773 flat angles C4'-P-C4' energy: -161.555 flat angles P-C4'-P energy: -86.393 tors. eta vs tors. theta energy: -121.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1549.288910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.288910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.288910 (E_RNA) where: Base-Base interactions energy: -973.875 where: short stacking energy: -463.888 Base-Backbone interact. energy: -2.229 local terms energy: -573.184969 where: bonds (distance) C4'-P energy: -137.064 bonds (distance) P-C4' energy: -141.682 flat angles C4'-P-C4' energy: -118.713 flat angles P-C4'-P energy: -82.050 tors. eta vs tors. theta energy: -93.676 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: 9, replica: 6 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1044.299025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.299025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.299025 (E_RNA) where: Base-Base interactions energy: -558.682 where: short stacking energy: -304.722 Base-Backbone interact. energy: 0.089 local terms energy: -485.706297 where: bonds (distance) C4'-P energy: -142.802 bonds (distance) P-C4' energy: -135.267 flat angles C4'-P-C4' energy: -114.955 flat angles P-C4'-P energy: -80.253 tors. eta vs tors. theta energy: -12.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -775.426247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.426247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.426247 (E_RNA) where: Base-Base interactions energy: -355.180 where: short stacking energy: -191.054 Base-Backbone interact. energy: -1.646 local terms energy: -418.599795 where: bonds (distance) C4'-P energy: -132.228 bonds (distance) P-C4' energy: -134.007 flat angles C4'-P-C4' energy: -115.217 flat angles P-C4'-P energy: -58.558 tors. eta vs tors. theta energy: 21.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2866.863519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.863519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.863519 (E_RNA) where: Base-Base interactions energy: -1965.963 where: short stacking energy: -813.801 Base-Backbone interact. energy: 3.396 local terms energy: -904.296704 where: bonds (distance) C4'-P energy: -167.967 bonds (distance) P-C4' energy: -162.985 flat angles C4'-P-C4' energy: -196.814 flat angles P-C4'-P energy: -123.842 tors. eta vs tors. theta energy: -252.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2750.056195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.056195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.056195 (E_RNA) where: Base-Base interactions energy: -1911.000 where: short stacking energy: -772.436 Base-Backbone interact. energy: -7.504 local terms energy: -831.552956 where: bonds (distance) C4'-P energy: -168.419 bonds (distance) P-C4' energy: -157.639 flat angles C4'-P-C4' energy: -170.640 flat angles P-C4'-P energy: -118.145 tors. eta vs tors. theta energy: -216.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2727.207536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.207536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.207536 (E_RNA) where: Base-Base interactions energy: -1857.553 where: short stacking energy: -798.256 Base-Backbone interact. energy: -2.012 local terms energy: -867.642321 where: bonds (distance) C4'-P energy: -155.946 bonds (distance) P-C4' energy: -174.078 flat angles C4'-P-C4' energy: -182.673 flat angles P-C4'-P energy: -115.286 tors. eta vs tors. theta energy: -239.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2485.360138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.360138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.360138 (E_RNA) where: Base-Base interactions energy: -1685.368 where: short stacking energy: -713.034 Base-Backbone interact. energy: -0.839 local terms energy: -799.153181 where: bonds (distance) C4'-P energy: -142.779 bonds (distance) P-C4' energy: -169.628 flat angles C4'-P-C4' energy: -177.952 flat angles P-C4'-P energy: -107.030 tors. eta vs tors. theta energy: -201.764 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: 10 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2289.680894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.680894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.680894 (E_RNA) where: Base-Base interactions energy: -1539.294 where: short stacking energy: -667.630 Base-Backbone interact. energy: 1.872 local terms energy: -752.259130 where: bonds (distance) C4'-P energy: -144.462 bonds (distance) P-C4' energy: -146.215 flat angles C4'-P-C4' energy: -172.995 flat angles P-C4'-P energy: -107.251 tors. eta vs tors. theta energy: -181.336 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: 6, replica: 5 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2168.567312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.567312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.567312 (E_RNA) where: Base-Base interactions energy: -1456.612 where: short stacking energy: -630.273 Base-Backbone interact. energy: -2.952 local terms energy: -709.003652 where: bonds (distance) C4'-P energy: -137.836 bonds (distance) P-C4' energy: -152.564 flat angles C4'-P-C4' energy: -157.258 flat angles P-C4'-P energy: -104.775 tors. eta vs tors. theta energy: -156.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1797.351658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.351658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.351658 (E_RNA) where: Base-Base interactions energy: -1148.111 where: short stacking energy: -493.493 Base-Backbone interact. energy: -1.729 local terms energy: -647.511823 where: bonds (distance) C4'-P energy: -133.461 bonds (distance) P-C4' energy: -139.887 flat angles C4'-P-C4' energy: -157.641 flat angles P-C4'-P energy: -74.227 tors. eta vs tors. theta energy: -142.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1592.091355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.091355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.091355 (E_RNA) where: Base-Base interactions energy: -987.572 where: short stacking energy: -426.841 Base-Backbone interact. energy: -1.191 local terms energy: -603.328915 where: bonds (distance) C4'-P energy: -137.551 bonds (distance) P-C4' energy: -151.210 flat angles C4'-P-C4' energy: -147.954 flat angles P-C4'-P energy: -94.114 tors. eta vs tors. theta energy: -72.501 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: 6 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1154.298103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.298103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.298103 (E_RNA) where: Base-Base interactions energy: -663.487 where: short stacking energy: -308.630 Base-Backbone interact. energy: 1.077 local terms energy: -491.887985 where: bonds (distance) C4'-P energy: -130.892 bonds (distance) P-C4' energy: -139.715 flat angles C4'-P-C4' energy: -118.410 flat angles P-C4'-P energy: -77.991 tors. eta vs tors. theta energy: -24.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -773.759644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.759644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.759644 (E_RNA) where: Base-Base interactions energy: -344.183 where: short stacking energy: -207.080 Base-Backbone interact. energy: 9.149 local terms energy: -438.725824 where: bonds (distance) C4'-P energy: -150.256 bonds (distance) P-C4' energy: -122.188 flat angles C4'-P-C4' energy: -115.185 flat angles P-C4'-P energy: -64.227 tors. eta vs tors. theta energy: 13.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2917.416861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.416861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.416861 (E_RNA) where: Base-Base interactions energy: -1987.916 where: short stacking energy: -838.971 Base-Backbone interact. energy: -6.184 local terms energy: -923.316782 where: bonds (distance) C4'-P energy: -160.565 bonds (distance) P-C4' energy: -179.150 flat angles C4'-P-C4' energy: -194.503 flat angles P-C4'-P energy: -140.397 tors. eta vs tors. theta energy: -248.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2792.347859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.347859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.347859 (E_RNA) where: Base-Base interactions energy: -1920.648 where: short stacking energy: -819.669 Base-Backbone interact. energy: -4.661 local terms energy: -867.038756 where: bonds (distance) C4'-P energy: -161.121 bonds (distance) P-C4' energy: -151.987 flat angles C4'-P-C4' energy: -185.914 flat angles P-C4'-P energy: -127.513 tors. eta vs tors. theta energy: -240.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2685.768132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.768132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.768132 (E_RNA) where: Base-Base interactions energy: -1874.806 where: short stacking energy: -789.833 Base-Backbone interact. energy: -2.537 local terms energy: -808.424897 where: bonds (distance) C4'-P energy: -150.500 bonds (distance) P-C4' energy: -144.286 flat angles C4'-P-C4' energy: -177.331 flat angles P-C4'-P energy: -99.101 tors. eta vs tors. theta energy: -237.206 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: 4, replica: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2485.117656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.117656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.117656 (E_RNA) where: Base-Base interactions energy: -1728.261 where: short stacking energy: -726.405 Base-Backbone interact. energy: -3.079 local terms energy: -753.776769 where: bonds (distance) C4'-P energy: -117.208 bonds (distance) P-C4' energy: -163.700 flat angles C4'-P-C4' energy: -170.642 flat angles P-C4'-P energy: -101.306 tors. eta vs tors. theta energy: -200.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2306.859458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.859458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.859458 (E_RNA) where: Base-Base interactions energy: -1538.621 where: short stacking energy: -715.402 Base-Backbone interact. energy: -4.776 local terms energy: -763.462295 where: bonds (distance) C4'-P energy: -132.914 bonds (distance) P-C4' energy: -130.554 flat angles C4'-P-C4' energy: -163.874 flat angles P-C4'-P energy: -125.862 tors. eta vs tors. theta energy: -210.259 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: 6, replica: 5 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2229.165616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.165616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.165616 (E_RNA) where: Base-Base interactions energy: -1507.881 where: short stacking energy: -642.546 Base-Backbone interact. energy: -1.357 local terms energy: -719.927645 where: bonds (distance) C4'-P energy: -141.084 bonds (distance) P-C4' energy: -139.226 flat angles C4'-P-C4' energy: -152.320 flat angles P-C4'-P energy: -106.678 tors. eta vs tors. theta energy: -180.619 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: 7, replica: 8 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1841.199200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.199200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.199200 (E_RNA) where: Base-Base interactions energy: -1202.855 where: short stacking energy: -535.515 Base-Backbone interact. energy: -0.881 local terms energy: -637.463795 where: bonds (distance) C4'-P energy: -133.112 bonds (distance) P-C4' energy: -145.884 flat angles C4'-P-C4' energy: -151.439 flat angles P-C4'-P energy: -83.595 tors. eta vs tors. theta energy: -123.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1579.831420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.831420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.831420 (E_RNA) where: Base-Base interactions energy: -996.107 where: short stacking energy: -465.600 Base-Backbone interact. energy: 3.325 local terms energy: -587.049839 where: bonds (distance) C4'-P energy: -139.134 bonds (distance) P-C4' energy: -157.358 flat angles C4'-P-C4' energy: -136.183 flat angles P-C4'-P energy: -83.603 tors. eta vs tors. theta energy: -70.773 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: 6 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1122.511947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.511947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.511947 (E_RNA) where: Base-Base interactions energy: -593.184 where: short stacking energy: -309.867 Base-Backbone interact. energy: 2.264 local terms energy: -531.591269 where: bonds (distance) C4'-P energy: -124.537 bonds (distance) P-C4' energy: -165.945 flat angles C4'-P-C4' energy: -116.155 flat angles P-C4'-P energy: -85.595 tors. eta vs tors. theta energy: -39.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -715.123398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.123398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.123398 (E_RNA) where: Base-Base interactions energy: -312.050 where: short stacking energy: -180.924 Base-Backbone interact. energy: 5.055 local terms energy: -408.128756 where: bonds (distance) C4'-P energy: -131.710 bonds (distance) P-C4' energy: -126.176 flat angles C4'-P-C4' energy: -107.814 flat angles P-C4'-P energy: -83.222 tors. eta vs tors. theta energy: 40.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2905.699145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.699145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.699145 (E_RNA) where: Base-Base interactions energy: -2021.014 where: short stacking energy: -835.681 Base-Backbone interact. energy: -2.970 local terms energy: -881.715399 where: bonds (distance) C4'-P energy: -158.016 bonds (distance) P-C4' energy: -167.787 flat angles C4'-P-C4' energy: -191.233 flat angles P-C4'-P energy: -136.508 tors. eta vs tors. theta energy: -228.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2773.104391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.104391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.104391 (E_RNA) where: Base-Base interactions energy: -1911.628 where: short stacking energy: -810.313 Base-Backbone interact. energy: -7.077 local terms energy: -854.399551 where: bonds (distance) C4'-P energy: -157.797 bonds (distance) P-C4' energy: -161.624 flat angles C4'-P-C4' energy: -168.519 flat angles P-C4'-P energy: -125.134 tors. eta vs tors. theta energy: -241.326 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: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2703.733480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.733480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.733480 (E_RNA) where: Base-Base interactions energy: -1875.182 where: short stacking energy: -798.316 Base-Backbone interact. energy: 4.813 local terms energy: -833.364936 where: bonds (distance) C4'-P energy: -154.671 bonds (distance) P-C4' energy: -148.273 flat angles C4'-P-C4' energy: -172.948 flat angles P-C4'-P energy: -120.080 tors. eta vs tors. theta energy: -237.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2449.365549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.365549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.365549 (E_RNA) where: Base-Base interactions energy: -1647.007 where: short stacking energy: -707.783 Base-Backbone interact. energy: -2.140 local terms energy: -800.219031 where: bonds (distance) C4'-P energy: -162.141 bonds (distance) P-C4' energy: -159.633 flat angles C4'-P-C4' energy: -171.735 flat angles P-C4'-P energy: -112.635 tors. eta vs tors. theta energy: -194.074 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: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2318.444792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.444792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.444792 (E_RNA) where: Base-Base interactions energy: -1589.366 where: short stacking energy: -684.517 Base-Backbone interact. energy: 1.567 local terms energy: -730.645291 where: bonds (distance) C4'-P energy: -134.195 bonds (distance) P-C4' energy: -150.136 flat angles C4'-P-C4' energy: -154.156 flat angles P-C4'-P energy: -97.614 tors. eta vs tors. theta energy: -194.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2222.974593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.974593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.974593 (E_RNA) where: Base-Base interactions energy: -1512.155 where: short stacking energy: -623.812 Base-Backbone interact. energy: 3.804 local terms energy: -714.623800 where: bonds (distance) C4'-P energy: -140.451 bonds (distance) P-C4' energy: -146.342 flat angles C4'-P-C4' energy: -150.565 flat angles P-C4'-P energy: -106.142 tors. eta vs tors. theta energy: -171.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1820.055574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.055574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.055574 (E_RNA) where: Base-Base interactions energy: -1161.375 where: short stacking energy: -530.281 Base-Backbone interact. energy: -1.331 local terms energy: -657.349960 where: bonds (distance) C4'-P energy: -113.149 bonds (distance) P-C4' energy: -166.322 flat angles C4'-P-C4' energy: -151.164 flat angles P-C4'-P energy: -93.742 tors. eta vs tors. theta energy: -132.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1523.466236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.466236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.466236 (E_RNA) where: Base-Base interactions energy: -951.966 where: short stacking energy: -427.034 Base-Backbone interact. energy: -3.498 local terms energy: -568.002449 where: bonds (distance) C4'-P energy: -114.095 bonds (distance) P-C4' energy: -150.321 flat angles C4'-P-C4' energy: -127.893 flat angles P-C4'-P energy: -86.728 tors. eta vs tors. theta energy: -88.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1119.244625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.244625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.244625 (E_RNA) where: Base-Base interactions energy: -618.128 where: short stacking energy: -303.526 Base-Backbone interact. energy: -0.307 local terms energy: -500.809924 where: bonds (distance) C4'-P energy: -149.580 bonds (distance) P-C4' energy: -136.322 flat angles C4'-P-C4' energy: -129.112 flat angles P-C4'-P energy: -69.855 tors. eta vs tors. theta energy: -15.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -733.021812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.021812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.021812 (E_RNA) where: Base-Base interactions energy: -297.883 where: short stacking energy: -191.283 Base-Backbone interact. energy: 0.830 local terms energy: -435.969540 where: bonds (distance) C4'-P energy: -139.423 bonds (distance) P-C4' energy: -133.459 flat angles C4'-P-C4' energy: -100.850 flat angles P-C4'-P energy: -78.833 tors. eta vs tors. theta energy: 16.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2857.113034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.113034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.113034 (E_RNA) where: Base-Base interactions energy: -1975.090 where: short stacking energy: -823.361 Base-Backbone interact. energy: 0.262 local terms energy: -882.285120 where: bonds (distance) C4'-P energy: -165.702 bonds (distance) P-C4' energy: -160.820 flat angles C4'-P-C4' energy: -193.756 flat angles P-C4'-P energy: -119.948 tors. eta vs tors. theta energy: -242.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2802.978099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.978099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.978099 (E_RNA) where: Base-Base interactions energy: -1949.580 where: short stacking energy: -839.088 Base-Backbone interact. energy: -7.728 local terms energy: -845.669848 where: bonds (distance) C4'-P energy: -157.612 bonds (distance) P-C4' energy: -165.387 flat angles C4'-P-C4' energy: -180.622 flat angles P-C4'-P energy: -109.401 tors. eta vs tors. theta energy: -232.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2691.116279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.116279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.116279 (E_RNA) where: Base-Base interactions energy: -1817.505 where: short stacking energy: -788.896 Base-Backbone interact. energy: -0.131 local terms energy: -873.479623 where: bonds (distance) C4'-P energy: -149.726 bonds (distance) P-C4' energy: -168.300 flat angles C4'-P-C4' energy: -186.102 flat angles P-C4'-P energy: -133.042 tors. eta vs tors. theta energy: -236.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2534.185881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.185881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.185881 (E_RNA) where: Base-Base interactions energy: -1722.799 where: short stacking energy: -760.778 Base-Backbone interact. energy: 3.529 local terms energy: -814.916024 where: bonds (distance) C4'-P energy: -146.863 bonds (distance) P-C4' energy: -158.363 flat angles C4'-P-C4' energy: -170.292 flat angles P-C4'-P energy: -121.210 tors. eta vs tors. theta energy: -218.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2316.300289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.300289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.300289 (E_RNA) where: Base-Base interactions energy: -1557.025 where: short stacking energy: -661.558 Base-Backbone interact. energy: 3.111 local terms energy: -762.386046 where: bonds (distance) C4'-P energy: -135.989 bonds (distance) P-C4' energy: -160.770 flat angles C4'-P-C4' energy: -176.792 flat angles P-C4'-P energy: -99.154 tors. eta vs tors. theta energy: -189.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2177.503958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.503958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.503958 (E_RNA) where: Base-Base interactions energy: -1491.955 where: short stacking energy: -608.531 Base-Backbone interact. energy: -1.886 local terms energy: -683.663287 where: bonds (distance) C4'-P energy: -121.924 bonds (distance) P-C4' energy: -148.775 flat angles C4'-P-C4' energy: -151.652 flat angles P-C4'-P energy: -98.969 tors. eta vs tors. theta energy: -162.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1830.191745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.191745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.191745 (E_RNA) where: Base-Base interactions energy: -1181.999 where: short stacking energy: -529.355 Base-Backbone interact. energy: -0.260 local terms energy: -647.932790 where: bonds (distance) C4'-P energy: -130.778 bonds (distance) P-C4' energy: -131.856 flat angles C4'-P-C4' energy: -143.624 flat angles P-C4'-P energy: -106.004 tors. eta vs tors. theta energy: -135.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1480.309870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.309870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.309870 (E_RNA) where: Base-Base interactions energy: -882.718 where: short stacking energy: -395.645 Base-Backbone interact. energy: -0.775 local terms energy: -596.816096 where: bonds (distance) C4'-P energy: -144.566 bonds (distance) P-C4' energy: -166.308 flat angles C4'-P-C4' energy: -130.499 flat angles P-C4'-P energy: -100.589 tors. eta vs tors. theta energy: -54.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1068.268668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.268668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.268668 (E_RNA) where: Base-Base interactions energy: -608.700 where: short stacking energy: -301.312 Base-Backbone interact. energy: -0.440 local terms energy: -459.128225 where: bonds (distance) C4'-P energy: -143.368 bonds (distance) P-C4' energy: -136.344 flat angles C4'-P-C4' energy: -105.594 flat angles P-C4'-P energy: -67.830 tors. eta vs tors. theta energy: -5.992 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: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -717.512713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.512713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.512713 (E_RNA) where: Base-Base interactions energy: -290.973 where: short stacking energy: -195.456 Base-Backbone interact. energy: -1.053 local terms energy: -425.486885 where: bonds (distance) C4'-P energy: -145.853 bonds (distance) P-C4' energy: -149.701 flat angles C4'-P-C4' energy: -116.979 flat angles P-C4'-P energy: -42.115 tors. eta vs tors. theta energy: 29.160 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: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2852.903434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.903434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.903434 (E_RNA) where: Base-Base interactions energy: -1980.964 where: short stacking energy: -822.919 Base-Backbone interact. energy: -3.736 local terms energy: -868.203075 where: bonds (distance) C4'-P energy: -147.918 bonds (distance) P-C4' energy: -180.432 flat angles C4'-P-C4' energy: -184.447 flat angles P-C4'-P energy: -119.658 tors. eta vs tors. theta energy: -235.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2781.277171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.277171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.277171 (E_RNA) where: Base-Base interactions energy: -1930.036 where: short stacking energy: -810.607 Base-Backbone interact. energy: -4.205 local terms energy: -847.036425 where: bonds (distance) C4'-P energy: -141.254 bonds (distance) P-C4' energy: -169.410 flat angles C4'-P-C4' energy: -195.398 flat angles P-C4'-P energy: -115.201 tors. eta vs tors. theta energy: -225.774 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: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2697.634644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.634644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.634644 (E_RNA) where: Base-Base interactions energy: -1852.447 where: short stacking energy: -777.722 Base-Backbone interact. energy: -1.849 local terms energy: -843.338576 where: bonds (distance) C4'-P energy: -154.322 bonds (distance) P-C4' energy: -161.805 flat angles C4'-P-C4' energy: -179.299 flat angles P-C4'-P energy: -107.018 tors. eta vs tors. theta energy: -240.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2510.235365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.235365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.235365 (E_RNA) where: Base-Base interactions energy: -1718.712 where: short stacking energy: -746.591 Base-Backbone interact. energy: -2.534 local terms energy: -788.989430 where: bonds (distance) C4'-P energy: -122.104 bonds (distance) P-C4' energy: -153.665 flat angles C4'-P-C4' energy: -181.662 flat angles P-C4'-P energy: -114.835 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: 5, replica: 10 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2280.766131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.766131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.766131 (E_RNA) where: Base-Base interactions energy: -1529.610 where: short stacking energy: -678.254 Base-Backbone interact. energy: -4.731 local terms energy: -746.425944 where: bonds (distance) C4'-P energy: -143.574 bonds (distance) P-C4' energy: -152.665 flat angles C4'-P-C4' energy: -164.606 flat angles P-C4'-P energy: -104.786 tors. eta vs tors. theta energy: -180.796 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: 467 Temperature: 1.150000 Total energy: -2137.072039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.072039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.072039 (E_RNA) where: Base-Base interactions energy: -1431.906 where: short stacking energy: -568.437 Base-Backbone interact. energy: 1.330 local terms energy: -706.496538 where: bonds (distance) C4'-P energy: -138.463 bonds (distance) P-C4' energy: -139.312 flat angles C4'-P-C4' energy: -169.150 flat angles P-C4'-P energy: -115.938 tors. eta vs tors. theta energy: -143.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1819.177757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.177757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.177757 (E_RNA) where: Base-Base interactions energy: -1163.866 where: short stacking energy: -503.134 Base-Backbone interact. energy: 1.579 local terms energy: -656.890553 where: bonds (distance) C4'-P energy: -138.239 bonds (distance) P-C4' energy: -161.075 flat angles C4'-P-C4' energy: -142.537 flat angles P-C4'-P energy: -86.467 tors. eta vs tors. theta energy: -128.574 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: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1462.569977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.569977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.569977 (E_RNA) where: Base-Base interactions energy: -894.351 where: short stacking energy: -420.535 Base-Backbone interact. energy: -1.730 local terms energy: -566.489027 where: bonds (distance) C4'-P energy: -140.710 bonds (distance) P-C4' energy: -123.266 flat angles C4'-P-C4' energy: -131.789 flat angles P-C4'-P energy: -81.863 tors. eta vs tors. theta energy: -88.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1042.090080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.090080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.090080 (E_RNA) where: Base-Base interactions energy: -567.999 where: short stacking energy: -304.820 Base-Backbone interact. energy: 7.405 local terms energy: -481.495678 where: bonds (distance) C4'-P energy: -143.942 bonds (distance) P-C4' energy: -142.459 flat angles C4'-P-C4' energy: -118.294 flat angles P-C4'-P energy: -72.645 tors. eta vs tors. theta energy: -4.156 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: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -745.026593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.026593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.026593 (E_RNA) where: Base-Base interactions energy: -330.469 where: short stacking energy: -203.254 Base-Backbone interact. energy: 1.164 local terms energy: -415.721781 where: bonds (distance) C4'-P energy: -133.053 bonds (distance) P-C4' energy: -125.709 flat angles C4'-P-C4' energy: -101.897 flat angles P-C4'-P energy: -81.444 tors. eta vs tors. theta energy: 26.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2885.307983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.307983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.307983 (E_RNA) where: Base-Base interactions energy: -1999.947 where: short stacking energy: -823.609 Base-Backbone interact. energy: -5.380 local terms energy: -879.981447 where: bonds (distance) C4'-P energy: -151.604 bonds (distance) P-C4' energy: -171.853 flat angles C4'-P-C4' energy: -197.610 flat angles P-C4'-P energy: -118.935 tors. eta vs tors. theta energy: -239.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2796.600058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.600058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.600058 (E_RNA) where: Base-Base interactions energy: -1921.424 where: short stacking energy: -780.757 Base-Backbone interact. energy: -6.543 local terms energy: -868.633105 where: bonds (distance) C4'-P energy: -164.474 bonds (distance) P-C4' energy: -166.681 flat angles C4'-P-C4' energy: -184.851 flat angles P-C4'-P energy: -134.763 tors. eta vs tors. theta energy: -217.864 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: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2700.503992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.503992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.503992 (E_RNA) where: Base-Base interactions energy: -1853.520 where: short stacking energy: -795.303 Base-Backbone interact. energy: -1.827 local terms energy: -845.157174 where: bonds (distance) C4'-P energy: -164.931 bonds (distance) P-C4' energy: -151.278 flat angles C4'-P-C4' energy: -172.759 flat angles P-C4'-P energy: -120.928 tors. eta vs tors. theta energy: -235.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2507.962988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.962988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.962988 (E_RNA) where: Base-Base interactions energy: -1684.041 where: short stacking energy: -750.038 Base-Backbone interact. energy: -1.323 local terms energy: -822.598972 where: bonds (distance) C4'-P energy: -161.786 bonds (distance) P-C4' energy: -156.734 flat angles C4'-P-C4' energy: -176.123 flat angles P-C4'-P energy: -109.723 tors. eta vs tors. theta energy: -218.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2264.391554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.391554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.391554 (E_RNA) where: Base-Base interactions energy: -1519.058 where: short stacking energy: -648.222 Base-Backbone interact. energy: -1.733 local terms energy: -743.600657 where: bonds (distance) C4'-P energy: -162.648 bonds (distance) P-C4' energy: -146.265 flat angles C4'-P-C4' energy: -157.973 flat angles P-C4'-P energy: -89.768 tors. eta vs tors. theta energy: -186.946 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: 5 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2141.283945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.283945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.283945 (E_RNA) where: Base-Base interactions energy: -1458.732 where: short stacking energy: -642.657 Base-Backbone interact. energy: 0.643 local terms energy: -683.195445 where: bonds (distance) C4'-P energy: -122.875 bonds (distance) P-C4' energy: -150.929 flat angles C4'-P-C4' energy: -160.841 flat angles P-C4'-P energy: -80.041 tors. eta vs tors. theta energy: -168.510 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: 8 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1855.343692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.343692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.343692 (E_RNA) where: Base-Base interactions energy: -1202.514 where: short stacking energy: -531.332 Base-Backbone interact. energy: -2.428 local terms energy: -650.402360 where: bonds (distance) C4'-P energy: -140.503 bonds (distance) P-C4' energy: -143.881 flat angles C4'-P-C4' energy: -144.367 flat angles P-C4'-P energy: -87.356 tors. eta vs tors. theta energy: -134.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1464.284288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.284288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.284288 (E_RNA) where: Base-Base interactions energy: -880.385 where: short stacking energy: -414.314 Base-Backbone interact. energy: -0.839 local terms energy: -583.060187 where: bonds (distance) C4'-P energy: -131.633 bonds (distance) P-C4' energy: -148.959 flat angles C4'-P-C4' energy: -145.740 flat angles P-C4'-P energy: -88.721 tors. eta vs tors. theta energy: -68.008 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: 6 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1046.409511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.409511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.409511 (E_RNA) where: Base-Base interactions energy: -577.578 where: short stacking energy: -312.181 Base-Backbone interact. energy: -4.171 local terms energy: -464.660688 where: bonds (distance) C4'-P energy: -132.348 bonds (distance) P-C4' energy: -141.464 flat angles C4'-P-C4' energy: -109.145 flat angles P-C4'-P energy: -60.294 tors. eta vs tors. theta energy: -21.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -745.304530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.304530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.304530 (E_RNA) where: Base-Base interactions energy: -316.517 where: short stacking energy: -199.954 Base-Backbone interact. energy: -0.135 local terms energy: -428.652817 where: bonds (distance) C4'-P energy: -125.458 bonds (distance) P-C4' energy: -143.924 flat angles C4'-P-C4' energy: -116.568 flat angles P-C4'-P energy: -44.437 tors. eta vs tors. theta energy: 1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2940.946462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.946462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.946462 (E_RNA) where: Base-Base interactions energy: -2021.956 where: short stacking energy: -846.337 Base-Backbone interact. energy: -3.286 local terms energy: -915.704532 where: bonds (distance) C4'-P energy: -158.004 bonds (distance) P-C4' energy: -167.742 flat angles C4'-P-C4' energy: -201.425 flat angles P-C4'-P energy: -131.121 tors. eta vs tors. theta energy: -257.413 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: 3 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2792.038844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.038844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.038844 (E_RNA) where: Base-Base interactions energy: -1946.165 where: short stacking energy: -796.443 Base-Backbone interact. energy: -3.952 local terms energy: -841.920931 where: bonds (distance) C4'-P energy: -149.398 bonds (distance) P-C4' energy: -174.062 flat angles C4'-P-C4' energy: -176.197 flat angles P-C4'-P energy: -126.774 tors. eta vs tors. theta energy: -215.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2748.340644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.340644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.340644 (E_RNA) where: Base-Base interactions energy: -1894.613 where: short stacking energy: -832.710 Base-Backbone interact. energy: -0.904 local terms energy: -852.823764 where: bonds (distance) C4'-P energy: -155.012 bonds (distance) P-C4' energy: -152.537 flat angles C4'-P-C4' energy: -179.435 flat angles P-C4'-P energy: -112.878 tors. eta vs tors. theta energy: -252.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2451.782378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.782378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.782378 (E_RNA) where: Base-Base interactions energy: -1669.454 where: short stacking energy: -713.790 Base-Backbone interact. energy: 0.191 local terms energy: -782.519531 where: bonds (distance) C4'-P energy: -164.279 bonds (distance) P-C4' energy: -144.602 flat angles C4'-P-C4' energy: -167.520 flat angles P-C4'-P energy: -107.271 tors. eta vs tors. theta energy: -198.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2306.347140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.347140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.347140 (E_RNA) where: Base-Base interactions energy: -1552.526 where: short stacking energy: -644.675 Base-Backbone interact. energy: 0.055 local terms energy: -753.875942 where: bonds (distance) C4'-P energy: -155.102 bonds (distance) P-C4' energy: -150.225 flat angles C4'-P-C4' energy: -170.793 flat angles P-C4'-P energy: -100.051 tors. eta vs tors. theta energy: -177.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2126.024093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.024093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.024093 (E_RNA) where: Base-Base interactions energy: -1419.277 where: short stacking energy: -627.790 Base-Backbone interact. energy: -4.263 local terms energy: -702.484710 where: bonds (distance) C4'-P energy: -139.608 bonds (distance) P-C4' energy: -136.862 flat angles C4'-P-C4' energy: -159.202 flat angles P-C4'-P energy: -99.251 tors. eta vs tors. theta energy: -167.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1826.255902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.255902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.255902 (E_RNA) where: Base-Base interactions energy: -1183.138 where: short stacking energy: -532.688 Base-Backbone interact. energy: -0.984 local terms energy: -642.133835 where: bonds (distance) C4'-P energy: -123.100 bonds (distance) P-C4' energy: -151.749 flat angles C4'-P-C4' energy: -144.447 flat angles P-C4'-P energy: -90.696 tors. eta vs tors. theta energy: -132.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1444.783347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.783347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.783347 (E_RNA) where: Base-Base interactions energy: -899.681 where: short stacking energy: -404.692 Base-Backbone interact. energy: -3.694 local terms energy: -541.408706 where: bonds (distance) C4'-P energy: -130.475 bonds (distance) P-C4' energy: -143.749 flat angles C4'-P-C4' energy: -136.256 flat angles P-C4'-P energy: -68.646 tors. eta vs tors. theta energy: -62.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1015.704469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.704469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.704469 (E_RNA) where: Base-Base interactions energy: -522.758 where: short stacking energy: -271.642 Base-Backbone interact. energy: -3.487 local terms energy: -489.459474 where: bonds (distance) C4'-P energy: -125.522 bonds (distance) P-C4' energy: -161.349 flat angles C4'-P-C4' energy: -132.147 flat angles P-C4'-P energy: -71.617 tors. eta vs tors. theta energy: 1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -718.592310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.592310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.592310 (E_RNA) where: Base-Base interactions energy: -307.698 where: short stacking energy: -216.025 Base-Backbone interact. energy: -1.146 local terms energy: -409.748497 where: bonds (distance) C4'-P energy: -131.749 bonds (distance) P-C4' energy: -134.092 flat angles C4'-P-C4' energy: -92.421 flat angles P-C4'-P energy: -72.999 tors. eta vs tors. theta energy: 21.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2901.426342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.426342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.426342 (E_RNA) where: Base-Base interactions energy: -2002.263 where: short stacking energy: -845.809 Base-Backbone interact. energy: 2.204 local terms energy: -901.367986 where: bonds (distance) C4'-P energy: -162.911 bonds (distance) P-C4' energy: -160.931 flat angles C4'-P-C4' energy: -192.389 flat angles P-C4'-P energy: -131.064 tors. eta vs tors. theta energy: -254.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2797.394650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.394650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.394650 (E_RNA) where: Base-Base interactions energy: -1944.466 where: short stacking energy: -791.183 Base-Backbone interact. energy: -6.345 local terms energy: -846.583672 where: bonds (distance) C4'-P energy: -169.151 bonds (distance) P-C4' energy: -165.812 flat angles C4'-P-C4' energy: -174.039 flat angles P-C4'-P energy: -114.112 tors. eta vs tors. theta energy: -223.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2704.010073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.010073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.010073 (E_RNA) where: Base-Base interactions energy: -1859.752 where: short stacking energy: -808.232 Base-Backbone interact. energy: 1.091 local terms energy: -845.348807 where: bonds (distance) C4'-P energy: -153.910 bonds (distance) P-C4' energy: -160.473 flat angles C4'-P-C4' energy: -173.153 flat angles P-C4'-P energy: -112.103 tors. eta vs tors. theta energy: -245.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2484.529440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.529440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.529440 (E_RNA) where: Base-Base interactions energy: -1707.523 where: short stacking energy: -739.815 Base-Backbone interact. energy: -3.176 local terms energy: -773.829547 where: bonds (distance) C4'-P energy: -144.173 bonds (distance) P-C4' energy: -139.341 flat angles C4'-P-C4' energy: -182.229 flat angles P-C4'-P energy: -105.251 tors. eta vs tors. theta energy: -202.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2281.484777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.484777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.484777 (E_RNA) where: Base-Base interactions energy: -1564.054 where: short stacking energy: -655.251 Base-Backbone interact. energy: 0.729 local terms energy: -718.159444 where: bonds (distance) C4'-P energy: -150.724 bonds (distance) P-C4' energy: -134.420 flat angles C4'-P-C4' energy: -145.433 flat angles P-C4'-P energy: -99.301 tors. eta vs tors. theta energy: -188.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2168.817845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.817845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.817845 (E_RNA) where: Base-Base interactions energy: -1463.063 where: short stacking energy: -615.535 Base-Backbone interact. energy: -0.926 local terms energy: -704.828390 where: bonds (distance) C4'-P energy: -133.476 bonds (distance) P-C4' energy: -149.594 flat angles C4'-P-C4' energy: -167.817 flat angles P-C4'-P energy: -95.011 tors. eta vs tors. theta energy: -158.930 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: 8 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1799.442988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.442988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.442988 (E_RNA) where: Base-Base interactions energy: -1199.948 where: short stacking energy: -525.655 Base-Backbone interact. energy: -1.344 local terms energy: -598.150672 where: bonds (distance) C4'-P energy: -104.018 bonds (distance) P-C4' energy: -143.155 flat angles C4'-P-C4' energy: -137.914 flat angles P-C4'-P energy: -83.381 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: 8, replica: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1426.891541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.891541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.891541 (E_RNA) where: Base-Base interactions energy: -873.757 where: short stacking energy: -379.492 Base-Backbone interact. energy: 0.721 local terms energy: -553.855704 where: bonds (distance) C4'-P energy: -140.321 bonds (distance) P-C4' energy: -115.583 flat angles C4'-P-C4' energy: -154.070 flat angles P-C4'-P energy: -82.291 tors. eta vs tors. theta energy: -61.591 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: 6 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1033.159310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.159310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.159310 (E_RNA) where: Base-Base interactions energy: -539.769 where: short stacking energy: -286.635 Base-Backbone interact. energy: 1.857 local terms energy: -495.247711 where: bonds (distance) C4'-P energy: -143.853 bonds (distance) P-C4' energy: -167.926 flat angles C4'-P-C4' energy: -109.733 flat angles P-C4'-P energy: -69.065 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -717.238648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.238648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.238648 (E_RNA) where: Base-Base interactions energy: -285.408 where: short stacking energy: -184.133 Base-Backbone interact. energy: 9.539 local terms energy: -441.369169 where: bonds (distance) C4'-P energy: -135.876 bonds (distance) P-C4' energy: -161.362 flat angles C4'-P-C4' energy: -119.593 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: 30.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2893.416009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.416009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.416009 (E_RNA) where: Base-Base interactions energy: -2007.769 where: short stacking energy: -878.060 Base-Backbone interact. energy: -3.670 local terms energy: -881.977380 where: bonds (distance) C4'-P energy: -160.129 bonds (distance) P-C4' energy: -167.383 flat angles C4'-P-C4' energy: -187.944 flat angles P-C4'-P energy: -122.056 tors. eta vs tors. theta energy: -244.466 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: 2, replica: 3 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2835.645515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.645515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.645515 (E_RNA) where: Base-Base interactions energy: -1978.420 where: short stacking energy: -830.951 Base-Backbone interact. energy: -4.903 local terms energy: -852.323011 where: bonds (distance) C4'-P energy: -152.735 bonds (distance) P-C4' energy: -160.261 flat angles C4'-P-C4' energy: -179.385 flat angles P-C4'-P energy: -125.199 tors. eta vs tors. theta energy: -234.743 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: 3, replica: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2717.109518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.109518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.109518 (E_RNA) where: Base-Base interactions energy: -1882.439 where: short stacking energy: -815.673 Base-Backbone interact. energy: -3.657 local terms energy: -831.013422 where: bonds (distance) C4'-P energy: -149.461 bonds (distance) P-C4' energy: -156.521 flat angles C4'-P-C4' energy: -193.342 flat angles P-C4'-P energy: -98.522 tors. eta vs tors. theta energy: -233.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2512.003545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.003545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.003545 (E_RNA) where: Base-Base interactions energy: -1704.682 where: short stacking energy: -763.783 Base-Backbone interact. energy: -0.837 local terms energy: -806.484218 where: bonds (distance) C4'-P energy: -150.170 bonds (distance) P-C4' energy: -156.410 flat angles C4'-P-C4' energy: -173.589 flat angles P-C4'-P energy: -108.173 tors. eta vs tors. theta energy: -218.142 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: 10 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2300.731813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.731813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.731813 (E_RNA) where: Base-Base interactions energy: -1560.912 where: short stacking energy: -669.172 Base-Backbone interact. energy: 3.476 local terms energy: -743.295390 where: bonds (distance) C4'-P energy: -138.004 bonds (distance) P-C4' energy: -159.551 flat angles C4'-P-C4' energy: -162.568 flat angles P-C4'-P energy: -99.132 tors. eta vs tors. theta energy: -184.041 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: 6, replica: 5 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2167.387049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.387049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.387049 (E_RNA) where: Base-Base interactions energy: -1451.360 where: short stacking energy: -627.044 Base-Backbone interact. energy: -2.295 local terms energy: -713.732553 where: bonds (distance) C4'-P energy: -146.026 bonds (distance) P-C4' energy: -136.737 flat angles C4'-P-C4' energy: -155.544 flat angles P-C4'-P energy: -101.022 tors. eta vs tors. theta energy: -174.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1764.817941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.817941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.817941 (E_RNA) where: Base-Base interactions energy: -1152.769 where: short stacking energy: -520.920 Base-Backbone interact. energy: -2.316 local terms energy: -609.733153 where: bonds (distance) C4'-P energy: -127.341 bonds (distance) P-C4' energy: -144.423 flat angles C4'-P-C4' energy: -145.551 flat angles P-C4'-P energy: -91.157 tors. eta vs tors. theta energy: -101.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1468.463862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.463862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.463862 (E_RNA) where: Base-Base interactions energy: -900.690 where: short stacking energy: -397.444 Base-Backbone interact. energy: -1.973 local terms energy: -565.801039 where: bonds (distance) C4'-P energy: -135.788 bonds (distance) P-C4' energy: -138.238 flat angles C4'-P-C4' energy: -169.975 flat angles P-C4'-P energy: -68.396 tors. eta vs tors. theta energy: -53.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1038.002880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.002880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.002880 (E_RNA) where: Base-Base interactions energy: -582.922 where: short stacking energy: -276.773 Base-Backbone interact. energy: 2.397 local terms energy: -457.478202 where: bonds (distance) C4'-P energy: -120.368 bonds (distance) P-C4' energy: -136.568 flat angles C4'-P-C4' energy: -107.330 flat angles P-C4'-P energy: -79.138 tors. eta vs tors. theta energy: -14.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -723.225628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.225628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.225628 (E_RNA) where: Base-Base interactions energy: -301.790 where: short stacking energy: -203.661 Base-Backbone interact. energy: 3.046 local terms energy: -424.481333 where: bonds (distance) C4'-P energy: -103.412 bonds (distance) P-C4' energy: -162.910 flat angles C4'-P-C4' energy: -114.699 flat angles P-C4'-P energy: -64.176 tors. eta vs tors. theta energy: 20.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2880.779182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.779182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.779182 (E_RNA) where: Base-Base interactions energy: -1987.503 where: short stacking energy: -849.880 Base-Backbone interact. energy: -0.904 local terms energy: -892.372825 where: bonds (distance) C4'-P energy: -152.750 bonds (distance) P-C4' energy: -167.399 flat angles C4'-P-C4' energy: -200.256 flat angles P-C4'-P energy: -123.666 tors. eta vs tors. theta energy: -248.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2826.176586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.176586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.176586 (E_RNA) where: Base-Base interactions energy: -1971.597 where: short stacking energy: -825.413 Base-Backbone interact. energy: -3.739 local terms energy: -850.840859 where: bonds (distance) C4'-P energy: -143.674 bonds (distance) P-C4' energy: -164.253 flat angles C4'-P-C4' energy: -186.503 flat angles P-C4'-P energy: -121.489 tors. eta vs tors. theta energy: -234.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2733.726545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.726545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.726545 (E_RNA) where: Base-Base interactions energy: -1888.223 where: short stacking energy: -801.789 Base-Backbone interact. energy: -2.880 local terms energy: -842.624090 where: bonds (distance) C4'-P energy: -141.489 bonds (distance) P-C4' energy: -155.446 flat angles C4'-P-C4' energy: -188.659 flat angles P-C4'-P energy: -111.140 tors. eta vs tors. theta energy: -245.890 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: 7 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2519.018488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.018488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.018488 (E_RNA) where: Base-Base interactions energy: -1719.129 where: short stacking energy: -745.227 Base-Backbone interact. energy: 8.639 local terms energy: -808.528520 where: bonds (distance) C4'-P energy: -151.662 bonds (distance) P-C4' energy: -150.162 flat angles C4'-P-C4' energy: -168.840 flat angles P-C4'-P energy: -119.242 tors. eta vs tors. theta energy: -218.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2273.279847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.279847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.279847 (E_RNA) where: Base-Base interactions energy: -1504.365 where: short stacking energy: -648.959 Base-Backbone interact. energy: -2.045 local terms energy: -766.869560 where: bonds (distance) C4'-P energy: -139.392 bonds (distance) P-C4' energy: -159.392 flat angles C4'-P-C4' energy: -178.594 flat angles P-C4'-P energy: -99.637 tors. eta vs tors. theta energy: -189.855 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: 6, replica: 5 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2141.771110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.771110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.771110 (E_RNA) where: Base-Base interactions energy: -1438.226 where: short stacking energy: -600.442 Base-Backbone interact. energy: -3.025 local terms energy: -700.520456 where: bonds (distance) C4'-P energy: -132.100 bonds (distance) P-C4' energy: -143.275 flat angles C4'-P-C4' energy: -169.752 flat angles P-C4'-P energy: -81.834 tors. eta vs tors. theta energy: -173.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1782.528229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.528229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.528229 (E_RNA) where: Base-Base interactions energy: -1142.485 where: short stacking energy: -497.015 Base-Backbone interact. energy: -3.726 local terms energy: -636.316911 where: bonds (distance) C4'-P energy: -133.894 bonds (distance) P-C4' energy: -146.529 flat angles C4'-P-C4' energy: -165.497 flat angles P-C4'-P energy: -92.481 tors. eta vs tors. theta energy: -97.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1416.405050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.405050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.405050 (E_RNA) where: Base-Base interactions energy: -891.428 where: short stacking energy: -404.780 Base-Backbone interact. energy: -4.191 local terms energy: -520.786508 where: bonds (distance) C4'-P energy: -128.812 bonds (distance) P-C4' energy: -127.597 flat angles C4'-P-C4' energy: -141.872 flat angles P-C4'-P energy: -54.743 tors. eta vs tors. theta energy: -67.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1066.783274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.783274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.783274 (E_RNA) where: Base-Base interactions energy: -596.596 where: short stacking energy: -295.085 Base-Backbone interact. energy: -1.855 local terms energy: -468.332253 where: bonds (distance) C4'-P energy: -136.802 bonds (distance) P-C4' energy: -133.243 flat angles C4'-P-C4' energy: -129.720 flat angles P-C4'-P energy: -61.635 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -693.767840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.767840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.767840 (E_RNA) where: Base-Base interactions energy: -302.130 where: short stacking energy: -200.341 Base-Backbone interact. energy: -3.394 local terms energy: -388.244338 where: bonds (distance) C4'-P energy: -126.198 bonds (distance) P-C4' energy: -125.960 flat angles C4'-P-C4' energy: -120.620 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: 28.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2884.903821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.903821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.903821 (E_RNA) where: Base-Base interactions energy: -2011.356 where: short stacking energy: -880.720 Base-Backbone interact. energy: 4.301 local terms energy: -877.848964 where: bonds (distance) C4'-P energy: -151.522 bonds (distance) P-C4' energy: -155.045 flat angles C4'-P-C4' energy: -195.301 flat angles P-C4'-P energy: -130.456 tors. eta vs tors. theta energy: -245.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2816.255418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.255418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.255418 (E_RNA) where: Base-Base interactions energy: -1951.460 where: short stacking energy: -821.808 Base-Backbone interact. energy: 2.910 local terms energy: -867.705437 where: bonds (distance) C4'-P energy: -174.438 bonds (distance) P-C4' energy: -150.916 flat angles C4'-P-C4' energy: -183.626 flat angles P-C4'-P energy: -110.494 tors. eta vs tors. theta energy: -248.232 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: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2746.292849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.292849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.292849 (E_RNA) where: Base-Base interactions energy: -1918.707 where: short stacking energy: -801.689 Base-Backbone interact. energy: -2.704 local terms energy: -824.882066 where: bonds (distance) C4'-P energy: -147.979 bonds (distance) P-C4' energy: -149.729 flat angles C4'-P-C4' energy: -189.519 flat angles P-C4'-P energy: -116.797 tors. eta vs tors. theta energy: -220.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2543.770924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.770924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.770924 (E_RNA) where: Base-Base interactions energy: -1753.602 where: short stacking energy: -766.359 Base-Backbone interact. energy: -1.938 local terms energy: -788.230918 where: bonds (distance) C4'-P energy: -154.720 bonds (distance) P-C4' energy: -152.507 flat angles C4'-P-C4' energy: -164.608 flat angles P-C4'-P energy: -100.469 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: 5, replica: 10 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2316.147619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.147619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.147619 (E_RNA) where: Base-Base interactions energy: -1545.100 where: short stacking energy: -675.621 Base-Backbone interact. energy: -3.579 local terms energy: -767.469185 where: bonds (distance) C4'-P energy: -143.062 bonds (distance) P-C4' energy: -145.355 flat angles C4'-P-C4' energy: -169.980 flat angles P-C4'-P energy: -110.726 tors. eta vs tors. theta energy: -198.347 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: 5 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2162.550728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.550728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.550728 (E_RNA) where: Base-Base interactions energy: -1464.411 where: short stacking energy: -609.791 Base-Backbone interact. energy: 4.604 local terms energy: -702.743629 where: bonds (distance) C4'-P energy: -133.013 bonds (distance) P-C4' energy: -153.035 flat angles C4'-P-C4' energy: -150.869 flat angles P-C4'-P energy: -109.544 tors. eta vs tors. theta energy: -156.282 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: 7, replica: 8 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1758.372401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.372401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.372401 (E_RNA) where: Base-Base interactions energy: -1139.441 where: short stacking energy: -532.611 Base-Backbone interact. energy: -3.556 local terms energy: -615.374968 where: bonds (distance) C4'-P energy: -136.722 bonds (distance) P-C4' energy: -129.221 flat angles C4'-P-C4' energy: -141.714 flat angles P-C4'-P energy: -90.860 tors. eta vs tors. theta energy: -116.857 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: 4 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1437.483909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.483909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.483909 (E_RNA) where: Base-Base interactions energy: -898.613 where: short stacking energy: -393.359 Base-Backbone interact. energy: -2.505 local terms energy: -536.365842 where: bonds (distance) C4'-P energy: -129.456 bonds (distance) P-C4' energy: -146.239 flat angles C4'-P-C4' energy: -131.258 flat angles P-C4'-P energy: -81.063 tors. eta vs tors. theta energy: -48.350 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: 6 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1088.356464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.356464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.356464 (E_RNA) where: Base-Base interactions energy: -587.563 where: short stacking energy: -304.621 Base-Backbone interact. energy: 0.381 local terms energy: -501.174829 where: bonds (distance) C4'-P energy: -145.174 bonds (distance) P-C4' energy: -160.192 flat angles C4'-P-C4' energy: -123.094 flat angles P-C4'-P energy: -55.664 tors. eta vs tors. theta energy: -17.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -759.133291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.133291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.133291 (E_RNA) where: Base-Base interactions energy: -362.090 where: short stacking energy: -244.485 Base-Backbone interact. energy: 7.030 local terms energy: -404.073075 where: bonds (distance) C4'-P energy: -119.252 bonds (distance) P-C4' energy: -138.564 flat angles C4'-P-C4' energy: -88.064 flat angles P-C4'-P energy: -66.590 tors. eta vs tors. theta energy: 8.397 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: 1, replica: 1 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2868.472905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.472905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.472905 (E_RNA) where: Base-Base interactions energy: -1988.305 where: short stacking energy: -837.069 Base-Backbone interact. energy: -2.502 local terms energy: -877.665677 where: bonds (distance) C4'-P energy: -147.775 bonds (distance) P-C4' energy: -178.903 flat angles C4'-P-C4' energy: -187.796 flat angles P-C4'-P energy: -127.247 tors. eta vs tors. theta energy: -235.945 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: 2 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2809.099883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.099883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.099883 (E_RNA) where: Base-Base interactions energy: -1919.673 where: short stacking energy: -824.575 Base-Backbone interact. energy: -3.029 local terms energy: -886.397813 where: bonds (distance) C4'-P energy: -160.318 bonds (distance) P-C4' energy: -167.791 flat angles C4'-P-C4' energy: -182.768 flat angles P-C4'-P energy: -118.455 tors. eta vs tors. theta energy: -257.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2735.900098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.900098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.900098 (E_RNA) where: Base-Base interactions energy: -1906.629 where: short stacking energy: -777.600 Base-Backbone interact. energy: -4.614 local terms energy: -824.656780 where: bonds (distance) C4'-P energy: -149.633 bonds (distance) P-C4' energy: -150.097 flat angles C4'-P-C4' energy: -173.777 flat angles P-C4'-P energy: -118.960 tors. eta vs tors. theta energy: -232.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2494.502684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.502684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.502684 (E_RNA) where: Base-Base interactions energy: -1691.412 where: short stacking energy: -733.464 Base-Backbone interact. energy: -3.464 local terms energy: -799.626597 where: bonds (distance) C4'-P energy: -138.955 bonds (distance) P-C4' energy: -156.667 flat angles C4'-P-C4' energy: -174.604 flat angles P-C4'-P energy: -121.222 tors. eta vs tors. theta energy: -208.179 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: 10 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2338.677386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.677386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.677386 (E_RNA) where: Base-Base interactions energy: -1569.662 where: short stacking energy: -679.995 Base-Backbone interact. energy: -0.356 local terms energy: -768.659715 where: bonds (distance) C4'-P energy: -128.195 bonds (distance) P-C4' energy: -152.874 flat angles C4'-P-C4' energy: -185.254 flat angles P-C4'-P energy: -111.925 tors. eta vs tors. theta energy: -190.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2188.126912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.126912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.126912 (E_RNA) where: Base-Base interactions energy: -1485.709 where: short stacking energy: -610.094 Base-Backbone interact. energy: -1.231 local terms energy: -701.187375 where: bonds (distance) C4'-P energy: -131.734 bonds (distance) P-C4' energy: -142.453 flat angles C4'-P-C4' energy: -160.560 flat angles P-C4'-P energy: -101.783 tors. eta vs tors. theta energy: -164.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1768.251375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.251375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.251375 (E_RNA) where: Base-Base interactions energy: -1126.576 where: short stacking energy: -517.625 Base-Backbone interact. energy: -2.309 local terms energy: -639.366624 where: bonds (distance) C4'-P energy: -135.147 bonds (distance) P-C4' energy: -135.631 flat angles C4'-P-C4' energy: -176.066 flat angles P-C4'-P energy: -74.512 tors. eta vs tors. theta energy: -118.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1492.047612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.047612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.047612 (E_RNA) where: Base-Base interactions energy: -942.224 where: short stacking energy: -415.411 Base-Backbone interact. energy: 6.614 local terms energy: -556.438137 where: bonds (distance) C4'-P energy: -136.968 bonds (distance) P-C4' energy: -140.392 flat angles C4'-P-C4' energy: -164.260 flat angles P-C4'-P energy: -49.635 tors. eta vs tors. theta energy: -65.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1074.396512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.396512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.396512 (E_RNA) where: Base-Base interactions energy: -555.884 where: short stacking energy: -284.274 Base-Backbone interact. energy: -0.515 local terms energy: -517.997344 where: bonds (distance) C4'-P energy: -150.449 bonds (distance) P-C4' energy: -136.698 flat angles C4'-P-C4' energy: -113.266 flat angles P-C4'-P energy: -83.464 tors. eta vs tors. theta energy: -34.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -742.931092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.931092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.931092 (E_RNA) where: Base-Base interactions energy: -355.593 where: short stacking energy: -223.193 Base-Backbone interact. energy: 3.785 local terms energy: -391.122864 where: bonds (distance) C4'-P energy: -95.353 bonds (distance) P-C4' energy: -139.983 flat angles C4'-P-C4' energy: -116.214 flat angles P-C4'-P energy: -81.945 tors. eta vs tors. theta energy: 42.372 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) out arg RESULTS//1/Domain2_MIR31HG-f90ba90c_01 DONE DONE